IAEA A+M Unit Activities

Transcription

1 A+M Unit Activities B. J. Braams, H.-K. Chung, K. Sheikh Atomic and Molecular Data Unit Nuclear Data Section Division of Physical and Chemical Sciences September 2011 International Atomic Energy Agency

2 Overview of A+M Data Unit Activities Atomic & Molecular Data Unit Data Generation Data Exchange IFRC Sub-Committee Data Exchange Data Transfer Coordinated Research Projects (CRP) Meeting Organization Data Center Network Code Center Network Publications Knowledge Base Development

3 Coordinated Research Projects Data Generation and Exchange CRP: Coordinated Research Project Main mechanism by which the AMD Unit encourages new research Unique Opportunity for Comprehensive and Synergistic Collaboration Joint research on Atomic, Molecular & Plasma Surface Interaction Data for fusion: Representatives from 10 to 15 institutes world-wide Duration 3-4 years; 3 Research Coordination Meetings Objectives: To define and to coordinate international research on: Generation, compilation and evaluation of data Establishment of databases Development of new techniques Outputs: Publications, Meeting Presentations and Reports Final Reports in Atomic and Plasma-Material Interaction Data for Fusion (APID) Data and Results in ALADDIN Numerical Database and Knowledge Base

4 Past, Present and Future CRPs : Tritium Inventory in Fusion Reactors : Atomic and Molecular Data for Plasma Modelling : Atomic Data for Heavy Element Impurities in Fusion Reactors : Data for Surface Composition Dynamics Relevant to Erosion Processes : Characterization of Size, Composition and Origins of Dust in Fusion Devices : Light Element Atom, Molecule and Radical Behaviour in the Divertor and Edge Plasma Regions : Spectroscopic and Collisional Data for W from 1 ev to 20 kev : Data for kinetic modelling of molecules of H and He and their isotopes in fusion plasma : Erosion and Tritium Retention for Beryllium Plasma-Facing Materials (tentative) Plasma-Wall Interaction of Tungsten and its Alloys in Fusion Devices (More tentative) Data for kinetic modelling of hydrocarbon ions in fusion plasma

5 CRP on Data for Surface Composition Dynamics Relevant to Erosion Processes ( ) Objectives To better understand of the erosion processes and to find new methods to control the erosion To collect and generate new data relevant to erosion dynamics in fusion reactors Investigated materials will be the most common in fusion reactor machines and mainly the ones foreseen for ITER: C, W, Be Results Some data included in ALADDIN A paper in preparation Research Coordination Meetings First RCM, October 2007 Second RCM, March 2009 Final RCM, September 2010 Participants Karl Krieger Jungling Chen Alain Allouche James Davies Yuri Martynenko Daiji Kato Predrag Krstic Kai Nordlund Russel Doerner MPI für Plasmaphysik Chinese Academy of Sciences University of Provence University of Toronto Kurchatov Institute National Institute of Fusion Science Oak Ridge National Laboratory University of Helsinki University of California, San Diego R. Zalavutdinov Russian Academy of Science

6 CRP on Size, Composition and Origin of Dust in Tokomaks ( ) Objectives To determine the size, composition and origin of dust in tokomaks Understand dust transport and tritium retention Improve dust estimates Investigate dust removal techniques Focus on dust from C, W and Be Participants Results Plans for a database for collected dusts Efforts centered at IPP Garching based on automated analysis of individual dust images Research Coordination Meetings First RCM, December 2008 Second RCM, June 2010 Final RCM, 30 Nov 02 Dec 2011 Phil Sharpe Charles Skinner Christian Grisolia Anna Widdowson Volker Rohde Idaho National Laboratory PPPL, Princeton CEA, Cadarache UKAEA, Abingdon IPP Garching Leonid Khimchenko Kurchatov Institute Jörg Winter Carmine Castaldo Naoko Ashikawa Suk-Ho Hong Observer Sergio Ciattaglia Ruhr Universität ENEA, Roma, Italy NIFS, Toki, Japan NFRI, Korea ITER, Cadarache, France

7 CRP on Light Element Atom, Molecule and Radical Behaviour in the Divertor & Edge Plasma Regions ( ) Objectives To generate new data for radiative and collisional processes in ions of atoms and molecules of hydrogen, helium, lithium, beryllium, boron, carbon, nitrogen and oxygen at temperatures and densities typical of the edge and divertor region of fusion reactors Data needs In diagnostics for plasma parameters such as temperature and density Special focus on processes including rovibrational states of molecules Fine structure energy levels of molecules Results Some new data in ALADDIN Research Coordination Meetings First RCM, November 2009 Second RCM, May 2011 Participants Pierre DEFRANCE UCL, Louvain-la-Neuve Igor BRAY/ Curtin University of Technology Dmitry RURSA Ratko JANEV Macedonian Academy of Sciences and Arts Luis MENDEZ/ UAM, Madrid, Spain Ismanuel RABADAN James MITCHELL Université de Rennes I Michael PINDZOLA/ Auburn University Teck LEE David SCHULTZ ORNL, USA Hidekazu TAKAGI Kitasato University Jianguo WANG IAPCM, Beijing, China Baoren WEI Fudan University Ioan SCHNEIDER Université de Le Havre Viorica STANCALIE INFLPR, Romania

8 CRP on Spectroscopic and Collisional Properties of Tungsten from 1 ev to 20 kev ( ) Objectives Concerned with W in all plasma regions, edge to core Theory and experiment are both represented, with overlap among and between the two Aim to produce validated database for tungsten in plasma Data needs Electron-impact, radiative and photon-induced, and heavy particle collision processes Cross-sections for kinetic modelling Rate coefficients for macroscopic modelling Spectroscopic signatures for diagnostics Research Coordination Meetings First RCM: December 2010 Participants R. Srivastava IIT Roorkee A. Müller University of Giessen N. Nakamura University of Electrocommunications A. Ryabtsev Russian Academy of Sciences W. Tchang-Brillet/ Observatoire de Paris A.. Wyart P. Beiersdorfer LLNL C.-Z. Dong Northwest Normal University F. Koike Kitasato University M. Trzhaskovskaya/ St Petersburg Nuclear Physics Institute V. Nikulin V. Lisitsa, Kurchatov Institute N. Badnell, University of Strathclyde J. Colgan, Los Alamos National Laboratory Yu. Ralchenko, NIST

9 CRP on A+M Data for State-Resolved Modelling of H, He and their Isotopes in Fusion Plasma ( ) Objectives Species H, H +, H 2, H 2+, H 3+, He, He +, He 2+, HeH +, He 2+, H - and isotopic variants; isotope effects are important; He is newly important Aim to be comprehensive for volume processes among the mentioned species and e-, hv Predominantly theoretical; some experiment Data needs State-resolved cross-sections for kinetic modelling Electron-impact, radiative and photon-induced, and heavy particle collision processes Research Coordination Meetings First RCM: August 2011 Participants R. CELIBERTO Polytechnic of Bari, Italy U. FANTZ MPI for Plasma Physics, Garching C. JUNGEN Laboratoire Aimé Cotton du CNRS I. SCHNEIDER Université Le Havre V. KOKOOULINE University of Central Florida P. KRSTIC Oak Ridge National Laboratory X. MA Chinese Academy of Sciences O. MOTAPON University of Douala, Cameroon A. OREL University of California at Davis D. REITER Forschunszentrum Jülich K. SAWADA Shinshu University X. URBAIN Catholic University of Louvain J.-S. YOON National Fusion Research Institute

10 Planned CRP on Erosion and Tritium Retention in Beryllium Plasma Facing Components ( ) Strongly recommended by the IFRC subcommittee on A+M data as our first CRP for the programme Timely for input from JET ITER-Like Wall (ILW) and for planning for ITER Interested in routine interaction of H/He and impurity ions with Be surface, and in transient events (melting, ablation) Interested in mixed materials, especially, Be-C and Be-O. Mix of experiment and modelling Schedule: Internal proposal in Aug 2011, participants identified in Q4 2011, RCMs in Q1 2012, Q4 2013, Q

11 Meetings in CM on "XML Schema for Atomic and Molecular Data March 2010, NIFS, Japan TM of the 17th IFRC Sub-committee on Atomic and Molecular Data for Fusion Research April 2010, Headquarters, Vienna, Austria 2nd RCM on "Characterization of size, composition and origins of dust in fusion devices June 2010, Headquarters, Vienna, Austria 3rd RCM on "Data for Surface Composition Dynamics Relevant to Erosion Processes September 2010, Headquarters, Vienna, Austria TM on "International Code Centres Network" September 2010, Headquarters, Vienna, Austria CM on "XML Schema for Atomic and Molecular Data November 2010, Headquarters, Vienna, Austria 1st Joint ITER- TM on "Analysis of ITER Materials and Technologies" November 2010, Principality of Monaco 1st RCM on "Spectroscopic and Collisional Data for Tungsten from 1 ev to 20 kev" December 2010, Headquarters, Vienna, Austria

12 Meetings in nd RCM on "Light Element (H, He, Li, Be) Atom, Molecule and Radical Behaviour in the Divertor and Edge Plasma Regions" May 2011, Headquarters, Vienna, Austria CM on "data needs for erosion and tritium retention in beryllium plasma-facing surfaces" May 2011, Headquarters, Vienna, Austria 1st RCM on "Atomic and Molecular Data for State-Resolved Modeling of Hydrogen and Helium and Their Isotopes in Fusion Plasma" Aug 2011, Headquarters, Vienna, Austria TM on "Technical Aspects of Atomic and Molecular Data Processing and Exchange (21st Meeting of the Atomic and Molecular Data Centres Network" 7-9 Sep 2011, Headquarters, Vienna, Austria CM on "XML Schema for Atomic and Molecular Data" 3-5 Oct 2011, NIST, Gaithersburg, MD, USA The 7th NLTE Code Comparision Workshop 5-9 Dec 2011, K+K Maria Theresia Hotel, Vienna, Austria CM on "Improving the Database for Physical and Chemical Sputtering Dec 2011, Headquarters, Vienna, Austria TM on "Ab initio-based methods for plasma-material interaction in fusion devices" Dec 2011, Headquarters, Vienna, Austria 3rd RCM on "Characterization of size, composition and origins of dust in fusion devices" 30 Nov - 2 Dec 2011, Headquarters, Vienna, Austria

13 Publications Major Changes in publication access (Google scholar & Cross-Ref queries) -INDC(NDS) Reports ( Reports are published for every meeting and Consultant s visit International Bulletin on Atomic and Molecular Data for Fusion Bibliographic Information on Atomic, Molecular and Plasma-Surface Interaction Data Published once a year Volume 68, December 2009 Atomic and Plasma-Material Interaction data for Fusion (APID Series) Data and papers related to results produced by CRPs and Consultants groups All volumes are now available on-line ( Edition in preparation Volume 15: CRP on Tritium Inventory in Fusion Machines Volume 16: CRP on Atomic and Molecular Data for Plasma Modelling Volume 17: CRP on Atomic Data For Heavy Element Impurities in Fusion Reactors

14 Overview of A+M Data Unit Activities OFF-LINE Atomic & Molecular Data Unit ON-LINE Data Generation Data Exchange IFRC Sub-Committee Data Exchange Data Transfer Coordinated Research Projects (CRP) Meeting Organization Data Center Network Code Center Network Publications Knowledge Base Development

15 Atomic Molecular Data Information Services

16 Data Centre Network (DCN) Activities Domain : atomic and molecular (A+M), particle surface interaction (PSI) and bulk material properties (plasma-material interaction - PMI) data for fusion and other applications. Established Program: Collection, Dissemination, Critical assessment (evaluation) and generation of A+M, PSI (PMI) data ALADDIN: Numerical Database AMBDAS:Bibliographic database OPEN-ADAS GENIE XSAMS: XML Schema for A+M/PSI Data

17 ALADDIN: Numerical Database Data Dissemination Atomic and Molecular Collisional Database Heavy Particle Collisions / Electron Collisions / Photon Collisions Search by Reactants, Products, Process, Data Types, Authors, Publication Specification by Predrag Krstic and Yuri Ralchenko, August 2005 Plasma Surface Interaction Database Reflection / Sputtering / Radiation Enhanced Sublimation / Penetration Search by Projectile, Surface, Chemical Component, Data Type, Author, Publication Specification by Predrag Krstic, Fred Meyer, Denis Humbert, June 2007 Data developed through CRPs, TMs and CMs recommended by IFRC A+M List of Publications ( ALADDIN system developed by R. Hulse adopted by the A+M Unit in 1988 is now replaced by PostgreSQL database but the name is kept.

18 Data Collections Data Dissemination

19 AMBDAS:Bibliographic database Data Dissemination Data Source Spectroscopic data from NIST (A. Kramida & J. Fuhr) Collisional data from ORNL Atomic, Molecular and Plasma-Surface Interaction Data entries relevant to fusion Published in the International Bulletin #68 (2009) Version 3.1 (April 2010) Search by Reactants, Process, Authors, Keywords, Year Results with Author, Title, Reference and DOI (Digital Object Identifier) Link CrossRef Query ( at $500 / year fee Out of reference data, data are linked to the full text of the electronic journal and 5115 data are linked to the abstract by the DOI link. All data in the International Bulletin on Atomic and Molecular Data for Fusion available through AMBDAS Discussion on the the future of AMBDAS tomorrow morning

20 GENIE: Web search engine for atomic data Data Exchange & Dissemination Radiative properties search on 9 databases Collisional databases search on 6 databases A mirror site at is closed

21 XSAMS: XML Schema for A+M/PSI Data Data Exchange Sep 2009: Mar 2010: Nov 2010: First release version 0.1 of the schema XSAMS Meeting in NIFS, Japan XSAMS Meeting at Jan 2011: Substantial new development by VAMDC Line shape and shift, influences of an environment Case-by-case approach in molecular spectroscopy Code repository software Steering Committee: M.-L. Dubernet, E. Roueff, Yu. Ralchenko, D. R. Schultz, J. Tennyson, N. Piskunov, P. Loboda, D. Humbert Version (bug fixes) Source forge project Oct 2011: XSAMS Meeting at NIST planned (Version 1.0) More details on XSAMS & VAMDC tomorrow morning

22 Code Centre Network (CCN) Activities New effort (since 2008) to provide access to A+M codes relevant for fusion plasma modelling An web page provides summaries of the code capabilities and links to Centre web pages : on-line code capabilities or contact information Flexible group of participants; we intend to use CCN as an umbrella for other code activities The 2 nd CCN Meeting in October 2010: 15 participants (code producers and data users) Valuable exchange of information on data production and applications Concerns over the uncertainties of on line code calculations expert help needed Priority list of data needs (quality and availability of data) decision tree Larger network with diverse background desirable (codes, models, experiments) CCN activities should be formulated to benefit code developers directly (eg. NLTE7)

23 CCN Participants 1. CCC & RCCC, Curtin University, Australia, I. Bray 2. CR Model, Kitasato University, Japan, F. Koike 3. MELDF*-TCAM, QUAN, EIKON, CTMC, Universidad Autonoma de Madrid, Spain, I. Rabadan 4. CDW and VPN, University P. & M. Curie, France, Alain Dubois; Centro Atomico Bariloche CNEA, Argentina, P.D. Fainstein 5. Molecular cross Sections, SI calculations, University of Bari, Italy, M. Capitelli 6. CR Models, Kurchatov Institute, Russian Federation, A. Kukushkin 7. ATOM, ATOM-AKM, GKU, Lebedev Institute, Russian Federation, L. Vainshtein 8. HYDKIN, Forschungszentrum Juelich, Germany, D. Reiter 9. MCHF, GRASP2K, FLYCHK, NOMAD, National Institute for Standards and Technology, USA, Yuri Ralchenko 10. DEGAS databases, Princeton Plasma Physics Laboratory, USA, D. Stotler 11. LANL Codes, Los Alamos National Laboratory, USA, J. Abdallah, Jr. 12. HULLAC code, ETHZ, Switzerland, M. Klapisch 13. SDTRIM-SP, IPP Greifswald, Germany, R. Schneider 14. AMD Services, International Atomic Energy Agency, H.-K. Chung

24 Online Calculation Capabilities Average Approximation J. Peek provided code for electron impact excitation cross sections of ions For any ion and configuration in real time Heavy particle collisions A. Dubois, JP Hansen and P. Vainstein provided code for calculation of cross sections for excitation, ionization and charge exchange for bare nucleus on hydrogenic target Registration required Effective Ionization/Recombination Rates Results from collisional radiative calculations of plasmas are available, as carried out with the Los Alamos modeling codes Level population distributions and Radiative Power rates are obtained.

25 Atomic data from LANL An interface to run Los Alamos atomic physics codes to calculate atomic structure and electron impact excitation and ionization cross sections Complete data sets of for Argon, Chlorine and Silicon atoms (~ 2GB) CRP for "Atomic Data For Heavy Element Impurities in Fusion Reactors" Level energies and statistical weights of the ground and excited levels Oscillator strengths and electron-impact excitation cross-sections, photoionization and electron-impact ionization cross-sections Also available at the DATA SETS tables

26 Atomic data from FLYCHK

27 Knowledge Base Development Background: Limitations of Databases in Data Collection & Dissemination Modeling requires an Extensive Set of Data (LANL data ~ 2GB) Limited Description on Data sources, Quality and Updated Information Lost In Translation of Comprehensive Knowledge to Numerical Representation (Particularly CRP Results) Web 2.0 Technology allows users to interact with each other as contributors to the website's content in contrast to websites where users are limited to the passive viewing of information that is provided to them. Organization Use of Wiki pages --- A+M Data Unit in a coordinator role Central location Direct Data Storage or Link to data sources More information on Data and Applications in a Context Voluntary Content Contribution and Peer Review Closer Community Network Foster collaboration on a focused topic Increase Visibility of the role of A+M/PSI in Fusion!!

28 Knowledge Base Overview

29 Knowledge Base Status Plasma-Matter Interaction Data Needs APID Volumes INDC Reports and Consultant s Reports CRP Activities Participants Presentation APID Volume and INDC Reports Contributed Papers from CRP Participant Current Status Contents from APID Volumes and INDC Reports Summary of Participants Presentations and Abstracts Summary of DCN and CCN Activities in the world Searchable on Terminology and by Google

30 Google Analytics (1 Jul 30 Aug 2011)

31 Webalizer statistics

32 Database issues ALADDIN: Provide only recommended data, or leave that evaluation outside ALADDIN? AMBDAS: Future maintenance of bibliography on collisional processes GENIE: Good tool for a survey search, unified query language XSAMS: Driven by VAMDC, Fusion waits Knowledge Base (Wiki): Most accessed by far, flexible mechanism; content to grow

33 Conclusions AMD Unit Activities Coordinated Research Projects (CRP) Data Centre Network (DCN) Activities Code Centre Network (CCN) Activities Knowledge Base for A+M/PSI data for fusion AMD Unit: Unit Head: Bastiaan Johan Braams Atomic Physicist: Hyun-Kyung Chung Database Clerk: Khalid Sheik