Research with Photons, Neutrons and Ions (PNI)

Transcription

1 Research Field Structure of Matter Proposal for a Helmholtz Research Programme Research with Photons, Neutrons and Ions (PNI) of the Helmholtz Centres Deutsches Elektronen-Synchrotron DESY Forschungszentrum Jülich Forschungszentrum Karlsruhe GKSS-Forschungszentrum Geesthacht GSI Helmholtzzentrum für Schwerionenforschung Helmholtz-Zentrum Berlin für Materialien und Energie I Coordinating Centre: GKSS-Forschungszentrum Geesthacht

2 Single shot coherent diffractive image of an artificial test structure on a SiN-membrane at FLASH. The photon pulse length was less then 50 fs and the wavelength ~ 30 nm. The inset shows the reconstructed object. This experiment showed for the first time that by ultra short and intense FEL pulses structural information can be obtained even if the sample is destroyed after the exposure. Spin structure of the {Mo 72 Fe 30 } Keplerate molecular magnet with high geometrical frustration. Neutron scattering is the only method to determine such complex spin structures and the corresponding spin fluctuations. The picture shows nanowires created by etching tracks into a polymer template with energetic heavy ions and subsequently electrochemically filling the tracks with a metal. Due to the enormous surface of millions of nanowires, the resulting structure constitutes a miniaturized device suitable for sensor applications on the micrometer scale.

3 Research Field Structure of Matter Proposal for a Helmholtz Research Programme Research with Photons, Neutrons and Ions (PNI) of the Helmholtz Centres Deutsches Elektronen-Synchrotron (DESY) Forschungszentrum Jülich (FZJ) Forschungszentrum Karlsruhe (FZK) GKSS-Forschungszentrum Geesthacht (GKSS) GSI Helmholtzzentrum für Schwerionenforschung (GSI) Helmholtz-Zentrum Berlin für Materialien und Energie (HZB) Programme spokesperson: Prof. Dr. Andreas Schreyer Coordinating Centre: GKSS Coordinator of the Research Field: Prof. Dr. Albrecht Wagner, DESY (until ) Prof. Dr. Horst Stöcker, GSI (from )

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5 Helmholtz Association Mission Statement We contribute to solving grand challenges which face society, science and industry by performing top-rate research in strategic programmes in the fields of Energy, Earth and Environment, Health, Key Technologies, Structure of Matter, Aeronautics, Space and Transportation We research systems of great complexity with our large-scale facilities and scientific infrastructure, cooperating closely with national and international partners. We contribute to shaping our future by combining research and technology development with perspectives for innovative applications and provisions for tomorrow s world.

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7 Participating centres: Deutsches Elektronen-Synchrotron (DESY) Prof. Dr. Albrecht Wagner (bis ) Prof. Dr. Helmut Dosch (ab ) Notkestr Hamburg Tel.: /2408 Fax: Forschungszentrum Jülich (FZJ) Dr. Sebastian M. Schmidt Wilhelm-Johnen-Str Jülich Tel.: Fax: Forschungszentrum Karlsruhe (FZK) Prof. Dr. Eberhard Umbach Hermann-von-Helmholtz-Platz Eggenstein-Leopoldshafen Tel.: Fax: eberhard.umbach@vorstand.fzk.de GKSS-Forschungszentrum Geesthacht (GKSS) Prof. Dr. Wolfgang Kaysser Max-Planck-Str Geesthacht Tel.: Fax: wolfgang.kaysser@gkss.de GSI Helmholtzzentrum für Schwerionenforschung (GSI) Prof. Dr. Horst Stöcker Planckstr Darmstadt Tel.: Fax: H.Stoecker@gsi.de Helmholtz-Zentrum Berlin für Materialien und Energie (HZB) Prof. Dr. Anke Pyzalla Glienicker Str Berlin Tel.: Fax: anke.pyzalla@helmholtz-berlin.de

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9 Contents Contents THE RESEARCH FIELD STRUCTURE OF MATTER... I THE PROGRAMME RESEARCH WITH PHOTONS, NEUTRONS AND IONS (PNI) Strategic significance Overview of the programme Status quo of the programme s scientific context Introduction to programme topics Current and previous activities leading up to the proposed programme Expected outcomes or contributions to solving grand challenges Position of the programme in the context of international strategies Important external contributions to the programme Contribution to other programmes or to other joint cross-programme initiatives Cooperation within the programme Organisation of the programme Important infrastructures used or offered by the programme Proposed resources of the programme topics Additional resource-related information Overview about third party funding Potential developments anticipated for the programme period, future outlook High Data Rate Processing and Analysis Initiative Large investment (>2.5 M ) proposals planned Planned programme topics Photons Introduction to the topic Large-scale facility ANKA Large-scale facility BESSY II Large-scale facility DORIS III Large-scale facility PETRA III GEMS-P Large-scale facility FLASH DESY-participation in XFEL Neutrons Introduction to the topic Large-scale facility FRG GEMS-N Large-scale facility BER II JCNS Ions Introduction to the topic Accelerator facilities at GSI GSI-participation in FAIR In-house Research with PNI Introduction to the topic Atoms, molecules and plasmas (DESY, GSI) Magnetism and highly correlated electron systems (DESY, FZJ, GKSS, HZB) Engineering Materials (GKSS, HZB) Micro and Nano Science and Technology (DESY, FZK, GSI, HZB) Soft Matter and Life Science (DESY, FZJ, GKSS, GSI, HZB) Summary of proposed costs of the programme topics... 94

10 Contents 3 Competence provided by the participating centres Profiles of participating centres DESY FZJ FZK GKSS GSI HZB Evidence of scientific quality and relevance of previous work Quantitative indicators of DESY Quantitative indicators of FZJ Quantitative indicators of FZK Quantitative indicators of GKSS Quantitative indicators of GSI Quantitative indicators of HZB Sum of the parts of the centres List of abbreviations Programme resources Performance indicators for large-scale facilities References for In-House Research, Section Publications of the centres as well as CVs and publication lists of the principal investigators and key researchers are provided on a CD-ROM.

11 The Research Field Structure of Matter The Research Field Structure of Matter Coordinator of the Research Field: Prof. Dr. Albrecht Wagner (DESY) Participating Helmholtz Centres: DESY, FZJ, FZK, GKSS, GSI, HZB I. Challenges The challenges of this Research Field consist of Understanding the structure and dynamics of matter on entirely different scales of length and time, including the building blocks of matter and the fundamental forces as well as processes in the universe at the highest energies and the development of cosmic structures. Research on fundamental phenomena in condensed matter, plasmas, and in atoms, molecules and clusters, as well as on the structure and function of complex materials up to biomolecules. This fundamental research is guided by gaining knowledge and simultaneously yields a number of incentives for technological development. The investigation of the structure of matter requires high-technology infrastructures that are developed, built, operated and used together with national or international partners. A core task of the Helmholtz Centres is The development of the required large-scale facilities and technical and scientific infrastructures and their construction, operation and scientific exploitation, as well as participation in large international projects. The Research Field is responsible for large-scale facilities that are often unique worldwide. It therefore makes a key contribution to implementing the large-scale facility goal in the mission of the Helmholtz Association, and in doing so it contributes critically to strengthening international visibility. The large-scale facilities are used by the Helmholtz Centres for their own research, but are available mostly to several thousand external users, from Germany and abroad. The programme development of the Research Field "Structure of Matter" in the years will be characterized mainly by the following aspects: Research in the programmes elementary particle physics, astroparticle physics, hadrons and nuclei, as well as research with photons, neutrons and ions in large-scale facilities. Construction of two major European projects FAIR (Facility for Antiproton and Ion Research) at the GSI and XFEL (X-ray-Free Electron Laser) in cooperation with DESY. Strengthening the Research Field by integrating BESSY II after the merging of BESSY and HMI to form the Helmholtz-Zentrum Berlin für Materialien und Energie (HZB). By this integration the Helmholtz Association provides the entire spectrum of synchrotron radiation in one organisation. Participation in the use of the research neutron source FRM II in Garching. This will significantly strengthen the research with intense neutron beams. Change of the programme structure: the programme "Condensed Matter" will be transferred to the Research Area Key Technologies. In-house research in the programme "Photons, Neutrons, and Ions" will be further strengthened. II. Structure and goals of the research field The Research Field is structured into four programmes focusing on the following scientific objectives for the funding period Research into the building blocks of matter and in cosmology are geared toward a comprehensive and quantitative understanding of matter and forces as well as the principles I

12 The Research Field Structure of Matter that link the smallest particles in the universe to the largest structures of the cosmos. Elementary particle physics, hadron and nuclear physics, and astroparticle physics provide answers to the central questions of current research, such as explaining the origin of mass, detecting particles that are not part of the Standard Model, determining the fundamental properties of nuclear matter, or explaining the origin and nature of cosmic radiation. The programme "Elementary Particle Physics" investigates the building blocks of matter and the forces that act between them and searches for new forms of matter and the laws that have determined the development of the early universe. The programme "Astroparticle Physics" is an area of research at the interface of astronomy, astrophysics, cosmology, and particle physics. The subjects of research extend from the origin and properties of cosmic radiation to the determination of the neutrino mass. The programme "Physics of Hadrons and Nuclei" strives for a fundamental and deepened understanding of matter consisting of quarks and gluons. This matter includes atomic nuclei and their components, protons and neutrons, but also the quark-gluon plasma, which played an important role in the early phase of the universe. The programme "Photons, Neutrons, and Ions (PNI)" includes the construction and operation of complex large-scale facilities and a broad spectrum of research into the properties of condensed matter and complex materials, plasmas, atoms, molecules, and clusters, which became only possible with these instruments. Starting from physics questions, experimental and theoretical activities are increasingly directed toward problems in soft condensed matter, biology, and medicine. Understanding the structure and dynamics, the ordering mechanisms and electronic and magnetic properties in systems on nanometer scales is at the centre of interest. In the PNI programme, the connection between fundamental scientific questions and possible applications as well as the interaction of different scientific and technical disciplines will be emphasized in particular. Photons, neutrons, and ions in these studies are complementary tools. Further development of instruments (from particle sources to sample environments) opens up a path to a deeper understanding of matter. The programme topic "Photons" is clearly marked by the construction and scientific use of the European XFEL, the Free Electron Laser FLASH and the storage ring PETRA III at DESY. In addition to the existing facilities DORIS and ANKA, BESSY will also be integrated as an additional photon source in the Helmholtz Association. The programme topic "Neutrons" is characterized by an intensified involvement in FRM II, operation of the Berlin neutron-source BER II and the extreme sample environments available there, and intense utilization of the foreign site at SNS in Oak Ridge. For the programme topic "Ions," the ion trap facility HITRAP and the Petawatt laser PHELIX and ISL beamlines at GSI will be fully available. A special emphasis will be given to the development of PNI-relevant installations at FAIR for experiments with highly-charged ions and antiprotons. III. Competences and steps The most important competences and next steps of the four programmes are summarized below. "Elementary Particle Physics" programme DESY one of the worldwide leading centres in particle physics will no longer operate its own large accelerators in the coming programme period. The goal of the programme is to ensure the future international competitiveness of German particle physics. II

13 The Research Field Structure of Matter Strong participation in two of the Large Hadron Collider (LHC) experiments (ATLAS and CMS). At the same time, the precision analyses of the HERA experiments will be concluded, whose results are also of great significance for the LHC analyses. Further expansion of the Karlsruhe grid computing centre (GridKa) at FZK, an international data and high-performance computer centre (Tier1), as well as the Tier2 centre (ATLAS, CMS, LHCb) and the analysis centre at DESY. Theoretical studies in close connection with experimental activity as well as research in areas at the interface of particle and astroparticle physics and in the field of string theory. The lattice-gauge theory, including R&D for novel high-performance computers, will be continued at the Zeuthen site in close cooperation with the activities at the John von Neumann Institute. Cooperation in further development of superconducting accelerator technology for the International Linear Collider (ILC), in which DESY plays a leading role worldwide. This follows the European Strategy for Particle Physics. Synergies between XFEL and ILC will be exploited. Detector development for a luminosity-upgraded LHC and for precision experiments at the ILC, contributions to development of detectors for the XFEL. An essential instrument in the implementation of this programme is the Helmholtz alliance "Physics at the Terascale." This alliance with 17 German university groups, Forschungszentrum Karlsruhe, and the Max-Planck Institute for Physics combines the forces and complementary excellence in all essential fields into a long-term structure. The programme is consistent with the European Strategy for Particle Physics, which is part of the ESFRI Roadmap. Participating Helmholtz Centres: DESY, FZK "Astroparticle Physics" programme Measurements with the Pierre Auger Observatory, which is already recording data of the highest quality, will be continued, and the plan to expand the measurements to the entire sky will be further pursued. Accompanying research includes the radiodetection of cosmicray showers and multi-messenger analyses. The IceCube neutrino telescope will be completed and therefore guarantees plenty of results in the next programme period, including the new aspect of multi-messenger analysis, the combination of neutrino astronomy with particle and gamma astronomy. In this context DESY is participating in the preparatory work for the Cherenkov Telescope Array (CTA). The search for Dark Matter is gaining further significance through new astronomical observations. It is planned to become a strategic field through a leading role of Forschungszentrum Karlsruhe in the European project EURECA. The KATRIN experiment will conduct its measurements in the next programme periode. The experiment is unique worldwide and of great significance, since it has the highest sensitivity on measuring the neutrino mass or setting the best limits. Theoretical work in astroparticle physics will be conducted in close cooperation with the Universities of Potsdam and Karlsruhe. The programme is consistent with the Roadmap of European astroparticle physics. Participating Helmholtz centres: FZK, DESY III

14 The Research Field Structure of Matter "Hadron and Nuclear Physics" programme Leading participation in the international FAIR project at GSI. This unique accelerator complex is being built by GSI and FZJ together with national and international partners and will be operating from 2013 on. Participation in the planning, construction, and use of experiments at FAIR. Implementation of a focused experimental programme at GSI and COSY, exploiting their unique capabilities and leading towards FAIR. This is complemented by technical developments such as phase-space cooling and polarization of antiprotons at FAIR. Exploitation by GSI, together with the German universities, of the ALICE detector in the Heavy Ion programme of LHC at CERN. Construction and operation of a high-performance Tier2 centre for ALICE at GSI. Strengthening the theoretical activities of the programme with respect to physics at ALICE and FAIR and for future hadron physics. Operation of EMMI (Extreme Matter Institute) in the framework of the Helmholtz Alliance "Extreme Densities and Temperatures: Cosmic Matter in the Laboratory", aiming at developing common approaches for research on matter under extreme conditions (density and temperature) in the fields of hadron and nuclear physics, atomic physics, plasma research, and astrophysics. The programme is aligned to the Roadmap of European nuclear physics. FAIR is part of the ESFRI Roadmap. Participating Helmholtz Centres: GSI, FZJ "Photons, Neutrons, and Ions" programme The centres participating in this programme follow their research projects with the strategic objective to fully utilize and optimize the potential of the large-scale facilities and to support the external users as effectively as possible. At the Helmholtz-Zentrum Berlin für Materialien und Energie (HZB), after merging BESSY and HMI by 1 January 2009, the potential of complementary uses of photons and neutrons to investigate e.g. magnetic materials will be utilized in particular. Photons: Leading participation in the European X-ray laser XFEL. Construction of the Centre for Free Electron Laser Studies in cooperation with the Max- Planck Society and the University of Hamburg as the basis for the German utilization of XFEL. Development and construction of novel photon detectors. Development of PETRA III to become the world's best radiation source for hard X-rays and focusing the DORIS programme on complementary applications. Construction of a Centre for Structure and Dynamics of Condensed Matter on the Nanoscale as well as construction of the Engineering Materials Science Centre at DESY by GKSS for complementary utilization of photons and neutrons. Extension of the user programme at VUV-FEL FLASH by increasing the experimental capabilities and by continuous further development of the facility regarding improved stability and synchronization, seeding and the implementation of new experiments. Design, construction and operation of a second beam line at FLASH using the HHG (High Harmonic Generation) and a cascaded HGHG (High Gain Harmonic Generation) seeding principle (FLASHII) in order to further develop FEL techniques and to significantly enhance the user capacity of FLASH, in cooperation with BESSY/HZB. IV

15 The Research Field Structure of Matter Expansion programme 2007 Plus of BESSY II, especially for microscopy from the THz range to X-rays and for the generation and use of short X-ray pulses with freely selectable polarization. Construction and operation of a superconducting CW linear accelerators at HZB with high current and high repetition rate, as basis for a future Energy Recovery Linac and for FEL developments, in cooperation with DESY and FZK/KIT, development and application of the superconducting undulator technology. Further development of ANKA as user facility in combination with the research portfolio and infrastructure available at FZK/KIT; development and application of the superconducting undulator technology. Establishing the Karlsruhe Nano and Micro Facility (KNMF) also as user facility at ANKA, together with the Research Field Key Technologies. Establishing a Centre for structural biology at DESY, together with the Research Field "Health" / Key Technologies. Neutrons: Strengthening the involvement of the Helmholtz Association in FRM II, construction of further instruments by the Jülich Centre for Neutron Science (JCNS), GKSS and HZB. Operation of BER II with the extreme sample environments available there, as well as startup of the first stage (25T) of the high-field magnet, upgrading selected instruments and neutron guides at BER II and at the cold source. Consolidating the JCNS outstation at the SNS in Oak Ridge, and construction of a diffractometer for non-equilibrium states of condensed matter. Construction by GKSS of the short-pulse engineering spectrometer SPES at ILL. Participation in the development of concepts for new neutron sources (ESS) and their instrumentation. Ions: For materials research, plasma and atomic physics with heavy ions at GSI, full exploration of the research potential provided by the experimental storage ring ESR, the new ion trap facility HITRAP, the new high-energy / high-power laser facility PHELIX, and the new M- branch at the UNILAC. Strong participation in the international FAIR project by developing the PNI-relevant installations for FAIR The XFEL, FELs for soft X-rays, FAIR, and the ESS are parts of the ESFRI Roadmap. Participating Helmholtz Centres: DESY, FZJ, FZK, GKSS, GSI, HZB IV. Summary The programmes in the Research Field Structure of Matter are of high international visibility and define future directions of science. The success and progress achieved in the first programme period will be expanded. The links with strategically important and scientifically notable partners from universities and research institutes are an important element for the successful implementation of the projects. With two approved Helmholtz Alliances, the research field is in an outstanding position here. The Research Field Structure of Matter is excellently positioned within the Helmholtz Association, based on its research capabilities. It is one of the strongest attraction points for researchers from abroad and therefore makes a critical contribution to the strength of Germany V

16 The Research Field Structure of Matter as a research location. The new large instruments under construction and being planned will further contribute to keep Germany at the forefront of research. Research Field costs Research Field costs covered by institutional funding as requested for Mio. DESY FZJ FZK GKSS GSI HZB Total Elementary Particle Physics 21,2 8,2 29,3 Astroparticle Physics 2,7 14,7 17,3 Physics of Hadrons and Nuclei 29,9 59,8 89,7 Research with Photons, Neutrons and Ions (PNI) 156,0 18,7 15,8 11,9 12,7 68,6 283,8 Non-programme bound research 8,1 2,6 1,2 0,2 3,6 2,4 18,1 Total 187,9 51,3 39,8 12,1 76,1 71,1 438,3 VI

17 The Programme Research with Photons, Neutrons and Ions (PNI) The Programme Research with Photons, Neutrons and Ions (PNI) 1 Strategic significance The investigation of matter ranging from atoms, molecules, plasmas to the vast field of condensed matter requires a number of often different complementary probes in order to obtain all information necessary for a thorough understanding of its properties. Within the Helmholtz Research Programme "Research with Photons, Neutrons, and Ions" (PNI) the probes requiring large-scale facilities are offered to external users from the national and international science community. In addition these probes are used for well targeted in-house research programmes. The central task of PNI is the construction, operation, and continuous updating of the complex large-scale facilities providing scientific infrastructure for the community using PNI. Through PNI, Helmholtz centres are engaged in the user service at all major national facilities and heavily involved in the design, construction, and operation of the new flagships of the European research initiatives XFEL and FAIR. The in-house research programme at PNI facilities concentrates on constantly improving the existing instrumentation and on reaching new frontiers in science by using the PNI facilities. 1.1 Overview of the programme Status quo of the programme s scientific context Progress in almost every science field depends to a significant extent on powerful characterisation and analysis tools. Probing of properties can cover as different fields as the geometric structure, chemical, physical, electronic or magnetic characteristics or biological, physiological or pharmaceutical functions, just to mention a few of them. Probes based on large-scale facilities like photons from storage rings and free electron lasers (FELs), reactor neutrons or intense ion beams are the backbone of a research infrastructure indispensable to today s needs for analytical tools. Well-collimated high intensity photon beams from storage rings and FELs from the Terahertz to the hard X-ray regime probe in a unique manner the geometric and electronic structure of matter on a variety of length scales and time. Tuning the energy to absorption edges allows for element specific structural and electronic studies in materials science as well as for solving the phase problem in protein crystallography. Beams with selectable circular polarization revolutionised the investigation of site-specific magnetic properties. Depending on photon energy and scattering geometry, experiments can be made surface, interface or bulk sensitive. The coherent fraction of the X-ray beams allows for high-resolution holography and phase contrast micro-tomography, whereas dynamics can be studied by intensity correlation spectroscopy. The very high intensities in focal spots down to the range of a few 10 nm enables the investigation of extremely small sample volumes and novel materials that are often inhomogeneous on these length scales. Extremely brilliant hard X-ray beams allow for the investigation of buried interfaces as well as of matter under extreme conditions. Until recently synchrotron radiation techniques have mainly been able to probe static properties and the dynamics of matter up to a temporal resolution of about 100 ps. Special electron beam optics (low-α) and pulse slicing techniques have recently opened the field for fs time resolved experiments with selectable polarization throughout the energy range from THz to X-rays. The first running and future upcoming free-electron lasers (FELs) provide a gain of 4 and 9 orders of magnitude in average and peak brilliance, respectively, as compared to the best of today s synchrotron radiation sources. The photon pulse lengths are of the order of fs, thus allowing the investigation of excited and short-lived intermediate states with a 1000-fold improved temporal resolution as compared to storage rings. Furthermore the coherence properties of FELs enable totally new techniques to study complex samples. Neutrons are a powerful, non-destructive probe for the investigation of structure and dynamics in matter in a broad space and time domain. They are an indispensable tool for the investigation of magnetism, for micro-structural studies in materials relevant to engineering and materials 1

18 Strategic significance science as well as for soft- and bio-matter. Earth and environmental science and the investigation of cultural heritage are increasingly relying on research with neutrons. Neutron sources are also used for neutron activation analysis, in particular for environmental studies, for radiography and tomography as well as for the production of isotopes and doping of semiconductors. Major progress in neutron optics, detectors, sample environment, and methods have revolutionized neutron scattering and are still opening new fields of application. The next generation MW spallation sources provide a peak flux exceeding the flux of research reactors by at least two orders of magnitude. These gains make neutrons a tool for space and time resolved studies of micro- and nano-structured materials, in vivo studies of bio-molecular complexes and multi-component soft matter systems, in-situ studies of catalysts, studies of quantum phase transitions under extreme conditions, or of spin fluctuations in highly correlated electron systems. Ion beams are unique for probing our understanding of matter in the extreme electromagnetic field regime where novel high precision measurements check the basic principles of physics like the theory of quantum electrodynamics and possible symmetry violations. The dynamical aspects cover the correlated many-body motion in the strong field regime and are of great importance for applications such as ion-based cancer therapy. Ion beams also allow accessing the behaviour of matter at very high energy densities and pressures for testing improved models for the planetary and stellar structure as well as for the basic aspects of fusion energy science. In addition, energetic ions are used for testing complex modifications and radiation hardness of materials. As structuring tool, they are most suitable for application-oriented nanotechnology benefiting from the much larger penetration depth compared to conventional lithography. In many cases combined investigations e.g. with photons and neutrons or photons and ions allow for an improved understanding of the phenomena under study. Specific examples are discussed in section 2.4 (In-House Research). Studying more and more complex objects, often photon, neutron and ion experiments alone are not sufficient for a complete answer. Rather, experiments at the large facilities have to be complemented by various laboratory based techniques both for preparation and analysis. Therefore, research platforms, which provide this infrastructure at the large-scale facilities to users, play an increasing role in the upcoming funding period Introduction to programme topics Meeting one of the main missions of the Helmholtz association, namely the design, construction and operation of large-scale research infrastructures, the facilities grouped in the PNI programme provide at least 50% of the available beam time to external users, representing a crucial scientific infrastructure for the German science community at the forefront of international developments. The Helmholtz centres involved in PNI also play an important role within the European research infrastructure. About 30-50% of the users of PNI facilities come from abroad, often supported by EU access programmes. The core of the programme, covering the operation and development of the facilities, is divided into the 3 topics Photons, Neutrons, and Ions. This division is for the sake of clarity only, and is not intended to prevent fostering the complementary use of the three probes at the centres and by the users. A forth topic, In-house Research with PNI, comprises various projects of in-house research with photons, neutrons and ions with the strategic goal to test the facilities to their limits, thereby stimulating improvements, and, at the same time creating proper scientific competence and atmosphere for the benefit of the external users. Topic Photons After the integration of BESSY II, the Helmholtz Association unites all major German synchrotron radiation sources with public user access offering the complete spectrum from THz radiation to hard X-rays. Furthermore, Helmholtz centres are at the forefront of FEL developments. At present, three synchrotron radiation sources (ANKA, BESSY II, DORIS III) and one FEL (FLASH) are in operation serving a large and diverse user community with a wide spectrum of different techniques. A new 3 rd generation storage ring source (PETRA III) is close to completion, and the construction work for the XFEL is about to start. Both new sources will 2

19 Overview of the programme provide beams of so far not achieved quality in terms of emittance, average and peak intensity as well as photon pulse length. Topic Neutrons The Helmholtz Association is operating the BER II of HZB with its internationally renowned user programme and is, via the Jülich Center for Neutron Science (JCNS, FZJ), the German Engineering Materials Science Centre for research with photons and neutrons (GEMS, GKSS) and HZB, taking particular responsibility for a major part of the instrumentation and user service at the FRM II, Germanys most modern and highest flux national research reactor. German involvement at the top sources ILL and the new spallation source SNS in the U.S. is largely channelled through JCNS. HZB highlights the complementary use of neutrons and SR photons for research in magnetism, functional materials and soft matter by exploiting its facilities BESSY II and BER II within the same organisation. With GEMS, GKSS makes similar efforts at FRM II and DESY for the study of engineering materials. Topic Ions The ion part of the PNI programme is now completely based on the combination of accelerator facilities at GSI, which is currently the only laboratory in the world where stable or radioactive heavy ions can be stored in virtually any charge state and be provided to a broad user community. The new beam lines for materials science (M-branch) at the UNILAC which partially compensate the closed ion facility (ISL) at the former HMI, the trap facility HITRAP at the storage ring ESR, and the high energy and high intensity laser beam PHELIX, are additional new facilities and novel instrumentations for PNI related research. The construction of the international FAIR facility is about to start, which will provide a substantial increase of available beam intensities and energies for stable and rare isotopes as well as the most intense source of anti-protons worldwide. Topic In-House Research with PNI In order to provide state-of-the-art facilities and high level scientific support to a broad user community, scientists at the facilities carry out well chosen in-house research projects exploring the possibilities for new experimental techniques. This paves the way for deeper insight into the properties of matter in science fields like in magnetism, soft condensed matter, materials science and many other topics Current and previous activities leading up to the proposed programme DESY has pioneered the use of synchrotron radiation more than 30 years ago. DESY, HZB, and FZK command a world leading expertise in operating large-scale synchrotron radiation facilities and in the development of the corresponding optics and instrumentation. Within the last 5-10 years the number of users at all facilities has steadily increased, resulting also from new user communities discovering the potential of synchrotron radiation based experimental techniques. In the last decade a spectacular milestone was the worldwide first successful demonstration of free-electron lasing according to the SASE principle up to saturation in the nm wavelength regime at the VUV-FEL FLASH at DESY. Another major milestone for the European synchrotron radiation community was the decision to build the European XFEL in Hamburg. The realization of the new PETRA III facility at DESY is almost completed within time and budget. The civil construction work has been completed within one year and experimental stations are being built up at present. At BESSY II a special electron optics (low-α) now allows the production of coherent THz pulses as well as pulse lengths shorter than 1 ps throughout the entire spectral range. A femtosecond slicing facility provides 100 fs pulses of selectable polarization throughout the soft X-ray range for world wide unique studies on magnetism. On the BESSY II site, PTB and the former BESSY have built the Metrology Light Source (MLS) and put it into operation for metrology applications and experiments from the THz range to the VUV. At ANKA the worldwide first superconducting undulator has been installed in 2005 and is in operation since then. ANKA also succeeded in 3

20 Strategic significance the generation of ultra short electron bunches (~ 1 ps; low-α mode) emitting very intensive, and coherent THz radiation. Based on this expertise the Helmholtz synchrotron facilities are jointly proposing a strategy for the future use of synchrotron radiation in Germany in the present proposal which is based on collaboration in the development of new technologies for FEL s and Energy Recovery Linac s (ERL s) between DESY, HZB and FZK. Operating for decades the three research reactors FRG-1, FRJ-2 and BER II the three centres GKSS, FZJ, and HZB have been the backbone for German neutron research. Playing also a key role in providing access to the internationally leading neutron centres ILL and SNS, the Helmholtz Association certainly is the major player in neutron research in Germany and is world leading in some areas. Well-recognized expertise in developing new instrumental techniques was a crucial prerequisite that neutron sources see an ever growing user community from a steadily increasing variety of fields. HZB will integrate its successful Berlin Neutron Scattering Center around the reactor BERII, the only reactor operated by the Helmholtz Association beyond 2010, and the equally renowned user operation at BESSY II into a common user platform offering access jointly to both facilities as well as to existing and planned instruments at other sources. All three Helmholtz centres FZJ, GKSS and HZB have contributed to the instrumentation of the FRM II (TU Munich) with JCNS providing by far the largest part. After closing down the Jülich reactor FRJ-2 in 2006 and the GKSS reactor FRG-1 in 2010, FZJ and GKSS have bundled their expertise in the JCNS and GEMS, respectively. Both, JCNS and GEMS are designed to operate at large-scale facilities outside their respective home institutions to make full use of the world s premier new and existing sources. By participating in the preparation for the next generation (European) spallation source as well as by engagement at existing spallation sources, the Helmholtz Association keeps the lead to open the access to these sources for German users and to prepare for the installation of a German national spallation source in due time. The worldwide unique combination of the heavy-ion accelerator facilities UNILAC, SIS, and ESR at GSI enables the acceleration, storing and cooling of all ions in virtually any charge state up to relativistic energies of 1-2 GeV per nucleon. A broad community from atomic physics, plasma physics and materials research uses these beams for a large variety of experiments. In order to make optimal use of the unique beam conditions, particular efforts were spent into the development of sophisticated experimental techniques for traps and laser, X-ray, electron and ion spectroscopy. Novel ion beam handling techniques, in particular cooling techniques, have been developed in addition. This resulted in prominent discoveries in the direction of fundamental precision investigations for one and few-electron ions, the study of the physics of dense plasma and the interaction of swift ions with matter. For ion research within the PNI programme, novel and cutting edge facilities have been designed and will be fully operational within the next funding period. For atomic physics, the new trap-facility HITRAP will provide heavy ions in the highest charge states even at rest and allows for a new generation of high-precision experiments. For plasma physics, new types of experiments will become attainable by the high-power and high-energy laser PHELIX as well as by the strong intensity increase expected for the ion beams from the synchrotron SIS18. The new experimental area M-branch at the UNILAC will have a strong impact on the future research profile for materials research. Further substantial progress can be anticipated from the upcoming FAIR accelerator facility which will be constructed within an international collaboration. Most of the techniques based on the use of PNI facilities have matured in a way that also scientists from user communities, so far not using PNI facilities, such as from palaeontology, archaeology and cultural heritage have been attracted by the unique opportunities provided to probe their precious samples. This trend is also supported by the fact that ever refined PNI techniques allow to study more and more complex samples or problems. These developments have been made possible by PNI facilities due to: Highly qualified support at the experimental stations as well as during evaluation of the data, such that also non-experts can carry out successful experiments. 4

21 Overview of the programme Provision of complementary, non-pni analysis tools as well as a suitable sample and laboratory environment close to the PNI facilities. A convenient proposal procedure for the application of several probes to the same problem or sample, where applicable Expected outcomes or contributions to solving grand challenges The PNI techniques provide essential contributions to solving grand challenges by making available photon, neutron and ion beams of ever increasing intensity and/or brilliance and a wide variety of constantly improving instruments to make use of these beams. Without PNI facilities, experiments providing insight into many aspects of the structure and dynamics of matter as well as the capability to modify it even on the nanoscale would not be possible. A few selected examples where research using PNI facilities can contribute crucial information for the solution of grand challenges are: Energy and environment: A sustainable supply of modern society with clean energy constitutes several economic, environmental, and scientific challenges. Pollution and CO 2 free, efficient, and economic generation of energy and the storage of energy will need new classes of materials with specifically tailored properties requiring also new processing and fabrication processes. By way of example, a possible future hydrogen based energy economy requires substantially improved ways to store hydrogen in a light weight, safe and affordable manner. Neutrons with their high sensitivity to hydrogen are an unique analysis tool for a rational hydrogen storage material design. In-situ anomalous X-ray or high energy X-ray scattering enables the understanding of processes in fuel cells. Investigations of charge generation and transport by time-resolved spectroscopy will help to improve the efficiency of PV cell structures. Strain measurements with neutron and X-ray diffraction are essential tools to improve turbines blades which have to stand high temperatures at high rotational speeds. Neutron activation analysis and X-ray fluorescence analysis are extremely powerful in detecting toxic trace elements. For fusion energy sciences, important data for the behaviour of compound materials under extreme conditions are provided by heavy-ion beam experiments and high energy photo emission spectroscopy. Health: Knowledge about the structure, dynamics, self-organisation and interaction of biomatter on various length scales, from macromolecules to entire cells on a molecular and possibly even atomic level will be the basis for a better understanding of physiological processes, on how to cure diseases, and on how to design more specific pharmaceuticals. X-ray protein crystallography is the prime method to determine protein structures, supplemented by neutron diffraction for the location of the important hydrogen atoms. X-ray microscopy and tomography allow imaging larger sized biological objects like cells. Studies of the dynamics of macromolecules, highly relevant to understand functionality can be performed by photon correlation spectroscopy, VUV circular dichroism or neutron spin echo spectroscopy. The knowledge of the response of cells to irradiation by heavy ions provides a solid basis for the success of the hadron therapy in tumor treatment. Key technologies: Information technology and technology based on bio- and nanosystems is increasingly pervading all areas of our society and life, from communication, via industrial production, transport and logistics, energy and environmental technology, to health and medical care. With the need for further miniaturization and functionalization, the characterisation of materials on various length scales down to the atomic level and of dynamical processes on various time scales become increasingly important. Neutron and X-ray scattering under grazing incidence reveals the structure of layered systems, e.g. in spintronic devices. High resolution spectroscopy gives access to the electronic properties and XMCD in addition to neutron scattering reveals the element specific magnetic properties. Nanometre sized synchrotron radiation beams allow to determine local structures in heterogeneous systems. Femtosecond X- ray pulses are needed for the investigation of ultrafast processes e.g. during remagnetization of nanoparticles. Inelastic neutron scattering reveals the dynamics in soft matter composites. 5

22 Strategic significance Transportation: Rising energy prizes and growing environmental awareness are intensifying the search for materials and processes with improved performance. Sustainable mobility will require extreme lightweight construction concepts based on eco-friendly, load-bearing materials and composites for body and cell construction, and propulsion technology. High energy X-ray and neutron strain and texture measurements are non-destructive probes for the microstructure in the bulk, e.g. for engine components. Tomography can be used for the study of fatigue crack propagation and the influence of pores in laser beam welded parts for aircraft construction. For space science, manned interplanetary space missions critically depend on the development and characterisation of materials suited for active and passive radiation shielding of the cosmic radiation, which can only be simulated in experiments with relativistic heavy ions. A common theme for the solution of these grand challenges is the need for characterisation of materials on various length scales to below nanometer sizes and the understanding of dynamical processes on time scales down to the femtosecond range. This knowledge enables rational materials and process design. The unique experimental techniques provided by PNI are supporting this research with investigations of material micro and nanostructure that are not possible by other means. PNI scientists do not only assist external users in performing their experiments at the PNI facilities. To make best use of their facilities PNI researchers also pursue ambitious in house research projects which constantly push the limits of PNI experimental capabilities. These inhouse projects, which are presented below in Chapter 2.4 are selected to contribute to help solving some of these major challenges Position of the programme in the context of international strategies Research with large-scale facilities is a prime example for international cooperation and coordination. Flagship facilities, such as ESRF, XFEL, ILL, FAIR, or a future ESS are truly international endeavours. The German PNI facilities play an important role in the international network of photon, neutron, or ion beam sources and make an outstanding contribution to the international visibility of the Helmholtz Association. They serve a truly international user community and, through the various training courses, educate young researchers from all over the world. Within Europe the European Strategy Forum for Research Infrastructure (ESFRI) has assumed a coordinating role. The European XFEL, the international FAIR facility and the European Spallation Source ESS are all considered highly mature projects on the ESFRI roadmap. The same holds true for FLASH as a member of the EuroFEL (formerly IRUVX) consortium. XFEL and FAIR are the first ESFRI roadmap projects for which realisation has been decided. The European XFEL will be built with significant contributions from DESY and GSI together with FZJ plays the leading role in the construction of the FAIR facility. A political decision on the ESS project is expected soon. A contribution of the Helmholtz centres, which are active in neutron research, to the construction of the ESS is a central strategic element of the proposed program. All German synchrotron light sources participate in the European integrating activity IA-SFS (FP7: ELISA), the largest network of experimental facilities in the world. It has been selected to be one out of forty success stories of the 6 th European Framework Programme. Similarly, HZB, FZJ, and GKSS participate in the European Integrated Infrastructure Initiative for Neutron Scattering and Muon Spectroscopy NMI3 in the FP6 and FP7 programmes. For FAIR, the international collaborations of materials science, plasma physics, and atomic physics are part of the base-line physics programme and have a considerable impact on the design and construction of various beam areas and experimental stations. DESY collaborates closely in the field of FEL science with SLAC, Stanford, and is member of the 3-way collaboration on FELs Important external contributions to the programme Networking and collaboration of the PNI facilities with German university groups is strongly supported by the BMBF Verbundforschung in terms of funds for personnel expenses as well as for investments for instruments made available also to other users. A number of major German and European research organisations such as the Max Planck Society (MPG), the 6

23 Overview of the programme European Molecular Biology Laboratory (EMBL), the Leibniz Gemeinschaft and German federal authorities such as the Bundesanstalt für Materialforschung- und Prüfung (BAM, Federal Institute for Materials Research and Testing) and the Physikalisch-Technische Bundesanstalt (PTB, the German national metrology institute) operate experiments and in some cases entire outstations at the PNI facilities. The PTB established at BESSY II the internationally certified European Standard for radiation. At GSI, the European Space Agency has launched an experiment campain for space mission related materials and biophysics research using heavy ions. Within the Helmholtz Association, other Research Fields, such as Health and Earth and Environment already have or are planning to invest at PNI facilities. The access of European users to all PNI facilities is supported by the European Union s FP6 and FP7 via access programmes covering European users travel expenses and contributions to the operating expenses of the facilities. The FRM II reactor is operated by the Technical University of Munich (TUM), which is funded by the state of Bavaria. The neutron beams and certain infrastructures are provided by TUM for the instruments of the three Helmholtz centres located at this source. XFEL and FAIR will be built with an external European and international contribution of about 45% and 25%, respectively. In order to reach the desired physics goals at FAIR, substantial contributions to the experimental equipment and installations will be provided by the international collaborations of atomic physics, plasma physics, materials research and biophysics jointly acting together under the umbrella of the APPA coordination (Atomic Physics, Plasma Physics, and Applied Physics). These major external contributions are a clear indicator for the strategic relevance of the facilities operated by PNI Contribution to other programmes or to other joint cross-programme initiatives It is the prime mission of the PNI programm to provide its facilities to users external to PNI. Although most PNI users come from outside of the Helmholtz Association there is also significant use from within Helmholtz. In particular ANKA contributes within FZK to the programmes Nanobiology, Nano- and Microsystems (research field Key Technologies) and to the programmes Nuclear Safety Research and Nuclear Fusion (research field Energy). A joint user platform is being established in the framework of the Karlsruhe Nano Micro Facility KNMF (programme Nano- and Microsystems). DESY maintains a cross programme activity with the research field Earth and Environment (programme: Geosystem: the changing earth) and with all programmes of the research field Health. HZB contributes to the research field energy (programme: Renewable Energies), Max Delbrück Center for Molecular Medicine (MDC) is a partner in the protein structure factory at BESSY II as part of the research field Health. The activities of JCNS (FZJ), GEMS (GKSS) and HZB strongly contribute to the programmes of the Helmholtz Association "BioSoft Macromolecular Systems and Biological Information Processing", "FIT Fundamentals of Future Information Technologies" and "AEM Advanced Engineering Materials" in the research field "Key Technologies". For ion research, the programme Hadrons and Nuclei strongly profits from atomic physics methods like laser spectroscopy for gaining extremely precise data on the nuclear radii of shortlived radioactive nuclei. The same holds true for the study of a surprising influence of the atomic-shell structure on the properties of the nuclear β-decay. PNI-related experiments using beams from the UNILAC and the SIS enable unique insights into the consequences of heavyion impact on living cells and on electronic devices which provide a strong relation to the programmes Health and Transport & Space. The High Data Rate Processing and Analysis Initiative proposed by the PNI programme for the bonus award (see section 1.7) will rely on a close cooperation with the programme Elementary Particle Physics and Physics of Hadrons and Nuclei within the research field Structure of Matter due the long standing experience with the processing of high data volumes in these programmes. 7

24 Strategic significance Cooperation within the programme Within the PNI programme, both HZB and GKSS offer synchrotron radiation and neutron beams to users as complementary probe techniques. There is a strong collaboration between GKSS and DESY with respect to construction and operation of synchrotron radiation beamlines at DORIS III and PETRA III mainly for hard X-rays and engineering materials science and X-ray imaging applications. HZB and DESY collaborate in the field of accelerator physics, undulators and metrology for optical elements. The major investment proposal FLASH II for a second, seeded FEL branch at the FLASH facility will be a collaborative effort between DESY and HZB. FZK and HZB are collaborating in the field of the generation and application of THz-radiation. The proposal BERLinPro for a major investment of an energy recovery linac (ERL) test installation at the Adlershof Campus in Berlin will be a project of HZB, DESY, and FZK. FZK and DESY started to collaborate on the development of new 2D photon detectors, an activity which will further be intensified in future. FZJ, GKSS, and HZB are in the process of organizing a strong collaboration at the FRM II. This initiative is assisted by significant and dedicated federal resources from the BMBF aimed at optimizing the scientific use of the FRM II. Another strategic aim is the coordination of the instrumentation strategies and user operation at the two German reactors, to make best use of the facilities For the field of atomic, molecular, and plasma physics a close collaboration between DESY and GSI is foreseen. Using FLASH along with the electron beam ion traps planned at this facility, the intense, energetic, heavy-ion beams and PHELIX at GSI, complementary methods and possibilities are offered at these world-leading facilities. Linking these facets of research within the Helmholtz Association will enhance the prospects for future investigations at the large-scale projects XFEL and FAIR. Cooperative efforts in the development of experimental tools and common workshops will increase the effectiveness of the research. HZB and FZJ plan to cooperate in the area of simulation sciences for which the Institute of Advanced Simulations - including the HPC capacities in Jülich with world leading highly scalable systems as well as very powerful general purpose computers - builds an ideal platform. The focus of the joint activities will be formed by the following HZB topics: Simulation of instruments and beamlines at the large facilities BER II and BESSY II. Simulation and calculations for the analysis of experimental results. Simulations and calculations for accelerator physics, in particular for the design of an energy recovery linac, ERL. A common demand of all PNI member institutions is the development of proper tools for fast evaluation of experimental data, remote access and large-scale data handling. A proposal for a joint project will be detailed in paragraph Organisation of the programme PNI Spokesperson: A. Schreyer (GKSS) Deputy: W. Eberhardt (HZB) Photons Neutrons Ions In-house Research E. Weckert (DESY) Th. Brückel (FZJ) Th. Stöhlker (GSI) A. Tennant (HZB) Overview of the current spokespersons of the programme and its four topics. 8

25 Important infrastructures used or offered by the programme The figure gives an overview of the current spokespersons of the programme and its four topics. The spokesperson of the programme acts as contact to the coordinator of the Helmholtz research field Structure of Matter and the administration of the Helmholtz Association concerning all general matters of the programme. The spokespersons will organize meetings with the persons responsible for the programme within the participating centres on programme or topic level at least twice a year. 1.3 Important infrastructures used or offered by the programme The following three tables provide an overview of the large-scale facilities which are operated or constructed by the programme during the programme period: Photons: Facility Energy (GeV) Brilliance (ph/s/mm 2 /mrad 2 / Energy DORIS III kev PETRA III (under construction) 6 >10 12 kev BESSY II ev ANKA kev FLASH 1.2 XFEL (under construction) 2 10 ev (peak; averaged) kev (peak) Beamline/ Instruments 33 BLs, 44 instr. 23 diffract./imaging 10 spectroscopy 14 BLs, 27 instr. 11 diffract./imaging 3 spectroscopy 53 BLs, 64 instr. 24 diffract./imaging 37 spectroscopy 3 lithography 16 BLs, 28 instr. 6 diffraction 7 spectroscopy 3 lithography 5 spectroscopy/ scattering 5 spectroscopy diffraction scattering typical properties/ applications large, hard X-ray beams, spectroscopy, MX, materials science highest brilliance X-ray, hard X-ray coherence, µ- and nano focussing variable polarization, highest brill. EUV/soft X-ray low-α: 1 ps, slicing: 100 fs, spectroscopy THz/IR, actinide research, LIGA, micro-/nanoscience; low-alpha mode; sc undulators; ultra high peak brilliance, FIR soft X-ray, fs pump probe, coherence, high field ultra high peak brilliance, fs laser-pump X-ray probe, coherence, Neutrons: Facility Thermal Power (MW) Undisturbed Neutron Flux (n cm -2 s -1 ) Instruments FRG diffract./imaging BER II diffract./imaging 5 spectroscopy FRM II diffract./imaging 8 spectroscopy 4 others (medicine, Nuclear physics, etc.) typical properties and applications cold and thermal source; engineering materials science cold and thermal source; extreme sample environment (high field, low temperature); focus on magnetism, soft matter, and functional materials cold, thermal and hot source; high flux applications, e.g. polarisation analysis, high resolution spectroscopy, The FRM II is operated by the Technical University Munich, only a part of the instrumentation is provided by Helmholtz centres. For details see section

26 Strategic significance Ions: Facility UNILAC heavy ion linear accelerator SIS 18 heavy ion synchrotron, magnetic rigidity 18 Tm, cycle rate 1Hz ESR heavy ion storage ring, magnetic rigidity 10 Tm Particles (max. charge state) e.g. Ar 16+ Kr 17+ U 28+ e.g. p Ne 10+ Ar 10+ U 92+ Energies 11.4 MeV/u MeV/u 92+ for U up to 0.5 p to U GeV/u Beam area/ Instrumentation Z6 Plasma physics X3/X4 Atomic physics X0 Materials research Microprobe Materials reseach Y9 Shiptrap M-branch Materials research PHELIX laser Plasma physics HHT Cave A Cave M Electron, stochastic, and laser- cooled ions; internal target, electron cooler as target HITRAP Trap facility for heavy ions, with A/Q < 3 up to U kev*q Cooler trap, gas and solid targets, ion traps Research platforms In the following, the research platforms operated or planned within the PNI programme are described. They complement the large-scale facilities by providing additional important infrastructure. Center for Free Electron Laser Science (CFEL) at DESY DESY, the Max Planck Society (MPG), and the University of Hamburg are establishing a new research platform called Center for Free Electron Laser Science in Hamburg (CFEL). The aim of this centre is to focus on developing and exploiting the scientific applications of the new radiation sources such as FELs. CFEL shall become a major interdisciplinary research centre opening the possibilities of FEL technologies for a wide range of scientific challenges. Photon Science Nano Laboratory at DESY In the frame of PETRA III and FLASH experiments with micro and nano-scale samples, DESY plans to establish a Photon Science Nano Laboratory in order (i) to strengthen DESY in-house expertise in this field as well as (ii) to support users in preparing, pre-characterizing, handling and positioning of nano-samples. Engineering Materials Science Centre of GKSS As part of its materials science outstation at DESY, GKSS plans to establish the new world unique research platform Engineering Materials Science Centre at DESY which will provide enhanced user support for specialized in-situ experiments, data evaluation, sample preparation and characterisation in the field of engineering materials. Sophisticated laboratory cluster at HZB HZB offers to its users a sophisticated laboratory cluster including laboratories for magnetic measurements, crystal growth, investigation of soft and biomaterials by spectroscopic techniques. 10

27 Proposed resources of the programme topics Peter-Grünberg Centre PG-C at FZJ The Peter-Grünberg Centre PG-C at FZJ is a research infrastructure consisting of laboratories, electron microscopy and clean room facilities. It offers an entire suite of additional characterisation and preparation techniques for nanostructures to external users and thus responds to the urgent need for techniques to complement PNI methods. Karlsruhe Nano Micro Facility (KNMF) at FZK The Helmholtz platform Karlsruhe Nano Micro Facility (KNMF) at FZK combines the most advanced sample preparation and patterning techniques as well as characterisation methods for nano and micro technologies. KNMF is operated as a Helmholtz user facility (LK II) open to academic and industrial partners. It consists of up to 30 instruments grouped in three laboratories one of which is located at ANKA contributing synchrotron radiation as central characterisation tool. ExtreMe Matter Institute (EMMI) at GSI As part of the strategic alignment, the new research platform EMMI (ExtreMe Matter Institute), has been established in 2008 with GSI as the senior partner. Within this Helmholtz Alliance, research centres and universities cooperate very closely with matching funds and joint positions. EMMI aims at the development of common approaches for interdisciplinary research of matter under extreme conditions (density and temperature) in the fields of atomic and plasma physics as well as hadron, nuclear and astro physics research. 1.4 Proposed resources of the programme topics TEUR , , , , , ,000 80,000 60,000 40,000 20,000 0 Proposed programme costs in 2010 by topics Photons Neutrons Ions In-house Research with PNI 11

28 Strategic significance FTE ,200 Proposed personnel in 2010 by topics 1, Photons Neutrons Ions In-house Research with PNI scientists doctoral students scientific support personnel For additional resource information including large-scale facilities and investments, see 5.1 Proposed costs and Resource planning of the programme topics. 1.5 Additional resource-related information Mainly based on decisions taken during the first POF period (POF I, ) the PNI programme will continue to exhibit a strong dynamics in the upcoming POF II period ( ) with new large-scale facilities being constructed (XFEL, FAIR) or becoming operational (PETRA III), older ones having been or being phased out during POF II (FRJ-2, ISL, FRG-1, DORIS III), and already existing facilities joining the programme (BESSY II) or now being used intensely by the programme (FRM II via the new structures JCNS and GEMS). These changes have led to a strong increase of the proposed PNI budget compared to POF I. For instance, DESY has decided to move significant resources mainly from the programme Elementary Particle Physics to PNI, since after the shutdown of HERA the whole DESY machine group is now working for DESYs PNI facilities. At GSI the increasing significance of PNI research has led to a shift of LK II budget from the programme Physics of Hadrons and Nuclei to PNI. The integration of BESSY into the new HZB and into PNI implies a further increase of the PNI budget. This development is only partly balanced by the closure of older PNI sources. Following the guidelines of the Helmholtz Association, the proposed funding for the programme presented here is planned with constant resources (see chapter 5), since any increase is defined to be part of the bonus award. A large fraction of the annual increase of 1.4% aimed for in the research field Structure of Matter will be needed to cover rising costs for running the large-scale facilities, e.g. for electric power or personnel. The bonus award will be discussed further in section 1.7. For detailed information about the performance of the large-scale facilities funded through this programme see chapter 6 Performance indicators for large-scale facilities. 12

29 Overview about third party funding 1.6 Overview about third party funding FTE ,200 1,000 Personnel resources foreseen for activities relevant to the proposed programme third party Helmholtz Photons Neutrons Ions In-house Research with PNI The subdivisions of bars denote the personnel categories scientists, doctoral students and scientific support personnel (from bottom to top). For additional information see Current personnel capacity. 1.7 Potential developments anticipated for the programme period, future outlook As a consequence of the strategic decisions mentioned above (see section 1.5), all photon, neutron, and ion user facilities of national and international significance within Germany are now operated within PNI, or PNI contributes significantly to their operation and/or scientific use. After having accomplished this important goal, the strategy of the programme will be to focus on consolidating this positive development during POF II by focussing on the operation and in some cases the essential extension of the existing facilities, as well as on completing the new construction projects. Only on a longer time scale, i.e. after 2014, decisions on new facilities within Germany such as a national spallation source, or on major upgrades of existing ones, e.g. using ERL technology, will be aimed for. Regarding international projects outside Germany, such as the new European Spallation Source (ESS) the PNI programme strongly proposes to ensure early on, that an adequate German contribution can be made. However, as far as funding is concerned, most or all of the financial resources for a contribution to the ESS would be needed after the end of the POF II funding period. An important challenge in the years to come, which are common to all facilities and centres contributing to the PNI programme, are the high data rates and large data sets produced by the new facilities. They require better means to collect, evaluate online, and store data as well as making them available to the users of the facilities. Furthermore, a coherent approach of the PNI facilities is needed to provide tools to the users for analysis and modelling of the data. Therefore, all six centres contributing to the PNI programme have agreed to jointly propose an initiative on High Data Rate Processing and Analysis for the bonus award which will be detailed below in section Considering the constant funding mentioned above (see section 1.5) we propose to allocate the major part of a possible bonus award to balance inflation and rising costs. Nevertheless, a 13

30 Strategic significance substantial benefit for the entire PNI user community could be achieved, if for the harmonization of data handling and analysis about 10% of the bonus award could be devoted to the high data rate processing and analysis initiative High Data Rate Processing and Analysis Initiative The challenges concerning data processing from their generation to the scientific publication at our large-scale facilities can be grouped into two steps. The first concerns the generation of data sets up to the stage where the interpretation starts (Fast Data Acquisition, Online Analysis, Archiving and Remote Access), and the second is the interpretation of the data itself (Data Analysis and Modelling). a) Fast Data Acquisition, Online Analysis, Archiving and Remote Access The ongoing paradigm shift from analog to digital signal processing as well as the nature of modern existing and upcoming two or even multi-dimensional detector systems (e.g. pixel detectors) will result in an enormously increased production of digital data. The huge data sets require large bandwidths as well as dedicated pre-processing with data reduction and/or pattern recognition. These new technologies will allow for a more effective use of beamtime of PNI experiments and will require suitable data handling, storage and archiving software as well as evaluation tools. In this context a main bottleneck at present is the online evaluation and visualization of the data mandatory in many cases for planning an efficient strategy for the experiment or judging its success. Many new techniques, like eg. 3D-tomography or 3D-micro fluorescence microscopy and 2D/3D Compton polarimetres for hard X-rays in coincidence with 2D ion detection require not only a suitable data reduction but also a significant amount of simulation to judge the outcome of an experiment. The availability of suitable soft- and hardware tools will markedly reduce the risk of ineffectively using or even wasting valuable beam time and, furthermore, will increase the overall sample throughput. Common to these experiments is that they deliver series of subsequent single measurements (frames) with high frame rates and large amounts of detector and auxiliary data in each frame. Evaluation usually has to be done on a frame by frame basis first, afterwards data obtained from all collected frames have to be evaluated further, and finally the results have to be visualized and archived. An online data evaluation system that fulfils the requirements of real time data analysis and visualization has to be fast and has to provide sufficient flexibility to cover the very different analysis demands of a great variety of experiments. In order to achieve this software architectures are necessary which feature distributed processing on a scalable and variable serial/parallel multiprocessor hardware topology. In this context additional issues have to be addressed, like a common flexible data format, storage and retrieval of the large amounts of data, co-processor support for specific data analysis tasks, and journaling facilities. Special care has to be taken for the possible access of experimental data by users from remote since many users will not have the necessary resources at their home institutions to handle such data quantities. The development of the different applications of such a system should be driven by the needs of the currently most data demanding experiments like small angle scattering (time resolved in-situ SAXS, SANS and raster scanning micro-saxs), neutron time-of-flight experiments, microtomography, coherent diffraction imaging, X-ray photon correlation spectroscopy, microfluorescence tomography, macromolecular crystallography, spectro-microscopy, multi-hit photon and electron spectroscopy and Schottky noise analysis for ion beams. We propose to combine the efforts of all centres and to agree on common standards for exchange of data, software and hardware. This will allow to choose best practices and to develop modular generic solutions. The key developments will focus on new approaches to high performance data acquisition and analysis as well as potentially a virtual Grid-based organisation infrastructure to allow high availability computing and storage. The combination of new data acquisition systems and a unified computing infrastructure will induce a big step for the scientific programmes. 14

31 Potential developments anticipated for the programme period, future outlook b) Data Analysis and Modelling The remarkable advancement of sources, instrumentation and methods attracts more and more non-specialist users from many diverse fields to the PNI facilities. These users need expert support, not only before and during the experiment, but also for data-analysis, simulation and modelling. Scattering as a reciprocal space technique requires modelling to obtain the real space information, which can be interpreted by the non-expert. Spectroscopy needs comparison to theoretical calculations. Real space imaging techniques need tools for quantitative analysis of the 2 and 3D images. For example, a major success of crystallography in such diverse fields as physics, chemistry, biology, materials science or geo science was to provide automated routines for structure determination. Many other scattering, spectroscopy or imaging methods could have a similar impact, if easy-to-use data analysis tools were available. A prominent example is reflectometry and off-specular scattering, which are relevant for layered nanostructures in physics, chemistry, biology or engineering materials science. At the moment, the full information content of grazing incidence scattering experiments can only be extracted by specialists and there is no general programme for graphical representations of the layer structure. Since a significant part of the software has already been developed at Helmholtz centres or by user groups, the PNI centres propose to merge existing data treatment, simulation, modelling and refinement routines for various scattering, spectroscopy and imaging techniques under common graphical interfaces. These interfaces will have a common layout and common features, as independent of the probe or the applied technique as possible, in order to make it simpler for the user to work at different centres, with different probes and methods. The ultimate goal is to provide a universal platform for: (i) raw data treatment and correction; (ii) simulation and modelling; (iii) refinement of model parameters; (iv) comparison with theoretical (e.g. abinitio methods such as density functional theory) or numerical (e.g. Monte-Carlo methods) simulations; (v) graphical representations of the real space structure or dynamics. Such ternary spectrometers will have a huge impact in making PNI techniques accessible to lessexperienced users and thus to open these methods for less represented fields. Similar development projects on distributed data analysis have been started elsewhere (e.g. DANSE CCP4 main.html, or CCP14 ) and we aim for close reconcilement. The PNI programme as the organisational roof of the entire large-scale infrastructure for photons, neutrons, and ions is the ideal structure in Germany to push the High Data Rate Processing and Analysis initiative. Regular meetings and workshops organized by a steering committee will guarantee the optimal communication within the High Data Rate Processing and Analysis Initiative. Due to the long standing experience with the processing of high data volumes a close cooperation with the programme Elementary Particle Physics and Physics of Hadrons and Nuclei within the research field Structure of Matter is planned. Since best practices quickly disseminate, this will not only foster the cooperation among the centres, it will also boost the worldwide visibility of the Helmholtz Association in the international PNI community. 15

32 Strategic significance 1.8 Large investment (>2.5 M ) proposals planned ongoing capital investment projects (>2.5 M ) total investment sum anticipated plan (TEUR) individual ongoing investment projects 17,100.0 HighFieldMagnet, HZB, Neutrons 12,500.0 Imaging Beamline, GKSS, Photons 4,600.0 Full proposals for the following projects have been submitted to the Helmholtz Association by 2008: proposed capital investment projects (>2.5 M ) total investment sum anticipated plan (TEUR) individual investment projects proposed 100,340.0 RF-System for FLASH, DESY, Photons 6,000.0 Detectors for High and Low Energy Photons, DESY, Photons 5,200.0 Photon Science Nano Laboratory, DESY, Photons 5,500.0 FLASH II, DESY and HZB, Photons 29,600.0 BERLinPro, HZB, DESY and FZK, Photons 24,240.0 Engineering Materials Science Centre at DESY, GKSS, Photons 9,500.0 Structured Pulse Engineering Spectrometer, GKSS, Neutrons 6,000.0 Special Superconducting Undulators, FZK, Photons 5,300.0 Upgrade of the neutron spectrometer NEAT, HZB, Neutrons 9,000.0 Full proposals for the following projects will be submitted to the Helmholtz Association after 2008: planned capital investment projects (>2.5 M ) total investment sum anticipated plan (TEUR) individual investment projects planned 51,500.0 FLASH experimental equipment, DESY, Photons 5,000.0 PETRA III extension, DESY, Photons 14,000.0 Diffractometer for Non-Equilibrium States at the SNS, FZJ, Neutrons 8,500.0 TBONE, Linear Accelerator with THz Facility, FZK, Photons 24,

33 Large investment (>2.5 M ) proposals planned In the following brief desciptions of the capital investments projects are provided. Further details can be found in Chapters 2 and 3. Large Investments (>2.5 M ) planned in the programme period investment cost (TEUR) Investments still ongoing HighFieldMagnet, HZB, Neutrons Major investments contributes with 12.5 M to the total investment of 17.8 M to the installation of a superconducting- resistive hybrid in series high field magnet. This magnet should allow for neutron scattering at samples in fields up to beyond 25 T at the BER II. First experiments are planned for Imaging Beamline, GKSS, Photons This beamline makes use of the world record brilliance of PETRA III at DESY and is optimised for ultrafast tomography and radiography experiments with spatial resolutions down to tens of nanometers. Its X-ray energy complements that of the neighbouring GKSS high energy materials science beamline towards lower energies. Investments applied for: RF-System for FLASH, DESY, Photons This proposal includes several items necessary to improve the reliability and performance of some outdated components at the FLASH linac. Modernization of the FLASH RF systems by means of electronic systems, which are presently being developed for the XFEL, could substantially improve the field stability in the resonators and also the reliability of the entire system and simplify maintenance. Detectors for High and Low Energy Photons, DESY, Photons With the acquisition of pnccd detectors for low energy photons for FLASH and the modification for highenergy photons of a classical pixel detector for PETRA III it is planned to increase the efficient use of the available photons in the soft and hard X-ray regime by a factor of 10. Photon Science Nano Laboratory, DESY, Photons The user facilities PETRA III and FLASH at DESY will provide beams of outstanding brilliance and stability for the investigation of nanoscale structures with very high spatial and temporal resolution. To exploit these experimental opportunities most efficiently and to establish a forefront nanoscience programme at DESY instruments and laboratories for preparation, characterisation and manipulation of nanoscale samples are needed that are located on-site close to the photon sources. FLASH II, DESY and HZB, Photons FLASH is a worldwide unique facility operating for users since At present, the interest in using the radiation of FLASH by far exceeds the available beam time. The purposes of the proposed FLASH II facility are: (i) Increase of the amount of FEL-beam time for users significantly. (ii) Increasing the quality of the FEL beam for user operation by providing reproducible and synchronized pulses by employing various seeding schemes. (iii) Enabling the possibility for FEL-related R&D for future developments especially in the field of new FEL-seeding schemes. BERLinPro, HZB, DESY and FZK, Photons Construction of a 100 MeV superconducting RF (SRF) CW LINAC with energy recovery at Berlin- Adlershof. Building on the existing SRF programme at BESSY, this new facility is designed to develop and demonstrate the LINAC technology and expertise required to drive next-generation light sources that are based on the Energy Recovery LINAC (ERL) principle. 17

34 Strategic significance Engineering Materials Science Centre at DESY, GKSS, Photons The Engineering Materials Science Centre (EMSC) will optimize the use of the three beamlines which GKSS will operate at DESY by providing enhanced user support for specialized in-situ experiments, data evaluation, sample preparation and characterisation in the field of engineering materials. Since a centre with an equivalent focus does not exist yet worldwide the EMSC is ideally suited to attract excellent science to the unique facilities at the DESY site. The EMSC has already been reviewed very favourably. Structured Pulse Engineering Spectrometer, GKSS, Neutrons The structured pulse engineering spectrometer (SPES) is designed to measure residual stresses and textures in engineering components with unsurpassed speed at any reactor source. Due to its novel timeof-flight design SPES is expected to achieve the same performance as Vulcan@SNS/USA. Special Superconducting Undulators, FZK, Photons FZK proposed to design, construct, and test two novel superconducting (sc) undulators to be installed in ANKA in order to provide external users with high brilliance synchrotron radiation and to gain basic knowledge about the operation of sc undulators. SCU will generate highly brilliant X-rays due to a short period length and an extremely low phase error. SCEPU will be a unique planar-helical undulator with nested sc coils for the generation of circularly polarized radiation. Upgrade of the neutron spectrometer NEAT, HZB, Neutrons Upgrade of the time-of-flight spectrometer NEAT to forty-fold intensity gain and new instrumental and sample environment capabilities. The new instrument will provide an outstanding experimental tool for research areas of strategic importance for HZB including magnetism, material science and soft matter. Investments planned: FLASH experimental equipment, DESY, Photons Upgrade of the experimental equipment at FLASH such as a more intense and faster pump laser with shorter pulses, single pulse capable online spectrometer and electron beam diagnostics, timing and synchronization improvements down to 10 fs, a new and more flexible vacuum chamber for experiments, and a sensitive and fast 2D CCD detector. These investments are necessary for a more efficient use of the beamtime. In addition a new 10 MW klystron is needed to operate the newly developed low emittance RF-gun. PETRA III extension, DESY, Photons Extension of the PETRA III experimental stations by one damping wiggler and 4 bending magnet beamlines in order to accommodate additional experiments techniques in the hard X-ray regime presently served at DORIS III and not yet available at PETRA III. This will include large hard X-ray beams for engineering materials science, diffraction, absorption spectroscopy and (A)SAXS. Since there is a very good science case for these techniques and a correspondingly large user community at DESY, the realization of these beamlines will be a prerequisite for a shutdown of DORIS III. Diffractometer for Non-Equilibrium States at the SNS, FZJ, Neutrons It is proposed to construct a diffractometer for the study of non-equilibrium states of condensed matter at the SNS in Oak Ridge, which will cover a broad range of length and time scales. Such an instrument requires the high peak flux of a MW spallation source. It will consolidate the JCNS outstation at the SNS in Oak Ridge and open entirely new possibilities for German and international users from many different research areas. 18

35 Large investment (>2.5 M ) proposals planned TBONE, Linear Accelerator with THz Facility, FZK, Photons FZK proposes to design, construct, and build a new facility named TBONE (THz Beam Optics for New Experiments) in proximity to ANKA. TBONE consists of an accelerator unit generating ultrashort (5 fs) bunches with MHz repetition rates, special electron optics, a THz beamline, and bunch diagnostics. TBONE will meet four claims: A broadband source for high power, coherent THz radiation; a test-bed for sc insertion devices; a test facility for the development of technology for FEL and ERL light sources; and the first stage of a full energy injector for ANKA. At GSI, one major focus of the upcoming POF II period will be R&D and construction work related to the international FAIR project. In addition, three new installations, the M-branch for materials research, the trap facility HITRAP and the high-energy, high-power laser PHELIX will become available within the upcoming funding period (2010 to 2011). Once routine operation will be achieved, GSI intends to apply for additional large investments. 19

36

37 Planned programme topics 2 Planned programme topics 2.1 Photons Spokesperson of the topic: Edgar Weckert Contributing Centres: DESY, FZK, GKSS, HZB Personnel: 374 scientists, 27 doctoral students, 608 scientific support personnel Contributing principal investigators: GKSS 1% FZK 8% HZB 13% DESY 78% T. Baumbach, M. Hagelstein, V. Saile, J. H. Dürr, S. Eisebitt, W. Eberhardt, J. Knobloch, A. Meseck, W. Drube, F. Brinker, R. Brinkmann, E. Weckert, H. Franz, K. Balewski, G. Grübel, R. Röhlsberger, J. Feldhaus, H. Chapmann, J. Rossbach, S. Schreiber, M. Altarelli, A. Schwarz, T. Tschentscher, H. Weise, M. Müller, R. Willumeit, A. Schreyer Introduction to the topic Within the Helmholtz Association four large-scale facilities for research with photons organized in the PNI programme are currently being operated. These are the storage rings ANKA, BESSY II, and DORIS III and the first operating linac driven VUV free electron laser FLASH. The largest fraction of the beamtime at these sources (60-80%) is dedicated to serve a large and still growing user community of about 4500 users every year at present. The research FLASH 18% Topic costs 2010: M XFEL 22% ANKA 8% GEMS-P 1% PETRA III 29% BESSY II 13% topics targeted range from the investigation of atoms, molecules and cluster, via the various topics of solid state physics, chemistry and life sciences to materials, environment and geoscience. All sources are nationally funded whereas the user community is very international reaching up to 50% foreign users in some cases. In addition, two new sources are under construction: PETRA III has been designed to become the lowest emittance high-energy synchrotron radiation source worldwide and will be commissioned in The European XFEL to be built in Hamburg and Schleswig-Holstein will be a truly revolutionary source in terms of photon beam parameters. Groundbreaking is expected to take place late in Strong in-house research programmes are pursued at all facilities in addition to the user programmes in order to continuously advance the technology of the photon sources, the experiment instrumentation, techniques and methods on one hand as well as to promote science driven research fields on the other hand. Substantial in-house research programmes are essential to attract excellent staff scientists, engineers and technicians interested in pushing the experimental capabilities beyond the state of the art in this internationally very competitive field. The different photon sources within the PNI programme provide photon beams and experimental techniques, which are to a large extent complementary and target specific user communities. However, every facility offers also a set of standard synchrotron radiation techniques for its local user community. ANKA at FZK represents a synchrotron radiation facility between second and third generation operating at 2.5 GeV particle energy. It is embedded in the multidisciplinary research infrastructure of FZK providing an outstanding sample preparation and characterisation environment in several research fields. Other unique facilities of ANKA are the IR-endstations for spectroscopic and microscopic applications, various installations for deep X-ray lithography DORIS III 9% 21

38 Planned programme topics (LIGA), and an X-ray spectroscopy beamline for actinide research using instrumentations licensed for highly active nuclides. X-ray flashes of 1 ps pulse duration and intense coherent THz radiation can be provided in a dedicated low-α mode. ANKA is leading in the development of superconducting undulators for high brilliance and high-resolution applications 1. BESSY II at HZB is at present the only operating world-class third generation synchrotron radiation source in Germany providing photons from the coherent THz and VUV to the soft X- ray energy range (running at 1.7 GeV particle energy). In terms of undulator brilliance BESSY II compares very favourable with respect to brilliance and flux to other low energy storage rings in the world. It is the main source for the national user community interested in spectroscopy and a multitude of spectroscopic imaging techniques 2. For time-resolved studies either a low-α operation mode of the storage ring or slicing techniques are available providing photon pulse length in the few ps and 100 fs regime, respectively. In addition, through the activities of the PTB, BESSY II is the metrological standard for electromagnetic radiation in Europe. DORIS III at DESY is a 2 nd generation synchrotron radiation facility operating at 4.5 GeV, providing high flux photon beams from the VUV to the extremely hard X-ray range. At present it is Germany s main source for hard X-ray applications with large user communities in X-ray absorption spectroscopy, materials science and structural biology 3. The strength of this facility is the provision of high-flux hard X-rays even beyond 100 kev as well as comparably large photon beams best suitable for the determination of ensemble-averaged quantities. Many experimental stations at DORIS III are especially equipped for in-operando or in-situ studies such as catalytic reactions or welding processes. PETRA III, currently under construction at DESY, will be a 6 GeV storage ring with the smallest emittance and highest brilliance worldwide at the start of its operation in It will provide the best conditions for experiments needing high brilliance, a high degree of partial coherence, and micro- and nano-focussing capabilities especially in the hard X-ray regime. PETRA III is expected to become Germany s main source for hard X-ray applications. The expected beam properties will enable scientists to push many X-ray experiments beyond their current limits with respect to spatial and spectral resolution. The facility will provide techniques for micro- and nano-analytical applications, extreme conditions, high-resolution spectroscopy, engineering materials science and structural biology 4. FLASH at DESY is currently the world's only VUV and soft X-ray FEL and is operated as a user facility providing unique photon beam properties in terms of pulse length, peak brilliance, and coherence worldwide. Since the start of user operation in 2005 a number of groundbreaking experiments were carried out in the field of coherent imaging, physics at ultra short time scales (10-40 fs), high energy density matter and spectroscopy in extremely intense photon fields. In its wavelength range, it will keep a unique position also after other FEL facilities become available elsewhere. Future upgrades target towards higher photon energies, more advanced synchronization with external fs-lasers for pump probe experiments and for seeded freeelectron laser schemes in order to further enhance the quality and stability of the VUV- and soft X-ray laser beams 5. The European XFEL, located in Hamburg and Schleswig-Holstein, will be built and operated as an international facility with DESY being a strong partner in the project. It will be the most powerful X-ray source worldwide in terms of average brilliance, which will exceed all competitors by 2-3 orders of magnitude in the photon energy range from 200 ev to more than 12 kev. The unique XFEL photon beam characteristics will trigger a wealth of novel experiments, e.g. probing the dynamic properties of matter both on atomic time scales in the fs-range as well as on the length scales of inter-atomic distances enabling molecular movies of chemical 1 List of beamlines at ANKA: 2 List of beamlines at BESSY II: 3 List of beamlines at DORIS III: 4 List of beamlines at PETRA III: 5 List of beamlines at FLASH: 22

39 Photons reactions 6. First beam is expected for The new German Engineering Materials Science Centre for Research with Photons (GEMS-P) on the DESY site will bundle the GKSS synchrotron radiation activities in the field of engineering materials science and will complement corresponding activities at neutron sources. This activity comprises the operation of two beamlines at PETRA III and one at DORIS III. In addition to the PNI photon sources, University of Dortmund operates a small storage ring DELTA as a regional photon source also used for training of machine physicists. Germany is funding 25.5% of ESRF, which is also used by a large German user community. One selection criterion for the experimental techniques to be realized at PETRA III was the overbooking ratio of and the complementarity to ESRF experiments. The other European facilities, SLS, ELETTRA, SOLEIL, MAX-lab, DIAMOND, as well as sources in USA and Japan play a less important role for German users. On the long term DESY considers to shutdown the DORIS III facility and to extend the experimental capabilities at PETRA III accordingly by those experimental techniques, for which large and productive user communities exist and that are not covered so far at PETRA III or elsewhere in Germany. The average brilliance and flux density of the German synchrotron radiation sources are compared in the following figures. Comparison of flux density (right) and average brilliance (right) as function of photon energy of PNI synchrotron radiation facilities. The values of ESRF are given for comparison. From these plots it is obvious that the photon energy range of BESSY II and PETRA III are complementary with ANKA being in between. The average brilliance of FLASH and XFEL are about 2-4 orders of magnitude higher than the corresponding values of third generation storage rings for the same photon energy. Values for the peak brilliance are up to 9 orders of magnitude higher (see figure to the right). An FEL delivers in one sub 100 fs pulse roughly the same number of photons as a third generation source does in one second. Experiments at FLASH showed that even the 3 rd and 5 th harmonics provide intensity in the 0.1% level of the fundamental, e.g. ~10 9 photons/pulse in the 3 rd harmonics at FLASH. 6 List of beamlines planned at XFEL: 23

40 Planned programme topics As mentioned above, the main research areas targeted by the German large-scale photon sources are mostly complementary. Within an international context continuous further development of photon source techniques is a prerequisite to maintain Germany's leading position in this research field. For time-resolved studies the critical parameters are peak brilliance as well as photon pulse length, which are best matched at present by free-electron lasers. For this reason DESY in collaboration with HZB proposes to extend the present VUV- FEL facility in Hamburg by a second undulator laser line (FLASH II) in order to explore and develop new seeding schemes for a totally new quality of VUV-laser beams in terms of intensity and positional stability as well as the perfect synchronization to external laser systems for fs-time resolved pump-probe experiments. In addition, FLASH II will practically double the available beamtime Peak brilliance as function of photon energy. The blue dots for FLASH represent measured values. for VUV-FEL radiation experiments thus taking care of the strong user demand for FEL-beams. Present storage ring technology is limited in terms of the achievable brilliance and photon pulse length. The most promising development in order to provide short and highly brilliant photon pulses for a larger number of experiments is the energy recovery linac (ERL) technique. However, several critical questions for the application of this technique are still open and need careful investigation. Therefore, HZB with contributions of DESY and ANKA proposes to build an ERL prototype at the W.C. Röntgen campus in Berlin Adlershof for the further development of this technique in view of possible new or upgraded future photon sources in Germany Large-scale facility ANKA Centre: FZK Personnel: 49 scientists, 11 doctoral students, 30 scientific support personnel Contributing principal investigators: T. Baumbach, M. Hagelstein, V. Saile The large-scale synchrotron radiation facility ANKA is embedded in the multidisciplinary Forschungszentrum Karlsruhe (FZK) which presently merges with the University of Karlsruhe forming the Karlsruhe Institute of Technology (KIT). FZK/KIT offers a broad range of scientific infrastructure, competences, and complementary methods. ANKA is focused on the IR/THz and medium to hard X-ray regimes with a mission as a national user facility. Its inhouse research concentrates on specific science areas: key technologies, energy research, including research on radioactive (e.g. actinide) samples, and novel synchrotron technology. The facility currently comprises 14 beamlines and 21 experimental stations. The operation of the accelerator and of 8 beamlines is managed by the Institute for Synchrotron Radiation (ISS) of FZK. Other institutes 24

41 Photons of FZK 7 (IMT, INE and IFP) and the Max Planck Institute for Metals Research operate 6 beamlines with the associated experimental stations. In addition, the Max Planck Institute for Solid State Research operates an instrument at the IR1 beamline. ANKA pursues a four-fold strategy developing the specific strengths of the facility: Operation as national synchrotron source and user facility concentrating on specific science areas with profile building in-house research Optimisation of unique instrumentation in the research topics actinide research, nano/micro technology, IR/THz science, and superconducting undulator technology Participation in the development of novel synchrotron technologies for third and fourth generation light sources Establishment of an extended user operation platform at ANKA in the framework of the Karlsruhe Nano Micro Facility KNMF in the research field Key Technologies Challenges The challenges are intimately related to ANKA s strategy. Approximately 640 users performed experiments in More than 1100 user projects have been scheduled since user operation started in By constantly improving the user services, the accelerator, the various instruments, ancillary laboratory facilities, and the specific expertise in important fields, FZK strives to enlarge the user community of its synchrotron facility and to assure the complete satisfaction of its users. For example, short electron pulses in the so-called low alpha operating mode of the accelerator bear the promise to deliver fully coherent and intense THz radiation for life science and solid state research as well as sub-ps hard X-ray pulses for dynamical X-ray studies. Such special operating modes of the accelerator are presently being developed in cooperation with partners and will then be available for regular users. An indispensable part of ANKA s mission is the further development and utilization of superconducting insertion devices thus strengthening its leading position in superconducting undulator technology. The installation of new superconducting devices shall drastically improve the brilliance of synchrotron radiation available to users at several beamlines and holds the promise for commercialisation via the transfer of this technology to industry thus making it available to SR (synchrotron radiation) laboratories around the world. FZK plans to build a new facility named TBONE (THz Beam Optics for New Experiments) adjacent to ANKA. TBONE consists of a 100 MeV accelerator unit generating ultrashort (5 fs) bunches with MHz repetition rates, special electron optics to deliver THz radiation, corresponding beamlines, and ultrashort bunch diagnostics. TBONE will meet four claims: a) a broadband source for coherent THz radiation of 1 MW peak power, b) a test-bed for superconducting insertion devices, c) a test facility for the development of accelerator and diagnostics technology for 4 th generation light sources, and d) the first stage of a full energy injector for ANKA. Thus, TBONE will strengthen the role of ANKA as one of the leading institutions for IR and THz radiation and will hence serve the corresponding user communities in biology as well as solid state and surface science. It will significantly contribute to the development of new insertion devices, accelerators and beam diagnostics, and it will provide the ANKA users in the future with full energy injection and topping-up mode Current activities and previous work ANKA is a modern 2.5 GeV synchrotron radiation source 8. Three of the four long straight sections are presently equipped with insertion devices. 14 beamlines and 21 experimental stations are operational in See also

42 Planned programme topics In order to provide reliable user operation, ANKA started a major upgrade programme in The programme is based on a total investment of 25 M including special funding from the Helmholtz Association, the state of Baden-Württemberg and the Federal Ministry of Research and Education. The improvements include: two superconducting undulators, implementation of a dedicated laboratory infrastructure, and THz/IR development. The refurbishment of three beamlines will be accomplished in 2009 and three new beamlines, IR2, NANO, and IMAGE, are being installed at present. A hall extension built in 2008 will house the experimental stations of the NANO beamline as well as an ensemble of additional surface sensitive UHV characterisation methods to enable complete investigations. The infrared spectroscopy beamline IR1 operates very successfully, especially for the study of biological materials. Therefore the capabilities will be extended by implementation of the IR2 beamline. A new UVCD beamline (ultra-violet circular dichroism) which is presently transferred from the SRS/Daresbury will add optical tools for the characterisation of the secondary and ternary structure of biopolymers using circular dichroism in the UV range. The new beamline NANO dedicated to high resolution X-ray diffraction and surface / interface scattering with focus on in-situ and ex-situ structural characterisation of thin films and multilayers will be installed in The beamline IMAGE, focusing on imaging techniques such as laminography, grating interferometry, and X-ray microscopy extending in-situ and real-time characterisation methods to the micro or even nanoscale, will become available to users in The NANO beamline will be equipped with the superconducting undulator SCU15, whereas the IMAGE beamline will receive the superconducting undulator SCUW which has an electrically switchable, variable period length acting as wiggler with spectrally broad emission or as undulator with narrow emission lines. The new automated LIGA production line FELIG focuses on the routine fabrication of high aspect ratio microstructures with sub-micrometer lateral dimensions. It enables small volume series production for cooperation partners and industrial customers. The new Karlsruhe Nano Micro Facility 9, which is established as LK II user facility within the research field Key Technologies and which is a major part of the European research infrastructure project EUMINAFab, combines the most advanced sample preparation and patterning technologies with various sophisticated characterisation methods for nano- and micro-systems including several synchrotron based methods. The alliance between ANKA and KNMF which is strengthened by the installation of the third large KNMF laboratory at ANKA will lead to significant cross-fertilisation and to the increase of the respective user communities Contents and goals Nanocharacterisation especially by using scattering and diffraction techniques is a main focus of the research at ANKA. The beamline NANO will be the major new instrument for such studies. For enabling the best possible analysis of nanosystems ANKA is establishing a laboratory named Nanolab@ANKA which provides complementary surface analytical characterisations of thin films and surface layers. Existing tomography and topography will be complemented by further imaging techniques such as laminography, grating interferometry, and X-ray microscopy at the IMAGE beamline. All straight sections of the accelerator will be equipped with novel superconducting insertion devices tailored to the specific needs of different user communities in order to tap the full potential of the storage ring. FZK proposed 10 to design, construct, and test two novel superconducting undulators to be installed in ANKA in order to provide external users with high brilliance synchrotron radiation and to gain basic knowledge about the operation of sc undulators. SCU will generate highly brilliant X-rays due to a short period length and an extremely low phase error. SCEPU will be a worldwide unique planar-helical undulator with nested sc coils for the generation of electrically switchable, circularly polarized radiation. 9 Large investment applied for in the research field Key Technologies 10 Large investment applied for, see

43 Photons TBONE is a proposal 11 that is embedded in the current scientific and technological activities of ANKA and shall extend the present capabilities to frontier research in selected fields. It is based on a linear accelerator to 100 MeV. Using compression stages, the electron bunches can be as short as 5 femtoseconds, which allows to deliver coherent radiation from the terahertz region to the mid infrared with a MW spectral peak flux. This enables unprecedented opportunities for various infrared applications in the fileds microscopy, spectroscopy, and resonant excitation. In particular the emerging field of THz/mid-IR nanoscopy (s-snim, i.e. nanospectroscopy in the THz/IR range by using the near field detection of a scanning tip) will enormously profit from the high peak fields. Due to the ultra-short electron bunch lengths the spectral range of TBONE ( THz) covers the gap of the broadband sources available today, which will enable several important investigations in biology and solid state research. TBONE will allow to extract also other portions of the electromagnetic spectrum (from visible to X-ray range) providing a femtosecond time resolution that opens the field of ultrafast science. Furthermore the accelerator installation will serve as important test bed for the further development of insertion device technologies thus helping ANKA to stay at the international forefront of the development of sc undulators. The integration of the linac into the ANKA installation will enormously support the users needs since it is also meant to serve as part of a full energy injector for ANKA. Thus TBONE will be an exciting small-scale machine with large potential to complement the already existing user programme and in-house research in the field of infrared and ultrafast science as well as to strongly support the development of undulator technology. Moreover, it will significantly contribute to the knowledge base of future linac-based 4 th generation accelerators Expected results, milestones After the installation of the superconducting undulator SCU15 in the straight section for the NANO beamline in 2009, three more superconducting devices are planned to be installed. The related milestones are (milestone, year of completion): Superconducting undulator / wiggler SCUW for the IMAGE beamline operational 2011 Superconducting undulator SCU operational 2013 Superconducting elliptically polarizing undulator SCEPU operational 2014 The project for the construction of the SCUW started in For the devices SCU and SCEPU a large investment has been requested. Three new beamlines are planned to commence user operation. The related milestones are: IR2 beamline for infrared microscopy and SNIM 2009 NANO beamline for high resolution X-ray scattering 2010 IMAGE beamline for high resolution X-ray imaging applications 2011 The large investment for TBONE is planned to be submitted for approval in The realisation of this facility is subdivided into four steps and shall start user operation five years after approval: Building licence according to radiation protection legislation granted 2012 Erection of the experimental hall finished 2013 Erection of the LINAC and the electron optics accomplished 2014 (Erection of beamlines and associated experimental stations accomplished 2015) The large investment KNMF applied for in the research field Key Technologies and very positively reviewed by the programme advisory committee Nanomicro and by external experts within the large investment reviewing process includes a large facility at ANKA (KNMFlab@ANKA). The installation of the corresponding new instruments will be performed in close collaboration with the other FZK institutes participating in the programme Nanomicro. The project planning envisions the installation of a new KNMF annex building (2010), an X-ray 11 Large investment planned, see

44 Planned programme topics microscope installed at the IMAGE beamline (2011), a SAXS station in combination with powder diffractometry (2011), a cluster for in-situ thin film synthesis and characterisation (MBE, sputtering, MOCVD) (2012), and equipment for diffractometry under non-ambient conditions (2013) Large-scale facility BESSY II Centre: HZB Personnel: 85 scientists, 8 doctoral students, 109 scientific support personnel Contributing principal investigators: J. H. Dürr, S. Eisebitt, W. Eberhardt, J. Knobloch, A. Meseck In 2008 almost 50 experimental stations are operational at BESSY II. Driven by a very high demand for VUV and soft X-ray spectroscopy, BESSY II has experienced one of the fastest build ups of all SR-facilities. Being Germany s only third generation XUV-light source gives BESSY II a unique position in the scientific landscape. Furthermore, since BESSY II provides more than 25% of the available VUV-XUV-infrastructure in Europe it also is in a strong position internationally. The BESSY profile is science driven by both its large user community and the ambitious programme of the in house research. Of particular significance are the activities of the institutional users Max-Planck-Gesellschaft and Physikalisch-Technische-Bundesanstalt (PTB) in addition to CRG efforts by the Bundesanstalt für Materialforschung und -prüfung (BAM), the IFW-Dresden and MBI-Berlin, the FZ-Jülich and the MDC as well as cooperating research groups from 12 German universities and abroad (i.e. Russia). A unique distinguishing feature are the activities of the Physikalisch Technische Bundesanstalt (PTB), which have established BESSY II as the standard for electromagnetic radiation in Europe since the year These metrological capabilities were recently expanded by the construction of the Metrology Light Source (MLS), which is operated by HZB for the PTB Challenges After more than 10 years of successful research with 3 rd generation SR-sources HZB faces two major challenges in providing the infrastructure for cutting-edge research for the near and mid term future: (a) staying in the top-rank of third generation light sources by continuously improving the existing research infrastructure at the facility BESSY II and (b) pushing the frontiers of XUV-sources towards a new generation light source capable to supersede third generation storage ring sources like BESSY II. In the next years, HZB faces the challenge of significantly improving its light source and the related experimental infrastructure to maintain its competitiveness in face of new facilities coming on-line (e.g. DIAMOND, SOLEIL etc.). Additional funds for scientists and engineers for user support have been approved in connection with the transition to the Helmholtz Association, to bring the level of support personnel up to international standards. The most important ingredients in this direction are summarized in CUP an ongoing Continuous Upgrade Programme (started as BESSY 2007+). Its target is the realisation of a spectroscopy and microscopy infrastructure from the THz to the XUV spectral range with the highest spatial, temporal, and spectroscopic resolution, assuring BESSY II an internationally leading position in the community of XUV-light sources for at least another 10 years. Turning to the mid-term future the challenge lies in making the leap to a next-generation light source. In order to dramatically improve upon the brilliance, coherence and pulse length, while maintaining the average flux for a truly multi-user facility, one has to turn to energy-recovery 28

45 Photons linacs (ERLs). For efficiency, ERLs must use superconducting (SRF) CW linac technology to generate and accelerate extremely low-emittance beams (< 1 µm) while providing average beam currents at the challenging 100 ma (storage-ring) level. Prior to full facility construction, it is vital to develop the currently limited German ERL know-how. The HoBiCaT test facility in operation at HZB, dedicated to the study of CW SRF systems, represents an important first step towards is goal. Its great success was amply demonstrated in the EuroFEL collaboration, and it will continue to be a cornerstone for the SRF technology development program. But ultimately, prior to being used in a large user facility, this technology has to be put to the test in a full 100 ma class test linac. As such a demonstrator does not exist in Europe and only in a limited form world-wide, the HZB is proposing to build a 100 MeV CW SRF linac (cf. the large investment proposal BERLinPro) Current activities and previous work The CUP programme was launched already in 2004 to meet and anticipate the ever increasing demand in high performance spectroscopy and microscopy infrastructures from the THz to the soft X-ray range. It is a joint effort of the accelerator and experimental groups, spanning about 50 projects. Within this program, the accelerator facility is currently being upgraded to allow for top-up operation, where lost electrons are replaced after minutes rather than every 8 hours, as is presently the case. Replacement of the 50-MeV microtron by an equivalent linac enhances the top-up operation and permits significantly more flexibility in choosing filling patterns optimized for user experiments. A further improvement of the photon beam stability is expected following the on-going implementation of a fast closed orbit feedback system in the storage ring. In addition, to boost the reliability of the photon source, the old DORIS-type RF-cavities will be replaced by HOM-damped cavities, recently developed at HZB and now under test at the metrology light source (MLS). Ambitious, unique experimental facilities have been implemented. The 1 3 -ARPES station aims for highest spectral and angular resolution in photoemission spectroscopy aimed at unraveling the electronic properties of correlated electron systems with unprecedented precision. The S- PEEM photoemission spectro-microscope with integrated spin analysis and the SMART are worldwide unique instruments for photoelectron microscopy to be used on magnetic materials and in nanotechnology. An X-ray microscope based on new X-ray focusing concepts and utilizing technological innovation in electron microscopy, is aiming for highest spatial resolution in the sub 10 nm range for applications in biology, life- and materials sciences. The HIKE (High Kinetic Energy electron spectroscopy) and the ISISS (In situ spectroscopy for catalysis) facilities enable unique experimental programmes in materials science and catalysis. The unique low-α beam optics results in the production of stable coherent THz radiation and the possibility for time resolved studies with pulses down to <1 ps pulselength over the entire wavelength range. The temporal resolution was extended down to the 100 fs range with the implementation of the fs-slicing facility, producing circularly polarized soft X-rays, especially usefull for studies in ultrafst magnetism. A considerable increase in photon flux was achieved with the recent improvements in beamline design based on Fresnel zone plates produced inhouse. The pioneering work on precision metrology for weakly bent X-ray optics at BESSY II has led to unique instrumentation for measuring figure and slope of optical components. An increasing demand for micro-focusing optics for synchrotron and free-electron-laser applications, with strongly bent optical components like sagittal focusing mirrors or elliptical capillaries, has stimulated feasibility and design studies for new measurement tools in collaboration with the PTB and the IOM Jena. Preparing for the next generation SR sources, former BESSY had started CW-linac focused R&D activities installing the HoBiCaT facility for cavity testing. Based on these internationally well recognized activities HZB-/BESSY has submitted the BERLinPro proposal for the construction of a 100-MeV CW LINAC with energy recovery at Berlin-Adlershof (cf. the large 29

46 Planned programme topics investments, chap. 1.8). This ERL test facility is designed to develop and demonstrate the CW LINAC technology and expertise required to drive next-generation light sources. Over the last years BESSY was also promoting the High-Gain-Harmonic- Generation (HGHG) principle for a Soft X-ray Free Electron Laser (FEL). This scheme of cascading seeded FEL stages offers the only possibility for generating photon pulses of controlled fs duration, synchronized to an external laser, GW peak power, full shot-to-shot pulse reproducibility, widerange tunability and full transverse and longitudinal coherence. This expertise will be the basis for a HGHG test experiment in FLASH II, cf. the large investments, chap Contents and goals BESSY II has traditionally been providing highly brilliant XUV photon beams to a large user community bringing their own experiments to the beamlines. While this practice will continue for part of the user community, there is a growing demand for sophisticated, worldwide competitive experiments matched to unique beamlines. The goal thus is to examine the complete light source facility and all components in the chain of SR-light generation, to significantly improve its performance and optimize it for the needs of the BESSY II user community. A characteristic challenge of all 3 rd generation SR facilities concerns the overall stability of the micro and nano-focussed beam. To meet this challenge, programme CUP contains several action items, i. e. top-up operation, improved feedback systems and photon beam monitors and special shielding for the most sensitive microscopes. CUP further relies on the international reputation of the BESSY staff in undulator and monochromator design. APPLE II undulators, allowing complete control of the polarisation have been built at BESSY II not only for in-house use but also for the SLS and PETRA III. A major goal of the undulator developments is to cover the spectral range of the L-edges of magnetic relevant materials with the first, 100% circular polarized undulator harmonic. To exploit the possibilities of smaller gaps, the development of a complex in-vacuum, short-period APPLE II undulator system is planned. Cryogenic undulators, operated at liquid nitrogen temperature, are a promising alternative to superconducting undulators, which can adversely affect the stability of high-brilliance third-generation SR sources due to their pronounced long-lasting eddy currents. A prototype cryogenic undulator module is currently under development at HZB for a table-top laser-based FEL. Both the existing diagnostics instrumentation of the insertion device laboratory and the proposed superconducting linac facility will give BESSY II a unique infrastructure for insertion-device research and development. Multilayers are superb reflectors in X-ray as well as in neutron optics. Thus the HZB is in the ideal position to form a crystallisation centre for the SR and neutron optics community. Transmission multilayers serve as quarter wave plates for polarization manipulation. It is intended to increase the activities in this research field using in-house growth facilities. The plane grating monochromator design developed at BESSY II has been transferred to many other sources partially under licensing agreements with ZEISS, JENOPTIC, and FMB. In addition to a new unique high brilliance facility for resonant and coherent soft X-ray scattering, future efforts in monochromator design will concentrate on replacing existing monochromators by novel design types with significantly improved performance. Spectroscopy, microscopy and time resolution will be pushed to the limit in terms of resolution and transmission. By integrating micro- and nanofocusing devices ultrahigh flux density is achievable targeting challenging scanning probe imaging applications. The ongoing development of a unique high transmission high resolution spectrometer for resonant inelastic X-ray scattering will directly benefit from the expertise in the field of monochromator design. The already unique fs-slicing facility will be upgraded with parallel detection and pushed to higher repetition rates. Together with the proposed storage ring improvements, a dramatic increase in 100 fs photon flux by several orders of magnitude will allow radically new scientific problems to be addressed. The challenge of reaching sub-10 nm spatial resolution in X-ray 30

47 Photons spectro-microscopy will be met by a commitment to improve the in-house production of Fresnel zone plate optics with additional benefit to nanoscale fabrication techniques. Most XUV techniques require an ultra-high vacuum environment for sample handling or beam transport. This represents a significant challenge for the implementation of high magnetic or electric fields for electron spectroscopy, as well as for measurements under ambient conditions often essential for catalysis, or spectroscopy of liquids. Pulsed or spatially confined fields, liquid/gas cells or jets already have been designed and implemented and will be continuously improved and integrated in new experimental systems. Surface sensitive ultra-high resolution spectroscopy will be combined with low (~1 K) sample temperatures requiring novel approaches to sample preparation. Central preparation facilities for sophisticated samples (epitaxy, pulsed laser deposition, nanostructuring) will be set up together with in-house research. An additional focus at BESSY II will be the identification of the concrete user demands for the mid-term and long-term future and the development of next-generation light-source concepts and critical technology that can meet these demands. Continuous-wave (CW) superconducting RF technology, designed to accelerate high currents at low emittance, will certainly play a critical role. Examples include such systems implemented as an energy recovery linac, or their installation in a storage ring to provide the necessary overvoltage for ps electron-pulses at high current. Building upon the HoBiCaT experiences, HZB is therefore proposing to build a unique 100 MeV CW prototype linac BERLinPro to demonstrate all aspects of the technology under realistic conditions. For the highest currents (>>10 ma), energy recovery will be implemented. For the participation in the planned FLASH-II installation to test the HGHG seeding scheme we refer to chap Expected results, milestones With the consequent realisation of the innovation programme CUP, naturally just part of a continuous revolution we expect to consolidate a leading position of BESSY II among the third generation light sources for at least another 10 years. Important milestones are Full top up operation (2011) Improved fast orbit feedback system 2010 Tested cryogenic undulator prototype Demonstration of 12 nm resolution zone plates (2010) 1 mev resolution at sample temperatures below 1 K demonstrated at the 1 3 APRES facility (2010) Demonstration of fs-slicing with parallel detection resulting in an effective improvement by 10 2 (2009) Slitless RSXS-spectrometer with novel high throughput beamline (2010) ERL technology ready for design and construction of a ERL facility succeeding BESSY II (2014) 31

48 Planned programme topics Large-scale facility DORIS III Centre: DESY Personnel: 19 scientists, 0 doctoral students, 49 scientific support personnel Contributing principal investigators: W. Drube, F. Brinker, R. Brinkmann, E. Weckert DORIS III is a mature, well-established second-generation, 4.5 GeV particle energy light source currently providing the major share of hard X-ray synchrotron techniques in Germany. The large community of about 2100 users is mainly coming from non-pni institutions (90%) and the international share is close to 50% documenting its attractiveness in a competitive international environment. A total of 33 beamlines is in operation comprising 44 instruments and end stations, 8 beamlines receive light from hard X-ray wigglers, and one wiggler covers the XUV energy range. DORIS III is a highly productive workhorse instrument primarily serving scientific applications which do not benefit from brilliant beams but need high-flux hard X-rays (up to 250 kev) Challenges Most synchrotron radiation based X-ray techniques developed in the past two decades have now reached a high level of maturity and are being routinely applied to materials science investigations in a wide range of research fields. Apart from recent developments of sophisticated techniques aiming at the study of sub micrometre-sized samples, many scientific communities also have a strong need for powerful analytical X-ray tools suitable to probe materials of some 0.1 to several mm size, e.g. to obtain averaged information (grain statistics) or to tomographically image sizable samples such as bone-implant structures. In engineering materials science realistic work pieces, e.g. for joining technologies, may even be much larger (several centimetres). Artwork of cultural heritage may be even larger, such as paintings. In addition, many of these applications require complex sample environments for in-situ studies, e.g. in catalysis, combined with methods employing high-flux hard X-rays to facilitate bulk sensitive measurements under realistic, environmental relevant conditions. At the same time, it is essential for systematic materials studies to have reliable access to a sufficient amount of beamtime, often combining different X-ray techniques and instrumentation. The DORIS III facility serves these applications, which do not necessarily benefit from very brilliant beams. It encompasses the current synchrotron radiation activities at DESY and is well established in the German and international user community. Growing interdisciplinary efforts for novel applications of established techniques steadily increase the user community by involving research groups from science fields not regularly using synchrotron X-rays such as zoology, archaeology and cultural heritage. DORIS III will also continue to provide a fruitful environment for developing novel interdisciplinary approaches. The perspective of this facility until the second half of the next funding period will be the provision of competitive techniques targeting primarily those applications, which benefit from larger high-flux X-ray beams, which will therefore be complementary to the experiments exploiting the high source brilliance of PETRA III. The focus on competitive quality will be enhanced by a reduction of the current number of fully supported beamlines Current activities and previous work In more than 5000 hours each year were delivered for user experiments with an availability of about 95% corresponding to a total of more than 130,000 station hours scheduled for user experiments. The facility is very attractive for the national and international synchrotron radiation community, which is reflected by the large number of users that has saturated at 32

49 Photons around 2100 individuals p.a. since This number includes users from PNI institutions and outstations of external institutions on the DESY campus. About 50% of the external users (35% of the available station hours) come from abroad, primarily from member states of the European Union. About 25% of the users belong to the structural biology community served by EMBL and an outstation of the Max-Planck society. Main research topics at DORIS III are: materials science (stress/strain/texture of engineering materials, structure of alloys and composites, joining technologies) hard condensed matter (structure of crystalline or amorphous materials, correlated electron materials, magnetism, materials under extreme conditions) solid & liquid surfaces, thin films (bio membranes, solid surfaces and interfaces) structure of soft condensed matter on mesoscopic lengths scales (polymers and colloidal systems, lipids and lipid layers) chemistry (heterogeneous catalysis, chemical crystallography) electronic structure of matter (solid surfaces and interfaces, atoms, molecules, clusters, luminescent materials) environmental science & geology (trace element analysis in contaminated materials, spatially resolved element distribution and speciation) life science (macromolecular structure, 3D structure of biomedical implants & bones, medical applications, zoological applications) A significant part of the activities are carried out by outstations from external institutions. In addition, several beamlines or end stations are operated in collaboration with university groups. The EMBL-Hamburg outstation operates eight beamlines with applications in life sciences, whereof six are dedicated to macromolecular X-ray crystallography, one to small angle X-ray scattering and one to X-ray absorption spectroscopy (the latter was closed end of 2007). A consortium of the University Hamburg and University of Lübeck is involved in one of the beamlines. The Max-Planck Unit for Structural Molecular Biology operates one beamline to investigate the structure and functioning of proteins and protein complexes. The new outstation of GKSS (PNI) at beamline HARWI-II focuses on engineering materials science research employing X-ray diffraction and imaging with emphasis on high-energy radiation (up to 250 kev) in combination with special sample environments for in-situ experiments relevant to engineering research. The Helmholtz-Zentrum Potsdam (Deutsches GeoForschungs-Zentrum GFZ, Research field: Earth end Environment) operates two endstations equipped with large-volume high-pressure instruments, which are unique in Europe, to study geodynamic processes occurring in the upper and lower mantle of the earth by high energy X-ray diffraction ( kev). Industrial usage of DORIS III beamlines amounts to 1200 station hours p.a., 40% chemistry/catalysis, 40% pharmaceutical, and 20% materials research. The robust instruments in operation at DORIS III are well suited for hands-on experiments performed by students and young researchers in the framework of special training courses. Seven programmes were arranged e.g. in 2006 for practical exercises. During the evaluation period, on average more the 500 publications every year based on experiments at DORIS III appeared in ISI-listed journals, more than 200 thereof with an impact factor >3 and in high-profile journals (impact factor > 7) Contents and goals In the coming years, the activities at DORIS III will account for the upcoming availability of PETRA III. During the initial PETRA III commissioning phase, DORIS III will continue to provide 33

50 Planned programme topics the major share of beamtime for the photon science user community at DESY. The spectrum of applications at DORIS III will increasingly focus on those fields, which benefit from high photon flux and high photon energies. Changing user needs and new technical and scientific developments have constantly triggered a reshaping of the instrumental infrastructure at DORIS III to increase competitiveness. This has already led to a certain degree of complementarity of DORIS III beamlines to high brilliance 3 rd generation sources. This complementarity was also an essential starting point for the process of selecting the new PETRA III beamlines, which are almost exclusively targeting high-brilliance applications. It is therefore planned to initially have a combined operation of DORIS III and PETRA III where the number of fully supported beamlines at DORIS will be successively reduced to 9 wiggler and about 8 bending magnet beamlines which will accommodate those instruments and applications not currently implemented at PETRA III and those for which a non-brilliant beam is advantageous or even mandatory. This reduction of instruments will at the same time strengthen the user support provided at the beamlines remaining in operation. Combined with the initial PETRA III activities, the total available synchrotron radiation beamtime at DESY will be roughly unchanged, but the diversity of highly specialized applications provided to all user communities will significantly increase. There are also certain applications, which additionally benefit from the added value of a complementary use of both hard X-ray sources DORIS III and PETRA III: Experiments needing large X-ray beam cross sections: The rather large beams available at DORIS III are of advantage for those techniques and applications which are aiming at averaged information over larger sample areas or are a pre-requisite as for imaging and micro-tomography studies of large samples. Certain experiments in X-ray absorption spectroscopy e.g. deal with mm-sized samples like in catalysis research were reactions inside mini-reactors are investigated in operando. At the same time, a large beam does not inhibit spatial resolution since this can be also achieved on the detection side by using suitable 2D detectors. Experiments not depending on high brilliance: Diffraction and scattering experiments on mm-sized samples with wide features in reciprocal space also do not profit from extremely collimated beams, such as diffuse scattering from disordered or glassy materials. Likewise, typical applications in chemical crystallography targeting charge density studies and the investigation of phase transitions need high photon flux at high photon energies but do not require brilliance for not too small samples, i.e. >0.1 mm. A sizable beam is also needed in texture analysis or to obtain reliable grain statistics e.g. for ill-defined powders. The complementary use of DORIS III and PETRA III will allow pre-characterisation of samples e.g. essential to identify regions of interest as the target of subsequent experiments zooming in with highest achievable spatial resolution at PETRA III. Such an approach would help to increase the scientific efficiency of PETRA III significantly, since both sources are on the DESY site and user access can be scheduled in a coherent way. The very high demand for beamtime and the competitive access at 3 rd generation sources leaves little if any resources available for an increasing number of in-situ studies of reactions and growth processes which need a certain iterative optimization of parameters prior to the final measurement. Also, similar limitations apply to instrumentation development, education and training of students as well as test experiments for new techniques. Here, DORIS III instruments can be made available for these purposes to a certain share Expected results, milestones In view of the emerging possibilities for high-brilliance applications at PETRA III, the focus on complementary techniques at DORIS III is expected to keep up the high degree of competitiveness for the research conducted at this facility. By reducing the current number of 34

51 Photons fully supported beamlines, the overall user support at those beamlines will be strengthened where DORIS III is most effective and productive. The operation of DORIS III parallel to PETRA III is planned to continue until additional beamlines at PETRA III will become available, which can accommodate the experimental techniques and applications especially at higher photon energies currently only available at DORIS III. This is expected for the second half of the next funding period Large-scale facility PETRA III Centre: DESY Personnel: 54 scientists, 0 doctoral students, 182 scientific support personnel Contributing principal investigators: H. Franz, K. Balewski, R. Brinkmann, G. Grübel, R. Röhlsberger, E. Weckert The new hard X-ray 3 rd generation synchrotron radiation source PETRA III, still under construction and becoming operational in 2009/2010, will have the lowest horizontal emittance of all high-energy storage rings worldwide. Therefore, the brilliance of the 14 undulator beams for photons up to energies of about 30 kev will be higher than anywhere else. This fact makes PETRA III an ideal source for hard X-ray science applications requiring the ultimate spatial resolution in the range of few ten nanometres, or for applications exploiting the coherent portion of the radiation. The main parameters of the new PETRA III synchrotron radiation source are summarized in the table below. Parameters of the new PETRA III synchrotron radiation source: Energy 6 GeV Circumference 2304 m Stored current* 100 (200) ma Number of bunches 40 and 960 Natural emittance 1 nm rad Drifts for 5m-undulators 3 Emittance coupling 1 % Drifts for canted 2m-undulators 5 Source size** 142x5 / 35x6 μm 2 Drifts for 20m-undulators * 1 (3) Run lifetime Top-up Length of damping wiggler 80 m *: values in brackets stand for future extensions **: high / low beta section RMS values Challenges Scientific challenges where experiments at PETRA III are expected to make major contributions: In life science one of the challenges for the future is the understanding of all processes on the molecular level of small living organisms like a cell. This requires not only the determination of the structure of all (macro-) molecules involved but also an understanding of the function and interaction of all constituents like small signal or substrate molecules, proteins, RNA- and DNA-molecules. To achieve this, the structure of large multi protein macromolecular complexes needs to be determined, for which in many cases only very small and weakly diffracting crystals are available requiring very intense focussed X-ray beams of extreme stability. At PETRA III four beamlines will be dedicated to life science applications. Three of them are constructed and operated by EMBL outstation with some contributions by GKSS and the Universities of Hamburg and Lübeck, one by a consortium of the Max-Planck-Society, the Helmholtz research field 35

52 Planned programme topics Health, and DESY. One of these beamlines will offer a Small-Angle Scattering endstation with a sample environment specialized for solution scattering. In materials science there is an urgent need to characterize non-destructively the 3D interior of samples or whole work-pieces for a better understanding and control of physical and mechanical properties. Questions to answer are grain morphology and orientation, stress, strain, chemical composition and crystal structure, and the structure of interfaces or phase boundaries. Several beamlines at PETRA III will be dedicated to materials science providing extremely focussed beams up to 200 kev photon energy, thus enabling especially the investigation of bulk samples or buried interfaces. Most of the materials science activities at PETRA III will be taken care of by the GKSS research centre. Many fundamental processes in solid state physics are still not fully understood and characterized: effects caused by electronic correlations in condensed matter, the origin of high temperature superconductivity, many aspects of quantum phase transitions, non- Fermi liquid behaviour and properties of magnetoresistive materials such as the interplay of spin, charge, orbital, and lattice degrees of freedoms. For the investigation of these problems at PETRA III, among other techniques, high-resolution spectroscopy and diffraction using circular polarized photons from 250 ev to 10 kev will be available for the investigation of magnetic properties down to sub-µm spatial resolution in combination with high magnetic fields. Nano analytics revealing two- or three-dimensional density, spectroscopic or structural information on the nano scale also from bulkier samples or under environmentally relevant conditions is an extremely versatile tool in many disciplines. Examples are the investigation of nano-structured or nano-sized samples, and hierarchical or selforganized materials that exhibit mesoscopic ordering phenomena. These techniques, however, are also very powerful for the investigation of biological objects, environmental research or in catalysis. The techniques provided at PETRA III to meet these challenges span from SAXS/WAXS, tomography to spectroscopy and fluorescence analysis on the micro to nano scale. High pressure studies offer a new dimension in parameter space for condensed matter research. It is intended to provide diamond anvil cells for almost all beamlines at PETRA III. For geophysical research and materials synthesis in addition laser heating at a dedicated station will be available for the investigation of minerals under pressure and temperatures comparable to conditions deep inside the earth. The dynamic properties of matter are in many cases crucial for their application or for the understanding of fundamental properties. Examples are: The rheological properties of lubricants, the sound velocities of minerals under high pressure and high temperature conditions, as well as critical fluctuations close to phase transitions and the glass transition. X-ray photon correlation spectroscopy and inelastic scattering techniques with beams down to the sub-micrometer size will be available to tackle these questions at PETRA III. This list of scientific challenges is far from being complete. Given the improved beam quality of PETRA III in terms of brilliance compared to present hard X-ray sources, certainly new or improved experimental techniques will arise for opening up new fields of research Current activities and previous work In 2003, after discussions with its advisory and funding bodies, DESY decided to upgrade the PETRA III storage ring into a state of the art 3 rd generation synchrotron radiation source starting A technical design report was submitted and approved early The final funding contract was signed in May Simultaneously, intense preparation work for the reconstruction of the storage ring, for the refurbishment of the pre-accelerators, and for the civil construction work started. In July 2007 the reconstruction of the accelerators and construction 36

53 Photons work for the experimental hall began. The laying of the foundation stone took place in September 2007 and the topping out celebration in November The construction of the experimental hall was finished in April By that time 2 km out of 2.3 km of the storage ring and all pre-accelerators were almost completely refurbished. Since September 2008 the preaccelerators are back in operation. At present (October 2008) the final 300 m long, totally new designed part of the storage ring is being assembled. Simultaneously the installation of equipment into the experimental hall, beamline components and radiation protection hutches is ongoing. The installation of the first experimental stations is scheduled for late PETRA III will offer fourteen undulator beamlines with up to 30 experiments, each one dedicated to a specific experimental technique. Out of these, three beamlines for life science will be constructed and operated by the EMBL outstation and two beamlines for engineering materials science and imaging by the research centre GKSS (Geesthacht). The Max-Planck Society finances construction and operation of one and a half beamline as well as the Helmholtz research field Health does for half of a beamline. In all these fields both the experiments and the scientific environment need to be optimized to offer an optimum service to the users. This is only possible in close collaboration with future user and university groups dedicated to contribute to the further development of the experimental stations. In the last proposal round for the Verbundforschung thirteen groups have been successful. Their ideas and expertise is now included in the design of beamlines and end-stations Contents and goals The PETRA III storage ring is composed of eight arcs connected by four long (108 m) straight sections and four short (64 m) straight sections. Seven eighth of the ring have been refurbished with the magnetic lattice unchanged. In two long straight sections, in total 80 m of damping wigglers have been added to obtain a horizontal emittance of 1 nmrad. One eighth, located in the north-east of the DESY campus, was completely remodelled to free space for the installation of insertion devices. In this area a new experimental hall was built to house both the storage ring tunnel and fourteen independent undulator beamlines. The hall is covering an area of some m 2. In parallel the storage ring tunnel was completely emptied and after refurbishment the machine was installed again with a new vacuum system, magnet coils and power supplies, diagnostics, and a new cooling water system. With the start of the next POF period in 2010 the first experiments will begin with regular user operation. Therefore, one of the main goals for the period 2010 to 2014 will be to establish stable routine user operation for all 14 beamlines (see table). The year 2009 and part of 2010 will be dedicated to the commissioning of the beamlines and experiments. The most advanced beamlines will start operation with beam early They will continue user operation on the basis of peer-reviewed proposals in Other beamlines will follow in the course of 2010 to join regular user operation. However, already during the commissioning phase we will collaborate with users groups, mainly but not exclusively with those funded by Verbundforschung projects. We expect several user groups to make combined use of the DORIS III and PETRA III facilities. A significant fraction of users now working at DORIS III will complement their experiments using high-brilliance beams at PETRA III. Moreover actions will be taken to optimize the support for users e.g. in the nano-science and nano-analytic area by offering combined experimental facilities in the frame of a nanolaboratory. It will provide complementary analysis as well as sample production, handling and positioning tools to be established in the vicinity of the PETRA III experimental hall. In order to realize this laboratory a proposal for major investment has been submitted. 37

54 Planned programme topics Table of PETRA III beamlines: The electron optical function can be selected for each beamline to a high beta (140 µm horizontal RMS beam size) or a low beta (35 µm horizontal RMS beam size) value. The photon energy range as well as the responsible institutions are indicated. BL Name Energy range Institution P01 Dynamics beamline, IXS, NRS 5-40 kev DESY P02 Powder and extreme conditions kev DESY P03 Micro and Nano SAXS/WAXS 8-25 kev DESY P04 Variable Polarization XUV kev DESY P05 Micro- and nano-tomography / imaging 8-50 kev GKSS P06 Micro/nano-spectroscopy / fluorescence kev DESY P07 High energy materials science and diffraction kev GKSS/DESY P08 High resolution diffraction kev DESY P09 Resonant scattering / diffraction kev DESY P10 Coherence applications 4-25 kev DESY P11 MX-diffraction / biological imaging 8-25 kev MPI, HGF, DESY P12 BioSAXS 4-20 kev EMBL/GKSS P13 Macro molecular crystallography I 8-35 kev EMBL P14 Macro molecular crystallography II 5-35 kev EMBL For more efficient detection of photons especially at higher photon energies a detector development group has been set up focusing also on this specific issue. This activity is also the subject of a major investment proposal. Given these appealing facilities we expect to attract some of the most active research groups from Germany and all over Europe. Already now, the Max-Planck Society is involved with a financial contribution equivalent to one and a half beamlines. The EMBL, GKSS and the HZI contribute with entire beamlines or parts of end-stations. In the years to come it is expected that also other institutions will join PETRA III. We will continue to organize workshops to attract more users both individual and institutional to use the new facility and to open the available methods also to new user communities not using synchrotron radiation so far. Access to PETRA III will be organized using the established procedures of HASYLAB, i.e. in the same way as access to DORIS III beamtime through a peer review proposal system. On the long term we aim for an annual operation time of 5000 hours user mode operation. For each PETRA III beamline DESY intends to provide about 4-5 persons dedicated staff which is considerably higher than the staffing level at DORIS III. Hereby, the intention is to provide the best possible support for users at the more complex experimental equipment of PETRA III on one hand and at the other hand to give the scientists at the beamlines sufficient freedom and time to develop an own in-house research program. The latter possibility is mandatory for attracting and keeping top-level scientists and for the further development of the experimental techniques. The mid-term options to extend the capabilities of PETRA in the remaining two kilometres of the storage ring are: In the north a further experimental hall could be constructed for five to six beamlines. These experiments would use the radiation from damping wigglers installed in the long straight section and radiation from the first three bending magnets in the arc. Replacing the present bending magnets by shorter ones with a higher field opens the possibility to extract four X-ray beams with a critical photon energy of about 20 kev. The damping wigglers offer very intense, hard X-rays in a wide fan. Similar arrangements can be placed at the end of three further straight sections of the PETRA storage ring each time using either a damping wiggler or a long undulator insertion device and 3-4 bending magnets as radiation sources. 38

55 Photons After a shutdown of DORIS III it is proposed to realize at least one of these extensions in order to accommodate in part those DORIS III typical experimental techniques for which no equivalent is available at PETRA III at present and for which a large and productive user community exists Expected results, milestones After finishing the installation of the storage ring, technical commissioning of the machine will start in November First stored beam is expected for February 2009, and first light on the X-ray optics in March Very likely two beamlines will be prepared to start operation at that time. Following these two roughly one beamline per month will come into operation. The first beamlines are expected to start routine user operation in By end of 2010 all beamlines are expected to be in user operation mode. The construction of a support laboratory for experiments on nano-samples is expected for A second experimental hall for bending magnet and damping wiggler beams could be finished by 2013 with first beam in GEMS-P Centre: GKSS Personnel: 9 scientists, 1 doctoral student, 8 scientific support personnel Note: These numbers will increase significantly after the shutdown of the FRG-1 Contributing principal investigators: M. Müller, R. Willumeit, A. Schreyer The German Engineering Materials Science Centre (GEMS) is a novel concept, where GKSS will provide a worldwide unique infrastructure for complementary Research with Photons (GEMS-P) and with Neutrons (GEMS-N, see section 2.2.3) in the field of engineering materials science. After the shutdown of the FRG-1 at GKSS in 2010, GEMS will be the major point of access for users in scientific and applied engineering materials research with photons and neutrons. A common proposal system will enable the users to fully exploit the complementarities of the different probes. The users will have access to the Engineering Materials Science Centre (EMSC) at DESY as a part of GEMS, providing essential user support facilities for preparation and analysis in the vicinity of the GEMS-P beamlines. The EMSC will house GKSS personnel transferred from the nearby GKSS-site to DESY after the shutdown of the FRG-1. The EMSC has been applied for as major investment grant and will form the heart of the outstation of GKSS at DESY. GEMS-P comprises a suite of instruments at the DESY storage rings with an emphasis on the use of the new and most brilliant synchrotron radiation source PETRA III. Two high-energy beamlines (HARWI-II at DORIS III, HEMS at PETRA III), a beamline optimized for micro- and nano-tomography (IBL at PETRA III), and a small angle scattering beamline (BioSAXS 12 at PETRA III) address the requirements of research in engineering materials science over a wide range of X-ray energies and of spatial resolution Challenges The world record brilliance of PETRA III will provide extreme resolution in real and reciprocal space, allowing e.g. challenging diffraction experiments on the grain and sub grain level in polycrystalline materials, sub µm or even nm resolution tomography on samples ranging from engineering to biomaterials, experiments using the partial beam coherence such as phase contrast- and holotomography providing contrast between sample constituents where 12 collaboration with EMBL 39

56 Planned programme topics absorption contrast fails, experiments with extremely small foci in the nm range for spatially resolved scattering, and ultrafast in-situ studies of e.g. recrystallisation, phase transitions, and crack propagation for the study of processes like welding, casting, forming and fatigue. While the availability of the highly brilliant undulator radiation from PETRA III will open new research opportunities the accessibility of larger cross section wiggler radiation will remain essential to the users of GEMS-P e.g. for the investigation of large samples Current activities and previous work HARWI-II was constructed in at the site of DESY s first beamline for high-energy radiation HARWI (HArd WIggler) making use of a new wiggler providing a broad beam up to 7 1 cm 2 for the investigation of large strongly absorbing samples (e.g. global imaging, global texture analysis, investigation of macro stresses, etc.). The beamline is optimized for research with monochromatic and white beam, large view and moderate resolution, using high-energy X- rays ( kev). HARWI-II is in full user operation, highly overbooked and very well accepted in the engineering science community with experiments in the fields of texture, residual stress and structure analysis, absorption micro-tomography, and small-angle scattering. At the wiggler beamline BW2 at DORIS III about a third of the beamtime is made a available to users by the GEMS-P tomography team providing large field of view experiments in the energy range below that available at HARWI II (7-24 kev) for lower absorbing samples. The High Energy Materials Science (HEMS) beamline for research with high resolution, monochromatic, high-energy X-rays ( kev) from a 5 m in-vacuum undulator, and the Imaging Beamline (IBL), optimized for micro and nano-tomography with high resolution, monochromatic and coherent hard X-rays from a standard 2 m undulator, complementing the energy range of HEMS towards lower energies (5-50 kev), are currently being constructed at PETRA III. For the EMBL BioSAXS instrument GKSS contributes the detector tube and detector platform in a flexible design to allow rapid sample-detector distance changes over a range of m with an additional option for vertical lift (off-set mode for anisotropic scattering). A special temperature-controlled sample environment will also be provided by GKSS. Funding for the instrumentation of a separate nanofocus endstation for the DESY µsaxs/waxs beamline at PETRA III has been acquired from the BMBF Verbundforschung and is being constructed in close collaboration of the University of Kiel with GKSS. It will be optimized for scattering experiments with an X-ray beam of 100 nm diameter or smaller Contents and goals HARWI-II will continue to complement the new PETRA undulator beamlines concerning large field of view experiments or white beam options in the high-energy range for the investigation of highly absorbing samples in materials science. As a very successful beamline, HARWI-II will move to PETRA III when DORIS III is shut down. For this purpose a very attractive beam position at a PETRA III damping wiggler right next to the proposed GKSS EMSC has been reserved by DESY. Similarly, the lower energy micro-tomography activities at the DORIS III instrument BW2 will be continued at a new bending magnet beamline planned at PETRA III in time sharing mode with another experiment. HEMS will encompass fundamental research in the fields of metallurgy, physics and chemistry and applied research for manufacturing process optimization and smart material development. HEMS targets the materials science and engineering community allowing measurements of large structural components up to 1 t, 3DXRD (3d X-ray diffraction) investigations down to the single grain level, and automated investigations of large numbers of samples, e.g. for microtomography and texture determination with beam sizes in the mm 2 to µm 2 range. At IBL micro-tomography will answer questions from materials science (e.g. imaging and quantitative analysis of pores, cracks, precipitations, phase transitions) and solve problems in 40

57 Photons the area of biomaterials (e.g. implants). In the second experimental station, new focussing possibilities will extend the spatial resolution below 100 nm for µm-sized samples for nanotomography and imaging experiments. With the BioSAXS instrument GKSS will provide time-resolved measurements for the soft matter and life sciences user community, which has so far complementarily used the SANS facilities at FRG-1. Additionally, it will significantly contribute to the in-house research dealing with biomaterials and polymers. Scientific applications of the nanofocus endstation range from bio- to engineering materials, investigated in scanning diffraction experiments with the possibility of in-situ studies. Instrumentation for in-situ changes of temperature and/or mechanical stress will be adapted based on in-house experience with similar TEM equipment Expected results, milestones GEMS will allow users to fully exploit the complementarity of photons and neutrons in engineering materials research. With a special focus on dedicated user support, sample environment and novel in-situ devices, which results from the strong interplay with GKSS inhouse research (see section 2.4.4), GEMS will provide cutting edge research opportunities for the engineering materials community. There is a strong interest of the Helmholtz programme Advanced Engineering Materials (AEM, research field Key Technologies ) to use these facilities for research on lightweight structural materials, transport industry components and metal based biomaterials. Users will strongly profit from the results expected from the activities proposed for the bonus award for processing the large amounts of 2D-detector data obtained in tomography and scanning experiments. Important milestones are: Establishing GEMS with a common proposal and infrastructure system (2010). Full user service at HEMS and IBL (2010). BioSAXS commissioning (2010) and user operation (2011). Moving HARWI-II to PETRA III (right after DORIS III shutdown) Large-scale facility FLASH Centre: DESY Personnel: 54 scientists, 4 doctoral students, 107 scientific support personnel Contributing principal investigators: J. Feldhaus, R. Brinkmann, H. Chapmann, J. Rossbach, S. Schreiber, E. Weckert FLASH is worldwide the only operational free-electron laser facility for vacuum-ultraviolet and soft X-ray radiation. It delivers sub-100 fs pulses with high repetition rate and peak intensities of µj in a wavelength range tunable from ~50 nm down to 6.5 nm in the first harmonic. A femtosecond optical laser synchronised with the FEL is available for two-colour pump-probe experiments. On average, ~ 2300 hours of beamtime per year have been allocated to user experiments since summer The remaining time is used for upgrades and further developments of the facility in order to enhance the opportunities for science applications. 41

58 Planned programme topics Challenges Free electron lasers (FELs) are on the verge of providing ultra-short and extremely intense laser pulses over a wide, continuous spectral range down to hard X-ray wavelengths below 0.1 nm. These new laser sources allow tackling several challenges of science and technology that cannot be addressed by any other radiation source at the present times. Precision laser spectroscopy can be extended into the X-ray regime and applied, for example, to highly charged ions (HCI) prepared at low densities in an electron beam ion trap (EBIT). HCI constitute a dominant fraction of matter in stars, supernovae, near-stellar clouds and jets from active galactic nuclei, which have been explored with high accuracy in recent satellite missions. Precise knowledge of the line spectra of HCI is indispensable for the understanding of these objects as well as for earthbound plasmas like in fusion research. In addition, HCI with their simple electronic structure provide an ideal testing ground for theory. For example, bound-state few-electron QED can be tested at extremely strong fields with unprecedented accuracy. These experiments are complementary to those carried out at the HITRAP facility at GSI (Chap ). Another great challenge that can be addressed for the first time is to observe directly the ultrafast dynamics of matter at the nanoscale. So far it has only been possible to observe relatively slow changes of structure or to infer dynamical effects indirectly from other measurements. Many important physical, chemical and biochemical processes, however, evolve on the femtosecond time scale and at the molecular and sub-cellular level, requiring nanometre resolution. FEL pulses are sufficiently intense and as short as the vibration period of molecules or even electronic transitions in order to take femtosecond snapshots of the spatial and electronic structure of individual molecules, clusters, biological or other nanoscale objects with the required resolution Current activities and previous work The FLASH facility has been constructed after the successful proof-of-principle FEL experiments around 100 nm wavelength at the TESLA Test Facility (TTF) at DESY in Remarkable machine performance has been achieved with wavelengths tuneable down to 6.5 nm, long bunch trains with variable bunch spacing ranging from single bunch to several hundred bunches at MHz repetition rates, and high peak intensities of up to 170 µj. The performance of the facility is continuously being improved with strong activities in the areas of stable FEL operation and synchronisation, the development of improved diagnostics and controls, and the development and integration of advanced instrumentation for user experiments. The latter include a Raman-spectrometer with unique spectral, spatial and temporal resolution for the investigation of strongly correlated materials, atoms and molecules, and bio-materials, a new THz beamline providing intense few-cycle pulses at the micro-joule level strictly synchronised with the XUV FEL pulses for new applications in solid state physics and biology, and a few-cycle optical laser system with high repetition rate and mj pulse energy for two colour pump-probe applications with femtosecond resolution as well as for producing high-harmonic generation (HHG) pulses for a seeded FEL. User experiments have been covering a broad range of applications and have attracted worldwide attention due to many new discoveries and unexpected results. The projects can be grouped into four broad categories: 42 Femtosecond time-resolved experiments dealing both with technical developments and the first pump-probe experiments. Studies of the interaction between extreme-ultraviolet radiation and matter, including experiments dealing with multi-photon excitation of atoms, molecules and clusters. The first diffraction experiments on artificial as well as biological nano-objects have successfully demonstrated that images can indeed be taken and structures resolved with a single FEL pulse even though the objects explode after the radiation impact. This result is particularly important for research groups aiming to determine the structure of large biological objects from non-crystalline samples.

59 Photons Investigations of very dilute samples. These projects deal with the photodissociation of molecular ions, spectroscopy of highly charged ions, and mass-selected clusters. Research on surfaces and solids including experiments on laser induced desorption, surface dynamics, luminescence, Raman and photoelectron spectroscopy of surfaces and solids with nanometre spatial resolution. During a first round of user experiments from mid 2005 to spring 2007, approximately 200 scientists from 11 countries were actively involved in 18 peer reviewed projects at FLASH. Most of the researchers are working in large collaborations consisting of several teams. Many of these teams have built new dedicated instrumentation for their experiments at FLASH. During the second round of proposals receiving beamtime from fall 2007 to spring 2009, the number of projects has already almost doubled to Contents and goals The FLASH facility serves essentially three purposes: (1) It provides FEL laser light for users in order to explore the full range of new science opportunities and to fully exploit the unique beam properties for the most relevant and promising applications. This is supported by several activities of the PNI in-house research programme at DESY and, in particular, by the newly founded Centre for Free Electron Laser Science (CFEL) on the DESY campus. (2) The science applications at FLASH and the experimental methods used are preparing the way for using shorter wavelength FELs such as LCLS, SCSS and the European XFEL. In this regard, the experience gained at FLASH helps to sharpen the science cases of upcoming XFEL facilities and to determine the need for extending the user capacity at FLASH to meet the requirements of the PNI programme. (3) A significant amount of time at FLASH is used for further development of the FEL source and beamline instrumentation. This includes the generation of a highly stable, high quality electron beam, the development and integration of seeding concepts for producing well defined FEL pulses with ultimate timing precision, efficient beam distribution, advanced photon diagnostics and optical laser systems and other instrumentation. These continuous technical developments are strategically important for DESY as well as for PNI in order to maintain Germany s leading position in this field and to provide world-class conditions for international users and the PNI programme. The energy upgrade of FLASH planned in 2009 will extend the opportunities for the science programme particularly in the field of organic and magnetic materials. The fundamental wavelength of FLASH will then target for the carbon K-edge at 4.4 nm, which is highly important in studies of organic molecules. Such investigations will be key to understanding deep core excitations and damage mechanisms of organic matter by irradiation with intense X-ray pulses. The third harmonic of the FEL with about photons per pulse will cover the deep-water window (down to the oxygen K-edge at 2.3 nm) and also the L 3 edges of the 3d elements down to wavelength of <1.5 nm, allowing imaging of biological samples and the study of fast dynamics of magnetic systems, respectively. In parallel to the energy upgrade it is foreseen to add a HHG seeded FEL section to the present SASE FEL including a station for high-resolution pumpprobe experiments in order to test and develop this technology for a future extension of the FLASH facility. Consequently, a significant boost in user demand for beamtime is expected following these upgrades while it does not appear possible to increase user beamtime significantly in the next years with the existing facility. Already now the beamtime capacity of FLASH is far too small for the growing demand as FLASH is worldwide the only operational free-electron laser facility for vacuum-ultraviolet (VUV) and soft X-ray radiation. It is therefore proposed to build a second FEL undulator line and experimental hall (FLASH II) in close collaboration with HZB, which will share the existing linear accelerator with the current FLASH undulator line. The new FEL will be located in a separate tunnel providing access to the new FEL beam without interfering with the operation of the original FEL, thus keeping the necessary shutdown time for installation of the new capacity to a minimum, and providing regular opportunities for R&D work. An electron beam switch will distribute the accelerated electron packets between the two undulators, essentially doubling the available user beamtime. 43

60 Planned programme topics For the FLASH II FEL it is planned to apply different seeding schemes and variable gap undulators in order to enable high quality photon beams at different wavelengths quasisimultaneously for two experiments. In addition, the FLASH II extension will have a strong synergy with developments for the European XFEL, because compatible technologies will be employed for both facilities. Thus, FLASH II can benefit from developments on-going at the European XFEL while providing the worldwide only test bed for many key components, such as electron beam and photon beam diagnostics, etc. before XFEL operation starts Expected results, milestones Results from FLASH are expected in the three scientific areas outlined above under All 32 science projects currently active at FLASH are making good progress; many of these groups have already had several beamtimes at FLASH during the last three years and have published first results in high-impact journals. It is expected that the large majority of new projects that will be selected for beamtime after the shutdown in 2009, will be run by teams that have significant experience from previous work at FLASH, i.e. their experimental equipment and methodology has been tested and works, they know which experiments are feasible, and they will, therefore, be able to make full use of the new beam properties including the extended possibilities after the upgrades in Consequently, it can be expected that the scientific results and the number of publications in high-impact journals will increase significantly in the coming years. It is expected, however, that the extended photon energy range after the upgrade will also attract totally new user communities, especially if FLASH will be successful to reach the carbon K-edge in the first harmonics and the L-edges of 3d elements in the third harmonics. Many of the scientific projects at FLASH would like to use shorter wavelengths at the European XFEL and other upcoming facilities in the future. The work at FLASH will result in well-defined and high-quality proposals for these new facilities, e.g. in the areas of coherent diffraction imaging, atomic and molecular physics, warm dense matter physics and ultrafast dynamics. Finally, it is expected that the technical research and development programme at FLASH will result in significantly enhanced overall performance of the facility, including higher stability and reliability in a wider spectral range, improved synchronisation of the FEL with optical lasers at the 10 fs level, and, in the long run, an additional FEL beamline based on seeding and variable gap undulators with additional experimental stations for serving a larger user community. Important milestones are: Successful completion of scientific projects with publications in high-ranked journals. Installation of various upgrades in Successful recommissioning of FLASH after the shutdown in 2009 with extended photon energy range, higher pulse energy and increased stability when using the new 3.9 GHz cavities. Successful commissioning of the HHG seeding project (sflash). Positive funding decision for FLASH II; successful design, construction and commissioning of FLASH II. 44

61 Photons DESY-participation in XFEL Centre: DESY Personnel: 104 scientists, 3 doctoral students, 123 scientific support personnel Contributing principal investigators: M. Altarelli 13, R. Brinkmann, A. Schwarz 13, T. Tschentscher 13, H. Weise The European XFEL will be organized as an international project (XFEL GmbH). The facility will extend from the DESY site in Hamburg over 3.4 km towards south of the city of Schenefeld (Schleswig-Holstein). In its final stage a 17.5 GeV superconducting linac will drive three SASE undulators providing transversely coherent X-ray laser light in a wavelength range from 6 to 0.1 nm and two spontaneous radiation undulators for very short hard X-ray pulses. The photon pulses will be ~100 fs long delivering to more than photons per pulse, which results in a peak brilliance of about ph/s/mm 2 /mrad 2 /0.1%BW. Two to three experimental stations will be served by each FEL-undulator beamline. XFEL radiation will be truly revolutionary since it will allow probing matter on extremely short timescale and at the resolution of interatomic distances Challenges Photons of different wavelengths are one of the most powerful tools to probe various phenomena of nature. The penetrating properties and short wavelengths of X-rays allow for probing geometrical arrangements of atoms on the length scale of inter atomic distances, and for revealing spectroscopic information by the excitation especially of closely bound electrons also of heavier atoms. The invention of gas and solid-state lasers, with their high brilliance, spatial coherence and, in more recent decades, ultra-short pulses of a few femto-seconds duration or less, has revolutionized the use of infrared, visible and near ultraviolet light. Such achieved time scales are of particular importance because atoms in molecules and solids oscillate around their equilibrium positions with typical periods of a few hundreds of fs. Moreover, movements of atoms during the rearrangement of their positions in chemical reactions, or phase transformations also occur on a similar time scale. In the range of ultraviolet, soft X-ray and hard X-ray wavelengths, great progress has been achieved by the exploitation of synchrotron radiation, which, however, is far less brilliant than a powerful laser. It has only a limited degree of spatial coherence, and it typically comes in pulses of ~100 ps = 100,000 fs duration. The objective of the modern projects for the realization of X-ray free-electron lasers is the extension of the scientific and technological revolution, achieved by lasers in the visible light range, to the X-ray range, providing spatially coherent pulses of <100 fs duration, with peak powers of many GW. The extremely high pulse intensity for example can be used to produce highly ionized states of atoms, generating conditions and processes as they occur in interstellar gases in a laboratory environment. In conjunction with the ultra short pulse duration, tracking of the displacements and rearrangements of atoms and chemical bonds during chemical reactions can be revealed by optical laser pump-and-xfel-probe experiments. In this way, catalytic mechanisms in chemical and biochemical reactions can be elucidated, fast reactions (e.g. combustion) can be subject to detailed investigation, nucleation of ordered phases at phase transitions can be imaged, and hitherto inaccessible states of matter can be brought to experimental investigation. If the pump pulse is sufficiently powerful to produce plasma the X-ray probe pulse can still penetrate the highly ionized medium (opaque to visible light) and provide information on the propagation of the shock front, on the time evolution of temperature and pressure distributions, and on the equation of state. 13 Members of the XFEL GmbH (to be founded in February 2009). 45

62 Planned programme topics The XFEL s coherence properties can be used for holographic and lens-less imaging in materials science and in biology. Spectacular possibilities open up, as detailed theoretical studies and simulations predict that with a single very short and intense coherent X-ray pulse from the XFEL a continuous diffraction pattern may be recorded from a non-translational periodic object like a cell, a large virus, or a large macromolecular machine without the need for crystalline periodicity. This would eliminate a formidable bottleneck for many systems of high interest, e.g. viruses and viral genomes. Measurement of the over-sampled X-ray diffraction patterns permits phase retrieval and hence structure determination. Although, the very intense X-ray pulse will eventually destroy individual samples a three-dimensional data set could be assembled, when copies of a reproducible sample are exposed to the beam one by one Current activities and previous work The basic technology underlying the European XFEL facility is the superconducting linear accelerator technology, developed by an international collaboration coordinated by DESY, with the initial objective to create TESLA (Tera-Electronvolt Superconducting Linear Accelerator), an electron-positron linear collider with TeV energy, for particle physics studies. It was soon realized that this type of innovative linear accelerator provides electron beams with ideal characteristics for an X-ray free-electron laser. Proposals to build a free-electron laser, first as a side branch of the linear collider, and later as a self-standing facility were put forward by DESY to the German government. The construction of a test facility (TESLA Test Facility 1, or TTF1) was undertaken, and lasing down to ~90 nm wavelength has successfully been demonstrated in TTF2 had the more ambitious goal to push lasing to 6.5 nm wavelengths, with a 1 GeV linear accelerator. This was achieved in October 2007; in the meantime, a vigorous user programme was started in August 2005 in the experimental hall downstream of the FEL, forming what now is called the FLASH facility. In 2003 the German government decided to launch the proposal to constitute a European Facility for the construction and operation of an X-ray freeelectron laser in Hamburg, undertaking the commitment to finance the new facility by contributing up to 60% of its construction costs, and up to 40% of the operation costs. The choice of the location in Hamburg is motivated by the possibility to take advantage of the unique experience and know-how of the DESY machine division in the area of superconducting linacs, and of the possibility to gain first-hand experience on the operation of an FEL through the FLASH facility. In order to accomplish the international project organisation for the realization of the XFEL as an European project, early in 2004, an International Steering Committee (ISC) has been established as a result of a Memorandum of Understanding, initiated by Germany and signed by up to now 13 other countries. ISC has initiated two working groups, one for scientific and technical issues (STI) and one for administrative and financial issues (AFI). Under the guidance of STI a technical design report for the European XFEL has been completed in July 2006 and was later approved by ISC. The total construction costs for the full facility were estimated to 986 M in 2005 prices, not including commissioning and the preparation phase. Since then intense negotiations with European and international partners (Russia, China) on funding issues are ongoing. On June 5 th, 2007 the official project start was announced on the basis of an initially de-scoped start version at 850 M construction costs (in 2005 prices). The start version contains three out of the initially planned five undulator lines and 6 out of 10 experimental stations. Effective autumn 2008 the status is as follows: (i) financial and in-kind contributions worth about 1050 M (including funds for the preparation phase, commissioning and some risk budget due to increased prices for energy and raw materials) are agreed upon among the international partners, (ii) all administrative and legal issues among the participating countries have been resolved and signing of an Intergovernmental Convention for founding the XFEL GmbH is envisaged for early 2009, and (iii) the bids following a call for tender for the civil construction have been evaluated and the placement of the order for the construction work is planned for late Parallel to the administrative, legal and finance discussion intense preparation work on technical design, industrialization of components, evaluation of costs and schedules and on an international project organisation were pursued. The discussions about all in-kind contributions 46

63 Photons to the construction of the accelerator complex have been far advanced. All technical developments are planned and carried out taking into account experiences made at FLASH. The superconducting XFEL linac will use niobium cavities. The production technique has meanwhile matured such, that the XFEL design gradient can be achieved reliably. Already the first industrial prototype of an XFEL klystron surpassed the design parameters. In preparation of the series production for the XFEL linac a cryomodule test bench hall has been completed. To facilitate and to guide the planning for the installation of all components into the XFEL linac tunnel a 50 m long mock-up tunnel has been completed which proves to be invaluable for the design of the installation crafts and tools. The planning for a cavity and accelerator module test facility for the XFEL series production are advanced such, that ground breaking is envisaged for early One of the most critical parameters for every FEL is the performance of the electron gun especially with respect to emittance, peak current and pulse length. The Photo Injector Test facility at DESY Zeuthen site, (PITZ) focuses on the development, test and optimization of high brightness electron sources for superconducting linac driven FELs. Currently, the PITZ facility contains a normal conducting RF gun with a cathode load lock system, a laser system able to generate long pulse trains with temporal and transverse laser beam shaping, a booster cavity and a rich set of diagnostics elements. PITZ characterized and optimized the electron source driving the FLASH facility since Measurements of beam properties during a high gun gradient operation (60 MV/m) demonstrated for the first time that the level of beam quality required to drive the European XFEL is in reach Contents and goals The main components of the XFEL-facility are: (i) injector at the DESY site, (ii) super conducting linear accelerator, (iii) electron beam distribution system, (iv) SASE undulators, (v) photon beamlines, and (vi) instruments in the experiments hall. DESY will be the coordinating laboratory of an international consortium in charge of providing all accelerator systems (i-iii). The undulators and experiments (iv-vi) will be taken care of by the XFEL GmbH, which will also be in charge of the overall supervision of the project. A schematic layout of the facility is given in the figure below. Schematic layout of the XFEL facility starting on the DESY site and extending into the federal state of Schleswig-Holstein, south of the city of Schenefeld, where the experimental hall will be located. 47

64 Planned programme topics In the injector electron bunches are extracted from a solid cathode by a laser beam, accelerated by an electron RF gun and directed towards the linear accelerator with an exit energy of 120 MeV. In the linear accelerator electrons are accelerated to energies of up to 17.5 GeV. Along the accelerator, two stages of bunch compression are located, to produce the short and very dense electron bunches required to trigger the SASE-FEL process. At the end of the linac, the individual electron bunches are distributed to the different undulators. Electron bunches deflected into beamline 1 pass through the undulators SASE1 and SASE3, producing hard X- ray photons with 0.1 nm wavelength (SASE1) and softer X-ray photons with nm wavelength (SASE3). Electron bunches deflected into undulator SASE2 will produce hard X-ray photons with wavelengths nm. The used electron beam after SASE2 is fed through two further undulators U1 and U2 for the generation of very hard X-ray photons by the spontaneous emission process. U1 and U2 are not part of the startup version of XFEL. The installation and commissioning of the accelerator, the undulators, beamlines and experimental stations will take place gradually, according to a strategy for the achievement of intermediate and final goals of the facility, which was established with the advice of the STI working group. As recommended by the STI working group, a number of criteria for the start of operation of the accelerator complex, the SASE radiators, and the beamlines were adopted: (i) The accelerator complex and SASE1 are considered to be operational as soon as on SASE1 a photon beam is obtained, that fulfills among other criteria a minimum peak brilliance of ph/s/mm 2 /mrad 2 /0.1%BW at 0.2 nm wavelength and sufficient equipment is installed and commissioned to perform first calibration and scientific experiments. (ii) SASE2 is operational when the same criteria as above are fulfilled for wavelengths between 0.2 and 0.4 nm. (iii) SASE3 is considered operational as soon as the same criteria as above are fulfilled for wavelengths between 2 and 6 nm. For the development of the electron gun, the upgrade of the beam diagnostics for PITZ will be finished up to the end of the year 2010 and subsequent long beam operation periods will allow an extensive experimental optimization of the electron source for the XFEL baseline parameters. PITZ will serve as a test bed for improvements on low level RF, photo cathodes and cathode lasers. Beyond the baseline XFEL requirements PITZ will continue injector developments in a broader range of electron beam parameter space, including lower charge and emittance bunches and higher duty cycles. In addition to the ongoing work at the photoinjector a general R&D programme aiming for improvements of accelerator driven light sources has been initiated at DESY Zeuthen. Following the positive experience at the FLASH facility, developments towards the final project goals on all beamlines will proceed in parallel with early user operation. After intense discussions STI has recommended to start with the following experimental stations: Ultrafast Coherent Diffraction Imaging of Single Particles, Clusters, and Bio-molecules: Structure determination of single particles: atomic clusters, bio-molecules, virus particles, and cells. Materials Imaging & Dynamics: Structure determination of nano-devices and dynamics at the nanoscale. Femto-second Diffraction Experiments: Time-resolved investigations of the dynamics of solids, liquids, and gases. High Energy Density Matter: Investigation of matter under extreme conditions using hard X-ray FEL radiation, e.g. probing dense plasmas. Small Quantum Systems: Investigation of atoms, ions, molecules and clusters in intense fields and non-linear phenomena. Soft X-ray Coherent Scattering: Structure and dynamics of nano-systems and of nonreproducible biological objects using soft X-rays. 48

65 Photons While the first four experiments are aiming for photon wavelengths between 0.1 and 0.4 nm, the last two will use soft X-ray radiation from SASE3. For an efficient scientific use of FELs, DESY, Max-Planck-Society and University of Hamburg have established a Centre for Free Electron Laser Science (CFEL) at the Bahrenfeld campus Expected results, milestones The European XFEL will be a user facility providing SASE-FEL pulses with about to photons within ~100 fs duration to initially six experimental stations in an photon energy range from 200 ev to more than 12 kev. The superconducting linac will have the capability to accelerate up to pulses per second. This high pulse rate will make the XFEL the most brilliant photon source worldwide. The high pulse rates are a tremendous advantage as compared to other X-ray FEL projects (LCLS in Stanford and SCCS at Spring8) for the investigation of extremely dilute samples such as e.g. trapped highly charged ions. The design of the XFEL with respect to the civil engineering as well as to the accelerator complex will be flexible enough for future developments and extensions. The main milestones are: End 2008: End 2012: End 2013: 2014: End 2015: Start of civil constructions Linac components series production completed Accelerator installation completed First beam in Linac and SASE lasing at 0.2 nm All beamlines operational and SASE lasing at 0.1 nm 49

66 Planned programme topics 2.2 Neutrons Spokesperson of the topic: Thomas Brückel Contributing Centres: FZJ, GKSS, HZB FZJ 23% Personnel: 125 scientists, 12 doctoral students, 157 scientific support personnel Contributing principal investigators: M. Müller, R. Willumeit, H.-G. Brokmeier, A. Schreyer, J. Banhart, C. Pappas, A. Tennant, Th. Brückel, A. Ioffe, M. Monkenbusch, D. Richter, W. Schweika HZB 61% Topic costs 2010: 56.8 M GKSS 16% Introduction to the topic Major progress in neutron optics, detectors, sample environment and methods revolutionizes neutron scattering. These gains significantly augment its range of application 14, making entirely new and much more challenging experiments possible. Neutrons will increasingly contribute to the solution of grand challenges. Examples include: space and time resolved studies of micro and nanostructured materials are essential for the development of key technologies; the sensitivity to hydrogen makes neutrons a unique analysis tool for rational hydrogen storage material design for a possible future hydrogen based energy economy; in vivo studies of bio-molecular complexes enable a better understanding of physiological processes, on how to cure diseases, and how to design more specific pharmaceuticals; etc. JCNS 23% GEMS- N 1% FRG-1 15% BER II 61% -Germany is blessed with a large, vibrant and experienced user community. About 900 neutron users from universities, research institutes and industry are registered in the data base of the German Committee for Research with Neutrons KFN 15, making it one of the largest communities worldwide. This represents a high degree of success and national excellence in neutron sciences which is also reflected in the key involvement of Germany in the European provision of neutrons and their application. Research with neutrons cannot resort to laboratory scale equipment and crucially relies on large-scale facilities. Within Germany, the design, construction and operation of large-scale facilities for the benefit of the scientific community is a genuine task of the Helmholtz association. Facing the commissioning of the reactor FRM II, the Helmholtz association rationalized the provision of neutron sources in Germany. Of the initially three reactors in the Helmholtz Association, the FRJ-2 reactor (FZJ) has been permanently shut down in 2006, followed by the projected closing of the FRG-1 reactor (GKSS) in Only the medium flux reactor BER II of HZB will remain in operation. BER II and FRM II are essential components in the international network of neutron sources. The new common user platform of HZB (including the former Berlin Neutron Scattering Centre BENSC) with BER II fulfils a role similar to the other neutron centres at medium flux sources, such as SINQ at the Paul Scherrer Institute, the Laboratoire Leon-Brillouin in Saclay, France, and NIST, USA, in providing innovation, complementary laboratories, some unique facilities (sample environment, access to BESSY II) and competence in focal areas (magnetism and nanoscience). FRM II provides flux and 14 See e.g. the scientific case in the strategy paper of the KFN ( or in the recent neutron review on behalf of the British science ministry ( 15 The Komitee Forschung mit Neutronen KFN ( is an elected body representing German neutron users. 50

67 Neutrons instrumentation approaching the internationally leading facility at the Institute Laue Langevin (ILL) in Grenoble. The common user platform at HZB offers at the research reactor BER II a set of focussed instrumentation suites for neutron scattering, neutron tomography and radiography. The specialised instrumentation and advanced sample environments (DEGAS, very high field magnet), complemented by state-of-the-art laboratories (e.g crystal preparation, bio-sample preparation) at HZB focus on complex experiments under special conditions. An ambitious upgrade programme is in progress. Further, the merger of the former HMI and the former BESSY into HZB paves the way for a most integrated research platform for neutrons and photons. After the shutdown of the FRJ-2 reactor, FZJ has transferred instruments to FRM II. A qualitatively new structure was created within the Helmholtz association, the Jülich Centre for Neutron Science (JCNS). JCNS operates instruments at the national and international leading sources FRM II, ILL and SNS under a common scientific objective and a common user program. It also provides a frame for the well recognized method and instrument development programme of FZJ and for its in-house research focussing on soft matter and nanomagnetism. With the projected shutdown of the FRG-1 reactor in 2010, Germany will lose its neutron user facility with strong focus in the field of engineering materials science. GKSS will transfer its resources to the new German Engineering Materials Science Centre (GEMS), which will consist of a photon branch (GEMS-P) based at DESY and a neutron branch (GEMS-N) with instruments at FRM II. Offering a common user platform for photons and neutrons with a focus on engineering material science is a central part of the strategy of GKSS. Complementary experiments with synchrotron radiation are essential for the in-house research programmes of all three neutron centres, see section 2.4. The FRM II reactor in Garching is operated by the Technical University of Munich (TUM) with the main budget provided by the State of Bavaria. With its high flux and modern neutron guide concept, the FRM II has the potential to become one of the leading neutron facilities worldwide. All three Helmholtz centres, FZJ, GKSS and HZB have contributed to the instrumentation of this source, with JCNS providing by far the largest part. With a total of 31 instruments being operational or under construction, all major beam ports are now occupied. Additional space has to be made available for a further extension of the instrument suite. In order to establish a true national user facility at this powerful source, the German Federal Ministry of Education and Research BMBF will provide dedicated resources for the scientific exploitation of FRM II on an equal footing between the Helmholtz centres and TUM. To achieve maximal synergies, it is planned to create joint service and project departments under a central management and develop a joint user programme for all instruments build by the Helmholtz centres, TUM, various German university groups, and the Max Planck Society. The two sources BER II and FRM II complement each other. To give an example, FRM II is well suited for flux hungry instruments, such as polarization analysis or high resolution spectroscopy, while experiments requiring special sample environment are a realm of the common user platform at HZB. The concentration of resources on only two neutron sources in Germany makes a tight reconcilement necessary, which will be achieved by regular PNI coordination meetings for method- and instrument development. The new generation spallation sources SNS in the US and JSNS in Japan went into service and are currently ramping up to the MW power regime, thereby challenging the European lead in research with neutrons. Following the ESFRI recommendations, a coordinated European decision to construct a next generation multi-mw spallation source in Europe is urgently needed. An essential part of our strategy is to actively contribute to the development and scientific exploitation of MW spallation sources, by participating in the instrumentation of SNS, by continuing research on spallation source technology and novel instrumentation in order to pave the way for the future European Spallation Source ESS. 51

68 Planned programme topics In the upcoming POF period, training and education of young researchers as well as attracting new users from less established fields to research with neutrons will remain a central task for all Helmholtz centres. Hands-on laboratory courses for neutron scattering have a long tradition at FZJ and HZB. GKSS, together with DESY, has started to offer a school about application of neutrons and synchrotron radiation in engineering materials science. JCNS has put into practice a strategy to attract users from the less represented Chemistry-, Geosciences- and Biologycommunities to neutron scattering by initiating instrument projects involving the future user groups. Application of neutron techniques in new fields together with the rising complexity of samples or problems implies several consequences: (i) many users are no more neutron experts, and the centres have to offer highly qualified support to ensure successful experiments; (ii) the centres have to provide not only the neutrons, but adjoined laboratories for dedicated complementary measurements; (iii) for more complete information, several probes have to be applied to the same sample; (iv) specialized data analysis and simulation software with a user friendly graphical interface is needed also for non-standard techniques such as off-specular scattering under grazing incidence. Such a "ternary spectrometer" is essential in order to make these techniques accessible also to the non-specialist and thus to attract new user groups. All PNI centres intend to join forces in order to develop a common standard. Special funding is asked for this activity as bonus award Large-scale facility FRG-1 Centre: GKSS Personnel: 14 scientists, 1 doctoral student, 37 scientific support personnel Contributing principal investigators: M. Müller, R. Willumeit, H.-G. Brokmeier, A. Schreyer The FRG-1 research reactor at GKSS is a 5 MW swimming pool type reactor operated with low enriched Uranium. The 50 th anniversary of FRG-1 was celebrated in October Following continuous modernisations and upgrades the reactor is still in excellent shape. After the last upgrade of the reactor core in 2000 the FRG-1 now provides an unperturbed neutron flux of neutrons/(cm 2 s) making it a medium flux reactor despite its comparably small power. After the shutdown of the FRJ-2 in Jülich in 2006, the FRG-1 delivers the second highest neutron flux in Germany after the new FRM II in Munich, closely followed by the BER II at HZB. An exchange and modification of the shape of the moderator vessel of the cold neutron source of the FRG-1 has created a further flux increase of e.g. 40% at the reflectometer NERO in A Round Robin Study on all SAXS and SANS Instruments within the programme PNI revealed that GKSS instruments are highly competitive in their performance with those at other reactors Challenges In line with a political decision to close older reactors with the advent of the new reactor FRM II near Munich the PNI review and the Helmholtz senate commission have recommended closure of the reactors FRJ-2 (FZJ) and FRG-1 due to financial limitations. FZJ and GKSS have been asked to present transition scenarios to other large-scale facilities. Whereas FZJ has already closed the FRJ-2 in May 2006, GKSS is, however, expected to run the FRG-1 until the middle of In preparation for the shutdown of the FRG-1 the engagement of GKSS at external largescale facilities (FRM II, DORIS III, PETRA III) has to be further increased in line with the recommendations of the last PNI review. 52

69 Neutrons Current activities and previous work In the German large-scale facility landscape, GKSS plays the role of the major centre for engineering materials science. As a consequence the FRG-1 instrumentation is unique on an international scale in its concentration of the majority of instruments on engineering materials research 16. Historically, this originates from the strong in-house research interests of the GKSS Institute of Materials Research and meets the growing demand by external users and industry. The second focus is on instruments for the investigation of biomaterials as well as soft matter and magnetic nanostructures due to corresponding user demand and external funding. About two thirds of the beamtime at the FRG-1 is provided to external users (typically per year) from universities, research organisations and industry. Nearly half of the external use is focussed on engineering materials science, the rest is split between physics, chemistry, biology and geoscience. The average overbooking factor is 40% with nearly a factor of two on some instruments. Within the EU funded NMI3 access programme more than twice the available beamtine was requested by European users in recent years highlighting the position of the facility on an international scale Contents and goals Based on a decision of the supervisory board of GKSS the operation and scientific use of the FRG-1 will be continued until mid-2010 to provide continuous access to neutron experiments for the purpose of external users and GKSS in-house research. After the shutdown of the FRG-1 further resources will be transferred to the GKSS outstations at the FRM II (GEMS-N) and DESY (GEMS-P). This strategy involves a shift of GKSS activities from neutron scattering to the use of synchrotron radiation, providing additional fascinating research opportunities. It is planned to provide an integrated access scheme for external users to all GKSS operated neutron and photon instrumentation Expected results, milestones After the shutdown of the FRG-1 in mid 2010 and the transfer of activities to external large-scale facilities GKSS will operate world class synchrotron and neutron experiments at the world s premier new sources, providing a qualitative leap of its experimental and scientific capabilities. GKSS will be able to offer the use of synchrotron radiation and neutrons especially in the field of engineering materials research in a world unique way out of one hand. Details about the instrumentation at the GKSS outstations as well as the corresponding milestones are specified in the following chapter GEMS-N and GEMS-P (Topic Photons, section 2.1.6) GEMS-N Centre: GKSS Personnel: 4 scientists, 1 doctoral student, 4 scientific support personnel Note: These numbers will increase significantly after the shutdown of the FRG-1 Contributing principal investigators: M. Müller, H.-G. Brokmeier, A. Schreyer The German Engineering Materials Science Centre for Research with Neutrons (GEMS-N) and with photons (GEMS-P, see topic Photons) are complementary facilities embedded in the Institute of Materials Science of the GKSS Research Centre. GEMS will be the major point of access within the Helmholtz Association for users in scientific and applied engineering materials research with photons and neutrons. The instruments of GEMS-N at FRM II and potentially at 16 For details see: 53

70 Planned programme topics ILL will replace and extend those operated currently at the FRG-1 after its shutdown and complement the photon beamlines of GEMS-P. GEMS-N instrumentation will continue to be unique worldwide in its concentration on engineering materials research. The second smaller focus will remain on instruments for the investigation of biomaterials as well as soft matter and magnetic nanostructures Challenges The main challenge will be to achieve a full integration of GEMS-N with GEMS-P (including the Engineering Materials Science Centre at DESY) allowing users to fully exploit the complementarity of photons and neutrons in engineering materials research, e.g. by combining fast in-situ experiments of engineering processes with photons at DESY with neutron measurements on large finished components at FRM II with user support from the same specialized team Current activities and previous work The instrumentation of GEMS-N currently comprises the reflectometer REFSANS, contributions to the small-angle scattering instrument SANS-1 and the materials diffractometer STRESS-SPEC. All instruments are located at FRM II. REFSANS was funded by the BMBF Verbundforschung and built in co-operation with the TU- Munich. The instrument is a unique ToF reflectometer for measuring both specular and offspecular reflectivity and grazing incidence small-angle neutron scattering (GISANS) from solid samples as well as from the air-liquid interface. REFSANS has been successfully commissioned in 2005 and 2006 and user operation has started in The instrument allows for high resolution measurements covering a large range of momentum transfer and ToF- GISANS-measurements. Since 2005 GKSS designs and builds the new small-angle scattering instrument SANS-1 at FRM II in co-operation with the Technische Universität München. Due to the superiority of neutrons concerning strain and texture measurements of large samples, the availability of this technique is essential for GKSS also in the future. Therefore a collaboration with HMI (now HZB) and FRM II regarding the operation of STRESS-SPEC at the FRM II was launched in Together with the Technical University of Clausthal (Prof. H.G. Brokmeier) GKSS contributes the texture competence to the STRESS-SPEC team Contents and goals REFSANS will be equipped with neutron polarisers and analysers to allow fully polarized investigations of magnetic structures for reflectometry as well as for GISANS investigations. Due to its design as an advanced ToF machine and its optimisation for GISANS measurements a polarisation option at REFSANS will nicely complement other existing or future instruments at the FRM II. The chopper system will be improved to increase the transmission and to allow for inelastic investigations. In co-operation with LMU-Munich and supported by a BMBF project a further beam guide will be installed in REFSANS to increase the maximum incidence angle on a air-water surface from currently ~ 48 mrad to ~ 150 mrad. SANS-1 at FRM II will begin operation in The instrument will be one of the leading SANS instruments in the world. For improving the time resolution of in-situ investigations covering large areas of scattering vectors a chopper device similar to that of REFSANS as well as a second 2D-detector will be integrated. In co-operation with the TU-Clausthal, HZB and TU-Munich the performance of STRESS-SPEC will be improved on the one hand by extending the detector (three position-sensitive detectors instead of only one). Funded by a recently started BMBF Verbundforschung project, the existing Eulerian cradle of STRESS-SPEC, which limits sample size and translation, will be replaced by a more flexible robotic system. The robot can be used simultaneously for automatic sample 54

71 Neutrons manipulation and sample change. It will also allow faster alignment and positioning of larger samples. Due to the importance of strain and texture measurements for engineering materials science it will be very important for GKSS to operate its own strain-texture diffractometer at an external source after the shutdown of the FRG-1. With this in mind, the structured pulse engineering spectrometer SPES has been proposed as a major investment. It is designed as a ToFinstrument to tackle engineering problems at a continuous high flux neutron source. This can be achieved by a novel ToF-design comprising a coarse and a fine chopper system. The coarse chopper is used for setting both the wavelength range and a low wavelength resolution of 5% < Δλ/λ < 20% and, thus, high flux neutron pulses. The fine chopper modulates the coarse pulses to achieve high wavelength resolution (Δλ/λ ~ 10 3 ) while using about 50% of the intensity of the long pulses. Due to its novel ToF-design SPES is expected to supply the sample with long, however very fine structured pulses which will deliver almost as many neutrons on the sample as pulses from a Megawatt spallation source like SNS in the USA. The SPES design comprises further a laminated neutron guide with 5 channels providing 5 beams onto the sample in time focussing geometry. Complex sample environments will be made available for a wide variety of engineering applications. Due to this novel design the overall performance of SPES for investigations of highly symmetric engineering materials is expected to compete well in performance with new worldwide leading instruments like VULCAN at SNS. GKSS proposes to install SPES in a new Experimental Hall South at FRM II, which had been foreseen as an extension option in the FRM II design right from the beginning. Alternatively, the instrument could be located at ILL from which the project is receiving full support Expected results, milestones After the shutdown of the FRG-1 and the subsequent transfer of additional resources to the FRM II GEMS-N will be the cornerstone of the neutron activities of GKSS, complementing GEMS-P at DESY. The instrumental techniques, on which the instrumentation at the FRG-1 is focussed (SANS, strain and texture diffractometry, reflectometry) and which remain essential for the external users and GKSS in-house research, will have been transferred to the FRM II. To maximise the scientific profit of the shift to a newer and higher flux neutron source, the focus is on new optimised instruments instead of moving existing instruments to the FRM II. The decision on the urgently needed extensions of the FRM II experimental facilities (Experimental Hall South) will determine the size and timescale of the engagement of GKSS at FRM II. Users will strongly profit from the results expected from the activities proposed for the bonus award, e.g. due to the availability of new user friendly software for analysing GISANS data. The experience obtained in designing and using SPES will be a strong basis for contributing a similar instrument to the long pulse European Spallation Source (ESS). Due to its higher peak flux the instrument at ESS will surpass those at FRM II or ILL by more than one order of magnitude in performance. Major milestones are: Establishing GEMS with a common proposal and infrastructure system (2010) First operation of the new SANS-1 machine (2010) Decision on location of SPES (2010) Robotic system on STRESS-SPEC operational (2010) New detectors on STRESS-SPEC (2012) 55

72 Planned programme topics Large-scale facility BER II Centre: HZB Personnel: 75 scientists, 10 doctoral students, 82 scientific support personnel Contributing principal investigators: J. Banhart, C. Pappas, A. Tennant BER II has established itself as a major research facility for neutron science on an international scale with an exceptionally high demand from European users. HZB offers access to a great variety of neutron scattering and radiography instruments with partly unique features suited for research in many fields of science. At present, 14 instruments are in routine user operation. They are in constant high demand and cover practically all neutron scattering and radiography techniques (except backscattering), several providing neutron intensities and resolutions competitive with the best instruments world-wide. A singular HZB attraction is its worldwide pace setting in sample environments, providing access to many of the most sophisticated magnetic and soft matter experimental conditions for neutron research available anywhere. Beyond 2010 BER II will be unique as the only neutron source operated by the Helmholtz Association. BER II is essentially a new research reactor, becoming fully operational after a rebuild in In an important step, it was successfully converted to Low Enriched Uranium operation in The reactor is of 10 MW power and has 3 devices for neutron activation, plus nine beam tubes for thermal neutrons to the experimental hall, and a horizontally inserted cold source serving two cold neutron guide halls. The instrumentation covers a comprehensive range of applications in materials science, magnetism, and soft matter. The user service at BER II enjoys an international reputation for the expertise offered and capabilities for sophisticated experiments. The size of the user programme has typically been around 300 short term proposals submitted, 200 accepted, 400 visits by users per year, using 60% of the available reactor time an oversubscription of around 50% per instrument. Normally an additional 10% of the beamtime is used by long term collaborating groups, predominantly from German universities, and these: (i) enlarge the pool of scientific expertise available at BENSC and (ii) allow reliable planning of thesis works. The remaining 30% of beamtime is exploited for in-house research and development. (cf. also 3.1.6) HZB is in the special position of operating two world class facilities for neutrons and X- rays. Combining the key strengths of both for the mutual benefit, HZB will be one of an elite few research centres world-wide that can boast fully integrated use of neutrons and photons within one laboratory structure. The facility is currently being boosted by unique new instrumentation decisively strengthening magnetism as well as soft and bio matter. The second neutron guide hall (NGH-II), commissioned in 2005, will host the innovative extreme environment diffractometer (EXED) and the High Field Magnet and the very small angle scattering machine VSANS. In early 2011 the cold source will be modified further boosting the cold neutron flux by around 60% across the suite of instruments. This is coordinated with the implemented upgrade programme to install most modern neutron optics and guide systems also in the first neutron guide hall and to bring the instruments there to cutting edge standards. These initiatives bring the facility forward to meet the demanding science of the next decades Challenges BER II plays a fundamental role in German neutron science as a user facility, but also as a centre of excellence for innovative neutron science with strong international profile. To maintain its forefront position the HZB adopts a three point strategy 56

73 Neutrons 1. To push the continuous improvement of neutron instrumentation towards the highest possible level. An ambitious upgrade programme for almost all existing instruments is implemented. 2. To provide special capabilities and expertise within the global network of neutron facilities. The integrated suites of specialized instrumentation, sample environments, in-situ capabilities and laboratories at the BER II are developed through in-house research in the focal areas of magnetism, engineering, and soft matter. A highlight here is the installing of the highest steady magnetic field device in combination with neutron scattering world wide in 2011/ To fully exploit the opportunities due to operating two world class facilities, BER II and BESSY, within one lab structure. Successful in-house research and user programmes focusing on joint use of neutron and synchrotron radiation will be aided by a common user platform offering a common user entry point and harmonized proposal submission and evaluation procedures. Looking further into the future, the biggest challenge is preparing for a national neutron source replacing the BER II. While the technical lifetime of the BER II easily extends beyond 2020 upcoming spallation sources in Japan and the US, are set to show what new types of sources are capable of. For the overall benefit of the community, new ideas for sources and instrumentation will be explored, and a stronger engagement by HZB with ISIS will benefit this in terms of spallation sources and time of flight instrumentation Current activities and previous work Providing a platform for major science with neutrons is the central task at BER II. To achieve excellence the instrumentation and activities are streamlined into focuses on magnetism, nanosized and engineering materials, and soft-matter and biological materials. Magnetism: A unique and world-wide recognized strength of BENSC is the unrivalled range of sample environment equipment available to carry out experiments under extreme conditions. Highest magnetic fields (up to 17.5 T) and lowest temperatures (down to 30 mk) are routinely offered to users together with extensive expert support by in-house scientists and technical staff. Research at temperatures below 1mK is undertaken to study nuclear magnetic ordering although the extraordinary technical demands make this available for special projects only. Instrument improvements include the upgrade of the heavily used unique flat-cone diffractometer E2 17, as of another thermal workhorse instrument, the powder diffractometer E9 18 ). The laboratory cluster at HZB provides vital support for users. The physical properties measurement capabilities on offer at MagLab cover temperatures from 8 mk to 1000 K and to 17 Tesla in field strength and are an unrivalled resource. In a great effort to push the magnetic field limit for neutron scattering experiments towards new frontiers, a hybrid high field magnet (HFM) for fields beyond 25 T, is under construction at the US National High Field Laboratory in Tallahassee and scheduled to be operational at BER II in EXED, specifically designed to work in conjunction with the high field magnet, is presently under commissioning. EXED is on a novel multispectral guide in NGH-II giving it the largest possible wavevector range to tackle the measurement of magnetic order in restricted geometries. It is available to users in 2009, at first equipped with a new 7 T horizontal magnet. Due to the innovative time-of-flight design EXED will be usable for inelastic scattering and also small angle neutron scattering. The combination of HFM with EXED opens up unprecedented possibilities for neutron scattering at highest fields world-wide. Materials science: Activities have a strong focus on tomography and a new polarised-neutron tomography station based on methods pioneered at BER II is presently installed 19. Activities are supported by the application centre for tomography ANTOME. For nanoparticles and 17 U Tübingen with funds of the Verbundforschung 18 HZB, still under work 19 Technische Fachhochschule Berlin with funds of the Verbundforschung 57

74 Planned programme topics nanostructured materials full polarized SANS has been implemented and TISANE developed. These are complemented by ASAXS and GISAXS at BESSY. Residual stress activities are centred at E3 in BENSC and the STRESS-SPEC at FRM II which are closely coordinated with industry. Bio and soft matter: To address the great demand in this fast developing area strong enhancement of the instrument suite was made with the NGH-II project where a new Very Small Angle Neutron Scattering (VSANS) machine is in construction, and an upgrade of the spin echo spectrometer SPAN and reflectometer V6 resulted in significant performance gains. VSANS is the first instrument to use a novel collimator design which allows an order of magnitude increase in accessible wavevector range over standard SANS. BioRef 20, a reflectometer dedicated for biological samples will be available for users in A very successful new highlight is DEGAS, offering in-situ sample environment for experiments under controlled gas atmosphere. This Dedicated Environment for Combined Gas Adsorption and Scattering Experiments so far features humidity chambers for investigating biological samples as well as equipment for in-situ adsorption experiments on porous systems, and is supported by a dedicated laboratory (GasLab). A laboratory for bio- and soft-matter samples, BioLab, provides extensive support for sample synthesis and biophysical measurements and is used by 30% of cold neutron experimenters. Expertise in laser activated photocycles has been developed in the BioLab and also implemented with stroboscopic neutron measurements in-situ providing vital initial steps toward the application of neutrons in light activated protein dynamics. Careful characterisation of materials before doing a neutron scattering experiment and complementary data from other methods are essential to achieve excellent science. HZB is leading the way by integrating laboratory methods and sample preparation capabilities into the user operation. A sophisticated laboratory cluster located right at the facility has been built up driven by the in-house research but opened to users. Such laboratories include (i) the Laboratory for magnetic measurements at BENSC (MagLab), (ii) Laboratory for crystal growth and preparation of novel oxide materials (CrystLab), (iii) X-ray laboratory (XLab), (iv) BioLab including modern equipment for UV, IR and Laser spectroscopic investigations, (v) Laboratory for adsorption measurements (GasLab). HZB strives to fully incorporate their external use into its regular user program. In the long run this might even include demands without direct connection to a neutron scattering experiment Contents and goals Aiming for the best instrumentation to match the needs of next decade s science, the implemented upgrade programme will be pursued. Upgrade of the thermal instruments will soon be completed. State-of-the-art neutron polarimetry will be comprehensively established on the instrument suite. The cold source will be modified by using focusing-type instead of the conventional disk-like moderator cells. At the same time the complete neutron guide system in the old neutron guide hall I shall be exchanged by new super-mirror coated guides (as used in NGH-II), thus profiting from the enormous progress made in neutron optics over the last 15 years. This implies a repositioning of most instruments in the guide hall I to meet optimal neutron flux. Central to this sweeping programme is the major upgrade of two instruments in guide hall I, the triple-axis spectrometer FLEX, and the time-of-flight spectrometer NEAT. FLEX is a flagship instrument for investigating magnetic excitations under extreme fields and low temperatures. Already among the leading instruments in its class, by repositioning FLEX to a guide end position, a gain of an order of magnitude in performance will be achieved, plus increasing its energy range from 14 to 25 mev a qualitative gain in the scientific range of the instrument. The increased flux will substantially enhance its polarized neutron capabilities, and the installation of a multi-analyser type secondary spectrometer will greatly increase the data collection efficiency for quasiparticles and lineshapes. 20 U Heidelberg with funds of the Verbundforschung 58

75 Neutrons Upgrading or actually rebuilding NEAT will create an instrument with a flux and detector coverage to match the most demanding in-situ experiments and time development of nonequilibrium and driven states, i.e. a spectrometer with completely new capabilities for single crystals, where extreme conditions of field and pressure can be applied, and provision for apparatus such as laser pulsing and IR spectroscopy. The new instrument will be in a highly competitive position world-wide. The science opened up by NEAT2 covers light activated proteins, denaturation of biological systems, 4D-kspace-energy volumes in quantum and molecular magnets, and chemical reactions among others. Because of the financial volume of the NEAT upgrade and with a view on the importance for the whole guide hall a separate proposal for a large investment has been submitted, cf.1.8. As NEAT2 will be positioned further away from the source, this implies significant benefits also for other instruments by making room for moving some to their optimum location in terms of flux and background, for new mononchromator positions and for a whole new guide for future instruments. HZB will further invest into the hallmark of BENSC the sample environment by making a quantum leap in the magnetic field strength available for neutron scattering experiments and build up a strong second foothold in sample environment by developing a versatile suite of apparatus for experiments under controlled gas atmosphere. Full operation of the series hybrid magnet HFM in combination with EXED is scheduled for The DEGAS system will be further developed 21 to a user friendly system and to expand the field of application by providing a pressured gas system allowing routine neutron scattering experiments on samples under a hydrogen pressure of up to 10 kbar. Such experiments have aroused wide interest in connection with the world-wide search for efficient hydrogen storage materials. Complementing the laboratory support, a new computational group will be established to provide computational tools for adaptively relating measured data to standard condensed matter models, e. g. via Monte Carlo and density functional methods, as well as provide the computation of experimentally relevant cross sections. This group will aid the interpretation of the raw data and the identification of non trivial phenomena supporting both in-house research and the facility users. The activity will strongly profit from success of the bonus award (section 1.7) and add a new dimension to the programme. A common user platform for neutron and synchrotron radiation experiments, especially to promote the joint use of BER II and BESSY II, will be established providing access to both probes by a unified proposal system. In topical areas of condensed matter research there is a clear trend towards investigating more and more complex systems. These modern fields are characterized by a high degree of interdisciplinarity and by the joint application of many different experimental methods for solving a scientific problem. BER II and BESSY already enjoy complementary instrumentation in magnetism and engineering materials, see Section 3, and actively promote this process through in-house research. The formation of new departments at HZB should promote this further, especially for bio- and soft-matter. Preparing for a replacement of the reactor, a dedicated group will work on determining possible technologies for a future national neutron source and on clarifying how they can meet future needs of the scientific community given the foreseeable landscape of neutron facilities two decades ahead. The goals signal the ambition of HZB to play as strong as possible a role in the future of neutron science nationally and internationally, and to build on its competences concerning user operation, neutron-instrumentation, -methods and -techniques, sample environment and ground breaking science. 21 Joint Research Activity within FP7-NMI3 59

76 Planned programme topics Expected results, milestones The proposed programme is ambitious, however, well prepared and not connected with unmanageable risks provided that the funding is secured. The following milestones can be defined: Replacement of cold source resulting in average gain of 1.6 in flux (Spring 2011) Complete exchange of the whole guide system (by end of 2011). Upgraded FLEX at guide end position resulting in an order of magnitude gain in performance (mid 2011). User operation of NEAT2 with factor 40 gain in performance (2013). Commissioning of the series hybrid magnet for highest fields (2012). Full harmonization of the proposal submission and evaluation procedures for both probes and support laboratories (2010/2011). Producing an evaluation resulting in a concept for a future national neutron source at HZB (2014) JCNS Centre: FZJ Personnel: 32 scientists, 0 doctoral students, 35 scientific support personnel Contributing principal investigators: Th. Brückel, A. Ioffe, M. Monkenbusch, D. Richter, W. Schweika The Jülich Centre for Neutron Science JCNS ( is a qualitatively new structure within the Helmholtz association. It was founded as response to the permanent shutdown of FZJ s own research reactor FRJ-2 in May JCNS operates instruments at the national and international leading sources FRM II, ILL and SNS under a common scientific objective and with a common user program. In this way, JCNS provides the external users with access to state-of-the-art instruments under standardized conditions at the neutron source best suited for their respective experiments. The breadth of JCNS is comparable to a facility based around a medium flux research reactor, though it offers the quality of high flux sources. JCNS also provides a frame for the well recognized method and instrument development programme of FZJ and for its in-house research in the condensed matter and key technology programmes. The unique role of FZJ within the German neutron scattering landscape is based on a compelling in-house research programme focussing on neutron scattering and complementary synchrotron radiation techniques in the areas soft condensed and biological matter and nanomagnetism and highly correlated electron systems. In these areas of expertise, JCNS is pursuing a forceful science driven method and instrument development programme and provides to its users expert advice, specialised sample environment, data analysis and modelling software, as well as dedicated laboratory facilities for sample preparation and characterisation. Finally, JCNS is the German forerunner in the exploration of the new frontier of neutron science at Megawatt pulsed spallation sources. 60

77 Neutrons Challenges Based on the special role of JCNS within the German neutron landscape, JCNS addresses major challenges in research with neutrons within Germany and Europe: 1. Given the potential of this new source, the university based reactor FRM II has to be developed into a true national neutron user facility and eventually into one of the leading neutron centres worldwide. Having mastered the transition of instruments and user programme from the Helmholtz user facility FRJ-2 to FRM II and based on its present major commitment there, JCNS will lead the involvement of the Helmholtz centres in the scientific exploitation of the FRM II with the goal to offer the users the established high quality service of the Helmholtz facilities. 2. Facing the competition from the next generation MW spallation sources SNS and JSNS, Europe needs to develop and construct an own source of this type in order to expand its leadership in the field. JCNS offers to contribute to the development of the target and moderator unit as well as to the instrumentation of a future European spallation source ESS. While awaiting the political decision for an ESS, JCNS will realize novel and creative instrumentation concepts at new pulsed MW spallation sources in order to provide a certain access to these unique possibilities for German users. 3. To increase the impact of neutron scattering in modern fields such as research on nanostructures or on the functioning of biomolecules, neutron instrumentation has to be pushed to its limits. JCNS intends to continue its forceful instrument development programme with a focus on polarized neutrons in order to make novel experiments feasible. 4. Neutron scattering as inherently large-scale facility technique requires dissemination to attract new user groups from less represented fields to research with neutrons. JCNS will advance its well established summer schools and attract collaborators from fringe fields by involving them into the instrument development and instrument operation. 5. The opportunities of modern information technology have to be made accessible to users. JCNS will provide on-line data evaluation and modelling packages, e.g. for grazing incidence scattering or single crystal time-of-flight spectroscopy (see Bonus Award ) Current activities and previous work The largest involvement of JCNS in any neutron facility resides at the research reactor FRM II of the Technical University of Munich TUM (see where FZJ is currently operating five user instruments (spin-echo spectrometer NSE, small angle scattering KWS-2, very small angle scattering KWS-3, backscattering SPHERES, cold time-of-flight spectrometer with polarization analysis DNS) plus one instrument for neutron optics- and method development (TREFF). The construction and commissioning of two further instruments, a small angle camera KWS-1 and a reflectometer MARIA will be finished within the current POF period. A thermal time-of-flight TOF spectrometer with polarization analysis TOPAS is under construction, but awaits the commissioning of the guide hall east. Together with partners, the funding for two further instruments (POWTEX and BIODIF, see below) has been secured. The relocation of instruments from the FRJ-2 to the FRM II reactor was accompanied with a rigorous instrument refurbishment program. Examples include: new guide system, polarizer and correction coils for the neutron spin echo spectrometer NSE; new collimation base with larger cross section, polarization option, high resolution option comprising chopper and high resolution detector, GISANS option and focussing lenses for the small angle cameras KWS1 / KWS2; rebuild of most of the instrument for diffuse neutron scattering DNS with new double focussing monochromator, new chopper system, additional polarization analyzer bank and large area position sensitive detectors. These improvements, together with the superior flux of FRM II and the newly optimized guide system have lead to an increase in neutron count rate of at least one order of magnitude for every single instrument. The JCNS on-site team of instrument scientists, engineers and technicians, as well as its user office, additional user office space and dedicated 61

78 Planned programme topics laboratory facilities (e. g. chemistry, biology, nanostructures) are located on the first floor of the future guide hall east adjacent to the reactor. Two thirds of the beamtime on the JCNS instruments at FRM II are distributed to external users. User operation at this JCNS outstation is supported by the Access to Large Facility Program of the EU, independently from the access programme for the TUM instruments. JCNS is clearly leading the contribution of the Helmholtz Association to the instrument operation at this university based neutron source and is thus instrumental in making it available to the broader national and international user community. At ILL in Grenoble, JCNS is operating the Collaborative Research Group CRG instrument IN12 (cold triple axis TAS spectrometer) and provides, through a collaboration with the Commissariat á l Energie Atomique CEA of Grenoble, additional limited access to two further top class neutron scattering instruments (thermal TAS IN22, diffractometer D23) for German users. At the first pulsed MW spallation neutron source SNS, Jülich is constructing a spin echo spectrometer which will feature unprecedented resolution and dynamical range. Through this investment in instrumentation, JCNS paves the way for German users to this next generation neutron source with its unique capabilities. Some beamtime on two further SNS instruments (backscattering spectrometer BASIS and powder diffractometer POWGEN3) will be available for the national community through JCNS. Instrument operation at all JCNS outstations is organized within the same modalities. An on-site team ensures competent and reliable instrument operation and user support. Strong links are maintained to the scientific home base at the Institut für Festkörperforschung IFF via frequent travel, video conference systems and through further instrument responsibles at IFF. This exchange with the home institute backs the scientific profile of the JCNS instrument responsibles. While routine maintenance is performed by the local team, larger refurbishments, instrument development and construction are done in Jülich by the central engineering departments (mechanical design and construction: ZAT; instrument control electronics and software: ZEL) under project management by IFF scientists. Beamtime allocation for all JCNS instruments, independent of their location, is organized through a web-based proposal system after peer-review by an external international expert committee. Jülich has an important role in building the national and European user base by educating young researchers in the field of neutron scattering. This purpose is served by an annual neutron laboratory course, the spring schools of the solid state department IFF, focussing regularly on modern applications of scattering methods, and university teaching. Besides serving the user community, the JCNS instrument suite provides essential capabilities for FZJ research within the Helmholtz programmes BioSoft: Macromolecular Systems and Biological Information Processing (8 contributing FZJ institutes, EU network of excellence SOFTCOM) as well as FIT: Fundamentals of Future Information Technologies (9 contributing FZJ institutes plus institutes from RWTH Aachen in the framework of the Jülich-Aachen Research Alliance JARA-FIT) within the research area Key Technologies. The planed research is described in detail within the proper Helmholtz programmes. Aspects relevant for PNI leading to science driven instrumentation are described in Topic 4, in-house research Contents and goals JCNS commitment to the scientific usage of FRM II. In order to establish a true national user facility at this powerful source, the German Federal Ministry of Education and Research BMBF will provide dedicated resources for the scientific exploitation of FRM II on an equal footing between the centres in the Helmholtz Association and TUM. Ultimately, half of the instruments will be operated by Helmholtz institutes. To achieve maximal synergies, we propose to create common service and project departments under a strong central management with a common investment budget. Based on the already existing commitment of JCNS at FRM II, FZJ will lead the involvement of the Helmholtz Association and assume a central role in the scientific exploitation of this modern neutron source. Developing the instrument suite and attracting new user groups is a major objective of JCNS. Three new JCNS instruments will be commissioned 62

79 Neutrons during the forthcoming POF period and by its end JCNS will have 10 user instruments assembled at FRM II, see below. The FZJ as a gateway to megawatt pulsed spallation sources. The new frontier in neutron science will be at the new third generation spallation neutron sources which will surpass the capabilities of even the best research reactors on average by an order of magnitude and more for many instrument types. In Germany, Jülich has been the forerunner in the development of these sources. With its experience in the target and moderator development, as well as in the instrumentation of these novel sources, Jülich presents itself as the natural German partner of a future European MW spallation source, in case a positive decision for its realization will be taken within the upcoming POF period. In awaiting this decision, JCNS is participating in ESS- PP, the FP7 European Preparatory Phase Project of ESS. As a major investment, we propose the construction of one further instrument for the JCNS outstation at the SNS, see below. Instrument and method development at JCNS. The upcoming POF funding period will see a continuation of our stringent instrument renewal programme with the construction and commissioning of new instruments at FRM II, the upgrade of IN12 at ILL and the proposed additional instrument at SNS (major investment). As nearly all JCNS instruments exploit the spin of the neutron either for polarization analysis or Larmor labelling, the JCNS expertise in polarized neutrons will remain a focus of our method development. In addition, JCNS has put into practice a strategy to attract users from the less represented Chemistry, Geosciences, and Biology communities to neutron scattering by initiating instrument projects involving the future user groups. At FRM II the magnetism reflectometer MARIA will go into regular user operation. The instrument is dedicated to off-specular scattering in reflectometry or GISANS geometry and features full polarization analysis over a 2 dimensional detector. It will outperform the former HADAS reflectometer by more than two orders of magnitude in dynamic range and carry experiments on magnetic thin film systems to new frontiers. For dissemination of the grazing incidence neutron scattering method, a user friendly modelling software will be developed for simulation and analysis within the Distorted Wave Born Approximation DWBA (bonus award). In the guide hall east, the thermal TOF spectrometer TOPAS will be constructed. The unique feature of this instrument will be vectorial polarization analysis for single crystal studies up to incident energies of 120 mev. It will revolutionize the study of highly correlated electron system by providing five dimensional data sets of S(Q,ω) together with full polarization analysis. Again, a user friendly modelling and analysis package will be developed to make the method accessible to a broader user community (bonus award). Two further instrument projects have been initiated by JCNS at FRM II. The time-of-flight powder and texture diffractometer POWTEX will be constructed by FZJ in collaboration with the Institute for Inorganic Chemistry of RWTH Aachen University and the Geosciences Centre of Göttingen University. Funded by the BMBF project funding ( Verbundforschung ) and located in the guide hall east, the instrument is optimized for high intensity and small sample volumes and will outperform all existing European powder instruments in this regard. The diffractometer for biological macromolecules BIODIF will be constructed in collaboration between JCNS and TUM in the cold neutron guide hall of FRM II. This instrument will provide complementary information to protein crystallography beamlines at synchrotron radiation sources by enabling the location of hydrogen and water molecules, which are essential for the functionality of biological macromolecules. At ILL, the cold triple axis spectrometer IN12 will be relocated to the end position of a new focussing neutron guide. Neutron optics and polarization optics will be entirely renewed. Together with the novel multianalyzer UFO, IN12 will remain one of the leading cold triple axis instruments. At SNS, the spin echo spectrometer, which was an additional funding project within the first POF period, will go into regular user operation. For the first time, superconducting coils are being employed on this type of instrument, resulting in a large field integral of 1.8 Tm. The instrument will feature a large dynamical range with Fourier times from 1ps up to 1 μs. Thus it aims for the world best energy resolution and will enable in particular the study of the slow dynamics of large biological macromolecules. 63

80 Planned programme topics Major investment: Taking advantage of the high peak flux of a MW spallation source, the proposed Diffractometer for Nonequilibrium States of Condensed Matter DNSM at SNS will enable for the first time to investigate non-equilibrium states of condensed matter with neutrons on timescales of ms down to sub-μs and on length scales from sub-ångstrøm to 100 nm. At SNS a full diffractogram can be obtained within a single neutron pulse. The large range of real space length scales will be achieved by recording wide angle and small angle scattering simultaneously, employing Larmor precession encoding techniques for the latter. Such an instrument requires the high peak flux and can therefore only be realized at a MW spallation source. It opens a broad user community from chemistry, condensed matter physics, materials science, engineering science and geosciences entirely new scientific perspectives, e.g. for the study of structural kinetics in chemical reactions with intermediates, relaxation of a system after external stimuli like field or laser pulses etc Expected results, milestones In the instrument development programme of JCNS, the following instruments will be either entirely refurbished, commissioned or build during the coming POF period: The Magnetism Reflectometer MARIA at FRM II, which is being constructed in the current POF period, will start full user operation in 2010 (Milestone). It will enable entirely new experiments for magnetism at the nanoscale. The Thermal Time-of-Flight Spectrometer TOPAS will be commissioned and full polarization analysis in user mode will be available in 2013 (Milestone), making it a unique instrument for the study of correlated electron systems. The Time-of-Flight Powder and Texture Diffractometer POWTEX will start operation in 2013 (Milestone). It will attract new users from fringe fields to research with neutrons. The Diffractometer for Biological Macromolecules BIODIF will start commissioning in 2012 (Milestone). The Cold Triple Axis Spectrometer IN12 at ILL will be relocated and refurbished. Downtime for users will be minimized and full user operation will resume in 2012 (Milestone). The Spin Echo Spectrometer NSE-SNS at the SNS will start full user operation in 2010 (Milestone). It aims at the highest resolution and largest dynamical range worldwide. 64

81 Ions 2.3 Ions Spokesperson of the topic: Thomas Stöhlker Contributing Centre: GSI Personnel: 22 scientists, 8 doctoral students, 16 scientific support personnel Contributing principal investigators: R. Neumann, Th. Stöhlker Topic costs 2010: 7.6 M (100% GSI) Introduction to the topic Layout of the present GSI facilities (left) and of the future FAIR complex (right). The existing GSI accelerator and experimental infrastructures used for PNI (marked in blue) include the linear accelerator UNILAC, the heavy-ion synchrotron SIS18, the experimental storage-cooler ring (ESR) as well as the major experimental facilities. All APPA-related experiment facilities at FAIR are marked in yellow. Atomic physics, plasma physics and materials research at heavy ion facilities address many open questions in basic research and applied sciences. As a consequence, there is a variety of heavy ion facilities in operation world-wide. At GSI, a broad user community makes use of the intense and brilliant beams delivered by the accelerator facilities covering all ion species in virtually all charge states at energies ranging from 1 MeV/u up to more than 1 GeV/u (a layout of the existing GSI facilities is given in Fig. 2). With respect to intensities, the storage ring 65