Anharmonicity and Quantum Effect in Thermal Expansion of an Invar Alloy
|
|
- Isabel Wells
- 5 years ago
- Views:
Transcription
1 Anharmonicity and Quantum Effect in Thermal Expansion of an Invar Alloy 1 Institute for Molecular Science (IMS), Okazaki The Graduate University for Advanced Studies (Sokendai) Toshihiko YOKOYAMA 1,, Keitaro EGUCHI
2 Introduction: Thermal expansion of Invar alloy 1897 C. E. Guillaume 190 Nobel Prize Physics C. E. Guillaume, CR Acad. Sci. 15, 35 (1897). Weiss high-spin & low-spin model R. J. Weiss, Proc. R. Soc. London. A 8, 81 (1963). fcc FeNi alloy 36Invar Fe 64.6 Ni Invar Fe 58 Ni 4 Kovar Fe 54 Ni 9 Co 17 45Permalloy Fe 55 Ni 45 Inconel Fe 8 Ni 7 78Permalloy Fe Ni 78 Fe HS more stable, longer distance LS more unstable, shorter distance Higher T, larger LS concentration Compensate for normal thermal expansion Almost no thermal expansion from 0 to 400 K
3 Purpose of this work 1. Thermal expansion originates from thermal vibration Quantum effect at LT?. Transformation of HS LS only in Fe atoms Local thermal expansion especially around Ni? Path-Integral Effective Classical Potential (PIECP) method EXAFS & PIECP 3. Anharmonicity without thermal expansion Normal thermal expansion originates from anharmonic interatomic potentials
4 Measurement & analysis of EXAFS PF-PAC No. 010G551 Beam time used : 48 hours EXAFS function k 3 χ(k) and their Fourier transforms KEK-PF BL9C Si(111) Fe 64.6 Ni 35.4 foil (8µm) commercial transmission mode I 0 N 100% I Ar 50% + N 50% Calibration of T 1 st NN 1 st NN *calibrated Si diode *Cu foil EXAFS 3 rd NN 3 rd NN NS 4 χ k = e kr + φ k C 3k kr 3 0 Ck 3 ( ) sin [ ( ) ] C =< ( r R) > 3 C3 =< ( r R) > Mean square (cubic) relative displacements Abs. distance FEFF Relative distance Empirical
5 PIECP MC simulations Path Integral Effective Classical Potential (PIECP) A. Cuccoli, R. Giachetti, V. Tognetti, R. Vaia, and P. Verrucchi, J. Phys.: Condens. Matter 7, 7891 (1995). T. Fujikawa, T. Miyanaga, and T. Suzuki, J. Phys. Soc. Jpn. 66, 897 (1997). T. Yokoyama, Phys. Rev. B 57, 343 (1998). Convenient quantum mechanical simulation method in anharmonic systems Total energies using present EAM potentials Monte Carlo simulations FeNi 500 atoms (15 fcc lattices) Periodic conditions Fe:Ni=64.6:35.4 random distribution 11 samples Atomic potentials Embedded Atom Method (EAM) Empirical potentials for metals M. S. Daw and M. I. Baskes, Phys. Rev. B 9, 6443 (1984). S. M. Foiles, Phys. Rev. B 3, 3409 (1985). T=0 K, perfect fcc lattice System State R e (A ) E(R e ) (ev) Remark fcc Fe fcc Fe 65 Ni 35 HS LS more stable LS by 8 mev HS HS more stable LS by 5 mev fcc Ni
6 Results of thermal expansion by EXAFS analysis Relative interatomic distance for the 1 st & 3 rd NN shells Bond (interatomic) distance & lattice distance R bond < u > = Rlattice + R lattice MSRD for 1 st & 3 rd NN shells R bond 1 st NN R lattice Vibration perpendicular to the bond < u > from Θ D 3 rd NN Fe 1 st NN almost no thermal expansion Ni 1 st NN smaller than fcc Ni 3 rd NN associated with lattice
7 Computational results for thermal expansion Quantum Both bond & lattice distances agree well with experiments Classical At LT (<100 K) large expansion deviates from experiments at LT Conclusion 1: Quantum effect Very important at LT Without quantum effect, normal thermal expansion
8 Analysis of each component in 1 st NN shells Fe-Fe almost no thermal expansion Large deviation from HS-only results that may show hypothetical normal thermal expansion Ni-Fe, Ni-Ni smaller than normal due to change of Fe potential Expansion of Ni-Fe larger than Ni-Ni Fe surrounded by many Ni shows HS Ni-Ni potential softer Ni-Fe more likely to follow lattice EXAFS cannot distinguish 1 st NN Fe-Fe & Fe-Ni or Ni-Ni & Ni-Fe PIECP MC can easily distinguish To show hypothetical normal expansion, case of HS-only Fe was calculated (dashed lines) Conclusion : Local expansion Ni also shows very small expansion due to the change of Fe potentials.
9 Asymmetry or anharmonicity 1 st NN Both Fe & Ni show rather normal C 3 Conclusion 3: Asymmetry in no thermal expansion system Even in no thermal expansion system, RDF is asymmetric as usual Anharmonicity exists normally 3 rd NN Both Fe & Ni show no asymmetry No chemical bond in 3 rd NN shell gives no anharmoinicity RDF for non-interaction From central limit theorem, RDF should be gaussian T. Yokoyama, T. Ohta, and H. Sato, Phys. Rev. B 55, 1130 (1997).
10 Summary Combining EXAFS & PIECP, thermal expansion of Invar alloy Fe 64.6 Ni 35.4 is studied. 1. Thermal expansion originates from thermal vibration Quantum effect at low temperature? Quantum effect at LT is essential. Without quantum effect, normal thermal expansion. Transformation of HS LS only in Fe Local thermal expansion especially around Ni? Fe 1 st NN almost no expansion Ni 1 st NN smaller expansion than normal due to Fe potentials 3. Anharmoncity in the no thermal expansion system Although thermal expansion inherently originates from anharmonicity, there can be clearly found the asymmetry of the RDF (=3 rd -order anharmonicity) even in the system without thermal expansion. T. Yokoyama and K. Eguchi, Phys. Rev. Lett. 107 (011)
P ath-integral approach to anharmonic vibration of solids and solid surfaces
P ath-integral approach to anharmonic vibration of solids and solid surfaces T oshihiko Y OK OY AMA Department of C hemistry, G raduate S chool of S cience, T he University of T okyo, E -mail: toshi@ chem.s.u-tokyo.ac.jp
More informationUsing the Anharmonic Correclated Einstein Model for Calculation the Thermodynamic Parameters and Cumulants of Dopant Face Cubic Center Crystals
AASCIT Journal of Physics 015; 1(1: 1-5 Published online March 0, 015 (http://www.aascit.org/journal/physics Using the Anharmonic Correclated instein Model for Calculation the Thermodynamic Parameters
More informationAASCIT Journal of Physics 2015; 1(2): Published online April 30, 2015 (http://www.aascit.org/journal/physics) Nguyen Ba Duc, Nguyen Thi Lan Anh
AASCIT Journal of Physics 5; (): 64-68 Published online April, 5 (http://www.aascit.org/journal/physics) ffective Anharmonic instein Potential for the Thermodynamic Parameters, Three First Cumulants and
More informationMolecular dynamics simulations of EXAFS in germanium
Cent. Eur. J. Phys. 93 2011 710-715 DOI: 10.2478/s11534-010-0074-0 Central European Journal of Physics Molecular dynamics simulations of EXAFS in germanium Research Article Janis Timoshenko Alexei Kuzmin
More informationEXAFS. Extended X-ray Absorption Fine Structure
AOFSRR Cheiron School 2010, SPring-8 EXAFS Oct. 14th, 2010 Extended X-ray Absorption Fine Structure Iwao Watanabe Ritsumeikan University EXAFS Theory Quantum Mechanics Models Approximations Experiment
More informationFirst Shell EXAFS Analysis
EXAFS Data Collection and Analysis Workshop, NSLS, July, First Shell EXAFS Analysis Anatoly Frenkel Physics Department, Yeshiva University, New York, NY 116 frenkel@bnl.gov General strategy: -Collect good
More informationFrom Atoms to Materials: Predictive Theory and Simulations
From Atoms to Materials: Predictive Theory and Simulations Week 3 Lecture 4 Potentials for metals and semiconductors Ale Strachan strachan@purdue.edu School of Materials Engineering & Birck anotechnology
More informationPotentials, periodicity
Potentials, periodicity Lecture 2 1/23/18 1 Survey responses 2 Topic requests DFT (10), Molecular dynamics (7), Monte Carlo (5) Machine Learning (4), High-throughput, Databases (4) NEB, phonons, Non-equilibrium
More information日本物理学会 第58回年次大会 2003年3月28日 東北大学(仙台) 28aYE-5 Cuエチレンジアミン錯体 における光誘起相転移の XAFS 横山利彦1 高橋一志2 佐藤治2 1 分子科学研究所 2 神奈川科学技術アカデミー
u XAFS Previous XAFS works on photoinduced phases Local structures of the photo-induced phases are usually equivalent to the high-temperature ones. Fe (II) (pic) l H OH H. Oyanagi et al., to be published.
More informationAlex M Imai, Y. Ohta and A. Itoh Department of Nuclear Engineering, Kyoto University
Alex M Imai, Y. Ohta and A. Itoh Department of Nuclear Engineering, Kyoto University Joint IAEA-NFRI Technical Meeting on Data Evaluation for Atomic, Molecular and Plasma-Material Interaction Processes
More informationFirst Shell EXAFS Analysis
EXAFS Data Collection and Analysis Workshop, NSLS, September -5, 00 First Shell EXAFS Analysis Anatoly Frenkel It is very difficult to find a black cat in a dark room, especially if it is not there Physics
More informationTime Resolved (Pump Probe) Experiment to watch structural dynamics by using the pulsed nature of synchrotron radiation
SESAME-JSPS School November 14-16, 2011 Amman, Jordan Time Resolved (Pump Probe) Experiment to watch structural dynamics by using the pulsed nature of synchrotron radiation Shin-ichi Adachi (Photon Factory,
More informationPossibility of Magnetic Imaging Using Photoelectron Emission Microscopy with Ultraviolet Lights
Possibility of agnetic Imaging Using Photoelectron Emission icroscopy with Ultraviolet Lights Institute for olecular Science Toshihiko Yokoyama and Takeshi Nakagawa XCD PEE and UV LD/CD PEE XCD PEE UV
More informationSUPPLEMENTARY INFORMATION
Anisotropic phase segregation and migration of Pt in nanocrystals en route to nanoframe catalysts Zhiqiang Niu 1, Nigel Becknell 1, Yi Yu 1,2, Dohyung Kim 3, Chen Chen 1,4, Nikolay Kornienko 1, Gabor A.
More informationLocal Electronic Structures and Chemical Bonds in Zr-Based Metallic Glasses
Materials Transactions, Vol. 45, No. 4 (2004) pp. 1172 to 1176 Special Issue on Bulk Amorphous, Nano-Crystalline and Nano-Quasicrystalline Alloys-V #2004 The Japan Institute of Metals Local Electronic
More informationMonte Carlo Study of Planar Rotator Model with Weak Dzyaloshinsky Moriya Interaction
Commun. Theor. Phys. (Beijing, China) 46 (2006) pp. 663 667 c International Academic Publishers Vol. 46, No. 4, October 15, 2006 Monte Carlo Study of Planar Rotator Model with Weak Dzyaloshinsky Moriya
More informationMuffin-tin potentials in EXAFS analysis
J. Synchrotron Rad. (5)., doi:.7/s6577555 Supporting information Volume (5) Supporting information for article: Muffin-tin potentials in EXAFS analysis B. Ravel Supplemental materials: Muffin tin potentials
More informationNeutron Diffraction Study of Antiferromagnetic Phase Transitions in an Ordered Pt 3 Fe(111) Film
Neutron Diffraction Study of Antiferromagnetic Phase Transitions in an Ordered Pt 3 Fe(111) Film G. J. Mankey, V. V. Krishnamurthy, and I. Zoto MINT Center, The University of Alabama, Tuscaloosa, AL 35487-0209
More informationX-Ray Photoelectron Spectroscopy (XPS) Prof. Paul K. Chu
X-Ray Photoelectron Spectroscopy (XPS) Prof. Paul K. Chu X-ray Photoelectron Spectroscopy Introduction Qualitative analysis Quantitative analysis Charging compensation Small area analysis and XPS imaging
More informationATOMISTIC MODELING OF DIFFUSION IN ALUMINUM
ATOMISTIC MODELING OF DIFFUSION IN ALUMINUM S. GRABOWSKI, K. KADAU and P. ENTEL Theoretische Physik, Gerhard-Mercator-Universität Duisburg, 47048 Duisburg, Germany (Received...) Abstract We present molecular-dynamics
More informationMagnetic Materials. The inductor Φ B = LI (Q = CV) = L I = N Φ. Power = VI = LI. Energy = Power dt = LIdI = 1 LI 2 = 1 NΦ B capacitor CV 2
Magnetic Materials The inductor Φ B = LI (Q = CV) Φ B 1 B = L I E = (CGS) t t c t EdS = 1 ( BdS )= 1 Φ V EMF = N Φ B = L I t t c t B c t I V Φ B magnetic flux density V = L (recall I = C for the capacitor)
More informationThe Nuclear Many Body Problem Lecture 3
The Nuclear Many Body Problem Lecture 3 Shell structure in nuclei and the phenomenological shell model approach to nuclear structure Ab initio approach to nuclear structure. Green's function Monte Carlo
More informationIntroductory Nanotechnology ~ Basic Condensed Matter Physics ~
Introductory Nanotechnology ~ Basic Condensed Matter Physics ~ Atsufumi Hirohata Department of Electronics Go into Nano-Scale Lateral Size [m] 10-3 10-6 Micron-scale Sub-Micron-scale Nano-scale Human hair
More informationThe Nuclear Many-Body Problem. Lecture 2
The Nuclear Many-Body Problem Lecture 2 How do we describe nuclei? Shell structure in nuclei and the phenomenological shell model approach to nuclear structure. Ab-initio approach to nuclear structure.
More informationChapter 2 EXAFS structure analysis using the program XFIT
13 Chapter EXAFS structure analysis using the program XFIT This chapter is based on a paper published in J. Synchrotron Rad. (Ellis & Freeman, 1995)..1 Introduction The analysis of EXAFS can yield the
More informationEXAFS data analysis. Extraction of EXAFS signal
EXAFS data analysis Extraction of EXAFS signal 1 Experimental EXAFS spectrum Φ x Φ µ (ω) source monochromator sample detectors 1 6 1 5 32 - Ge 1 4 1 3 1 2 1 1 1 1 1 Photon energy hω (kev) 1-1 Ge, 1 K µ
More informationT. Egami. Model System of Dense Random Packing (DRP)
Introduction to Metallic Glasses: How they are different/similar to other glasses T. Egami Model System of Dense Random Packing (DRP) Hard Sphere vs. Soft Sphere Glass transition Universal behavior History:
More informationSupplementary Information for Observation of dynamic atom-atom correlation in liquid helium in real space
3 4 5 6 7 8 9 0 3 4 5 6 7 8 9 0 Supplementary Information for Observation of dynamic atom-atom correlation in liquid helium in real space Supplementary Note : Total PDF The total (snap-shot) PDF is obtained
More informationPart 1: What is XAFS? What does it tell us? The EXAFS equation. Part 2: Basic steps in the analysis Quick overview of typical analysis
Introduction to XAFS Part 1: What is XAFS? What does it tell us? The EXAFS equation Part 2: Basic steps in the analysis Quick overview of typical analysis Tomorrow Measurement methods and examples The
More informationSTUDY ON CORROSION P HENOMENA OF STEELS IN PB-BI FLOW
11 th International Conference on Nuclear Engineering Tokyo, JAPAN, April -3, 3 ICONE11-36375 STUDY ON CORROSION P HENOMENA OF STEELS IN PB-BI FLOW Yingxia Qi Research Laboratory for Nuclear Reactors Tokyo
More informationLecture 4: Band theory
Lecture 4: Band theory Very short introduction to modern computational solid state chemistry Band theory of solids Molecules vs. solids Band structures Analysis of chemical bonding in Reciprocal space
More informationModèle de liaisons fortes au 4ème moment pour traiter l ordre-désordre dans les alliages
Modèle de liaisons fortes au 4ème moment pour traiter l ordre-désordre dans les alliages Jan Los, Christine Mottet, Guy Tréglia CINaM, Marseille Christine Goyhenex IPCMS, Strasbourg Outline Context Tight
More informationMechanisms of inert gas impact induced interlayer mixing in metal multilayers grown by sputter deposition
JOURNAL OF APPLIED PHYSICS VOLUME 90, NUMBER 7 1 OCTOBER 2001 Mechanisms of inert gas impact induced interlayer mixing in metal multilayers grown by sputter deposition X. W. Zhou and H. N. G. Wadley Intelligent
More informationStructural characterization. Part 1
Structural characterization Part 1 Experimental methods X-ray diffraction Electron diffraction Neutron diffraction Light diffraction EXAFS-Extended X- ray absorption fine structure XANES-X-ray absorption
More informationStructure and Curie temperature of Y 2 Fe 17 x Cr x
Vol. 46 No. 4 SCIENCE IN CHINA (Series G) August 2003 Structure and Curie temperature of Y 2 Fe 17 x Cr x HAO Shiqiang ( ) 1 & CHEN Nanxian ( ) 1,2 1. Department of Physics, Tsinghua University, Beijing
More information5 questions, 3 points each, 15 points total possible. 26 Fe Cu Ni Co Pd Ag Ru 101.
Physical Chemistry II Lab CHEM 4644 spring 2017 final exam KEY 5 questions, 3 points each, 15 points total possible h = 6.626 10-34 J s c = 3.00 10 8 m/s 1 GHz = 10 9 s -1. B= h 8π 2 I ν= 1 2 π k μ 6 P
More informationNovel Magnetic Properties of Carbon Nanotubes. Abstract
Novel Magnetic Properties of Carbon Nanotubes Jian Ping Lu Department of Physics and Astronomy, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 jpl@physics.unc.edu arxiv:cond-mat/94779v1
More informationThe mechanism of antiferromagnetism in chromium
HOME SEARCH PACS & MSC JOURNALS ABOUT CONTACT US The mechanism of antiferromagnetism in chromium This article has been downloaded from IOPscience. Please scroll down to see the full text article. 1998
More informationReactive potentials and applications
1.021, 3.021, 10.333, 22.00 Introduction to Modeling and Simulation Spring 2011 Part I Continuum and particle methods Reactive potentials and applications Lecture 8 Markus J. Buehler Laboratory for Atomistic
More informationAn EAM potential for the dynamical simulation of Ni-Al alloys
J. At. Mol. Sci. doi: 10.4208/jams.022310.031210a Vol. 1, No. 3, pp. 253-261 August 2010 An EAM potential for the dynamical simulation of Ni-Al alloys Jian-Hua Zhang, Shun-Qing Wu, Yu-Hua Wen, and Zi-Zhong
More informationMatSci 331 Homework 4 Molecular Dynamics and Monte Carlo: Stress, heat capacity, quantum nuclear effects, and simulated annealing
MatSci 331 Homework 4 Molecular Dynamics and Monte Carlo: Stress, heat capacity, quantum nuclear effects, and simulated annealing Due Thursday Feb. 21 at 5pm in Durand 110. Evan Reed In this homework,
More informationA Comparative Study on the Differences in the Evolutions of Thin Film Morphologies of Co-Al Binary System: Molecular Dynamics Study
Mat. Res. Soc. Symp. Proc. Vol. 777 2003 Materials Research Society T8.10.1 A Comparative Study on the Differences in the Evolutions of Thin Film Morphologies of Co-Al Binary System: Molecular Dynamics
More informationStopping power for MeV 12 C ions in solids
Nuclear Instruments and Methods in Physics Research B 35 (998) 69±74 Stopping power for MeV C ions in solids Zheng Tao, Lu Xiting *, Zhai Yongjun, Xia Zonghuang, Shen Dingyu, Wang Xuemei, Zhao Qiang Department
More informationX-ray Absorption Spectroscopy
X-ray Absorption Spectroscopy Matthew Newville Center for Advanced Radiation Sources University of Chicago 12-Sept-2014 SES VI SES VI 12-Sept-2014 SES VI What Is XAFS? X-ray Absorption Fine-Structure (XAFS)
More informationPractical approach to EXAFS Data Analysis
Practical approach to EXAFS Data Analysis by Alexei Kuzmin Institute of Solid State Physics, University of Latvia Kengaraga street 8, LV-1063 Riga, Latvia E-mail: a.kuzmin@cfi.lu.lv Software for EXAFS
More informationSupplementary Materials
Supplementary Materials Sample characterization The presence of Si-QDs is established by Transmission Electron Microscopy (TEM), by which the average QD diameter of d QD 2.2 ± 0.5 nm has been determined
More informationBody-centred-cubic (BCC) lattice model of nuclear structure
Body-centred-cubic (BCC) lattice model of nuclear structure Gamal A. Nasser Faculty of science, Mansoura University, Egypt. E-mail: chem.gamal@hotmail.com. Abstract: This model is development of solid
More informationStructural characterization. Part 2
Structural characterization Part Determining partial pair distribution functions X-ray absorption spectroscopy (XAS). Atoms of different elements have absorption edges at different energies. Structure
More informationSolid State Spectroscopy Problem Set 7
Solid State Spectroscopy Problem Set 7 Due date: June 29th, 2015 Problem 5.1 EXAFS Study of Mn/Fe substitution in Y(Mn 1-x Fe x ) 2 O 5 From article «EXAFS, XANES, and DFT study of the mixed-valence compound
More informationImpact of magnetism upon chemical interactions in Fe alloys
Impact of magnetism upon chemical interactions in Fe alloys A.V. Ruban KTH, Stockholm 2009 M. Ohr, 1985 (Pettifor) C. Wolverton, 2005 Multi-scale engineering design FEM CAD-CAM Engineering design Density
More informationStudy on Magnetic Properties of Vermiculite Intercalation compounds
Study on Magnetic Properties of Vermiculite Intercalation compounds M. Suzuki and I.S. Suzuki Department of Physics, State University of New York at Binghamton (October, ) I. INTRODUCTION In recent years
More informationCrystals Statics. Structural Properties. Geometry of lattices. Aug 23, 2018
Crystals Statics. Structural Properties. Geometry of lattices Aug 23, 2018 Crystals Why (among all condensed phases - liquids, gases) look at crystals? We can take advantage of the translational symmetry,
More informationA tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite
J. Phys.: Condens. Matter 9 (1997) 7071 7080. Printed in the UK PII: S0953-8984(97)83513-8 A tight-binding molecular dynamics study of phonon anharmonic effects in diamond and graphite G Kopidakis, C Z
More informationOperando Time-resolved XAFS Study for Surface Events on a Pt 3 Co/C. Cathode Catalyst in a PEFC during Voltage-Operating Processes
Operando Time-resolved XAFS Study for Surface Events on a Pt 3 Co/C Cathode Catalyst in a PEFC during Voltage-Operating Processes Nozomu Ishiguro ǁ, Takahiro Saida ǁ, Tomoya Uruga, Shin-ichi Nagamatsu,
More informationJoint ICTP-IAEA Workshop on Nuclear Structure Decay Data: Theory and Evaluation August Introduction to Nuclear Physics - 1
2358-19 Joint ICTP-IAEA Workshop on Nuclear Structure Decay Data: Theory and Evaluation 6-17 August 2012 Introduction to Nuclear Physics - 1 P. Van Isacker GANIL, Grand Accelerateur National d'ions Lourds
More information7. How many unpaired electrons are there in an atom of tin in its ground state? 2
Name period AP chemistry Unit 2 worksheet 1. List in order of increasing energy: 4f, 6s, 3d,1s,2p 1s, 2p, 6s, 4f 2. Explain why the effective nuclear charge experienced by a 2s electron in boron is greater
More informationQuasiharmonic models for the calculation of thermodynamic properties of crystalline silicon under strain
JOURNAL OF APPLIED PHYSICS 99, 64314 26 Quasiharmonic models for the calculation of thermodynamic properties of crystalline silicon under strain H. Zhao and Z. Tang Department of Mechanical and Industrial
More informationSurface Sensitivity & Surface Specificity
Surface Sensitivity & Surface Specificity The problems of sensitivity and detection limits are common to all forms of spectroscopy. In its simplest form, the question of sensitivity boils down to whether
More informationPart XI. Optimising Femtosecond K α Sources
Part XI Optimising K α Sources 333 / 353 K α sources Goals: maximize # photons < 100 fs pulse length minimize spot size (magnification) maximize throughput (ave. power) 334 / 353 Applications of femtosecond
More informationSoft X-ray Physics DELNOR-WIGGINS PASS STATE PARK
Soft X-ray Physics Overview of research in Prof. Tonner s group Introduction to synchrotron radiation physics Photoemission spectroscopy: band-mapping and photoelectron diffraction Magnetic spectroscopy
More informationRe-writable DVDs: what makes phase-change materials work the way they do
Re-writable DVDs: what makes phase-change materials work the way they do A.V. Kolobov 1,2, P. Fons 1, J. Tominaga 2 1 Center for Applied Near-Field Optics Research, National Institute of Advanced Industrial
More informationX-ray absorption at the L 2,3 edge of an anisotropic single crystal: Cadmium 0001
PHYSICAL REVIEW B VOLUME 54, NUMBER 4 5 JULY 996-II X-ray absorption at the L 2,3 edge of an anisotropic single crystal: Cadmium 000 P. Le Fèvre Laboratoire pour l Utilisation du Rayonnement Electromagnetique
More informationSurface stress and relaxation in metals
J. Phys.: Condens. Matter 12 (2000) 5541 5550. Printed in the UK PII: S0953-8984(00)11386-4 Surface stress and relaxation in metals P M Marcus, Xianghong Qian and Wolfgang Hübner IBM Research Center, Yorktown
More informationClassical potentials for metals
Classical potentials for metals About 80 % of all elements are metals. The crystal structures of the elements are distributed as follows: FCC 15 HCP 26 BCC 16 All other metals 13 So if we can describe
More informationAn Introduction to XAFS
An Introduction to XAFS Matthew Newville Center for Advanced Radiation Sources The University of Chicago 21-July-2018 Slides for this talk: https://tinyurl.com/larch2018 https://millenia.cars.aps.anl.gov/gsecars/data/larch/2018workshop
More informationOrdering and correlation of cluster orientations in CaCd 6
Philosophical Magazine, Vol. 00, No. 00, DD Month 200x, 1 5 Ordering and correlation of cluster orientations in CaCd 6 PETER BROMMER, FRANZ GÄHLER and MAREK MIHALKOVIČ Institut für Theoretische und Angewandte
More informationAbsolute photon energy calibration using π 0 s
Absolute photon energy calibration using π s A.D. Bukin BINP, Novosibirsk June 1, 25 BaBar Note #571 BaBar Note #582 analytically First idea of deconvolution algorithm Idea to use special fitting functions
More informationX-ray Absorption Spectroscopy Eric Peterson 9/2/2010
X-ray Absorption Spectroscopy Eric Peterson 9/2/2010 Outline Generation/Absorption of X-rays History Synchrotron Light Sources Data reduction/analysis Examples Crystallite size from Coordination Number
More informationLecture contents. A few concepts from Quantum Mechanics. Tight-binding model Solid state physics review
Lecture contents A few concepts from Quantum Mechanics Particle in a well Two wells: QM perturbation theory Many wells (atoms) BAND formation Tight-binding model Solid state physics review Approximations
More informationMartes cuántico Zaragoza, 8 th October Atomic and molecular spin qubits. Fernando LUIS Instituto de Ciencia de Materiales de Aragón
Martes cuántico Zaragoza, 8 th October 2013 Atomic and molecular spin qubits Fernando LUIS Instituto de Ciencia de Materiales de Aragón Outline Quantum information with spins 1 0 Atomic defects in semiconductors
More informationSpin Cut-off Parameter of Nuclear Level Density and Effective Moment of Inertia
Commun. Theor. Phys. (Beijing, China) 43 (005) pp. 709 718 c International Academic Publishers Vol. 43, No. 4, April 15, 005 Spin Cut-off Parameter of Nuclear Level Density and Effective Moment of Inertia
More informationequation of state and bulk modulus of AlP, AlAs and AlSb semiconductor compounds
PRAMANA c Indian Academy of Sciences Vol. 64, No. 1 journal of January 2005 physics pp. 153 158 Total energy, equation of state and bulk modulus of AlP, AlAs and AlSb semiconductors A R JIVANI, H J TRIVEDI,
More informationThe interacting boson model
The interacting boson model P. Van Isacker, GANIL, France Dynamical symmetries of the IBM Neutrons, protons and F-spin (IBM-2) T=0 and T=1 bosons: IBM-3 and IBM-4 The interacting boson model Nuclear collective
More informationName: Student ID Number: Section Number:
Chem 6A 2011 (Sailor) QUIZ #7 Name: Student ID Number: Section Number: VERSION A KEY Some useful constants and relationships: Specific heat capacities (in J/g. K): H 2 O (l) = 4.184; Al (s) = 0.900; Cu
More informationProperties of Individual Nanoparticles
TIGP Introduction technology (I) October 15, 2007 Properties of Individual Nanoparticles Clusters 1. Very small -- difficult to image individual nanoparticles. 2. New physical and/or chemical properties
More informationIntroduction to X-ray Absorption Near Edge Spectroscopy (XANES) Ritimukta Sarangi SSRL, SLAC Stanford University June 28, 2010
Introduction to X-ray Absorption Near Edge Spectroscopy (XANES) Ritimukta Sarangi SSRL, SLAC Stanford University June 28, 2010 Basics of X-ray Absorption Spectroscopy (XAS) An edge results when a core
More informationElectron Configuration. The electron configuration of an atom tells us how the electrons are distributed among the various atomic orbitals.
Electron Configuration The electron configuration of an atom tells us how the electrons are distributed among the various atomic orbitals. Spin Quantum Number, m s In the 1920s, it was discovered that
More informationFinite temperature vacancy formation thermodynamics: local harmonic and quasiharmonic studies
Modelling Simul. Mater. Sci. Erg. l(1993) 539-551. Printed in the UK Finite temperature vacancy formation thermodynamics: local harmonic and quasiharmonic studies L Zhaot. R Najafabadif and D J Srolovitzts
More informationPart II. Fundamentals of X-ray Absorption Fine Structure: data analysis
Part II Fundamentals of X-ray Absorption Fine Structure: data analysis Sakura Pascarelli European Synchrotron Radiation Facility, Grenoble, France Page 1 S. Pascarelli HERCULES 2016 Data Analysis: EXAFS
More information3.091 Introduction to Solid State Chemistry. Lecture Notes No. 5a ELASTIC BEHAVIOR OF SOLIDS
3.091 Introduction to Solid State Chemistry Lecture Notes No. 5a ELASTIC BEHAVIOR OF SOLIDS 1. INTRODUCTION Crystals are held together by interatomic or intermolecular bonds. The bonds can be covalent,
More informationExperimental study of nonlinear laser-beam Thomson scattering
Experimental study of nonlinear laser-beam Thomson scattering T. Kumita, Y. Kamiya, T. Hirose Department of Physics, Tokyo Metropolitan University, 1-1 Minami-Ohsawa, Hachioji, Tokyo 192-0397, Japan I.
More informationPROBING CRYSTAL STRUCTURE
PROBING CRYSTAL STRUCTURE Andrew Baczewski PHY 491, October 10th, 2011 OVERVIEW First - we ll briefly discuss Friday s quiz. Today, we will answer the following questions: How do we experimentally probe
More informationMal. Res. Soc. Symp. Proc. Vol Materials Research Society
91 MOLECULAR-DYNAMICS SIMULATION OF THIN-FILM GROWTH MATTHIAS SCHNEIDER,* IVAN K. SCHULLER,* AND A. RAHMAN Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 Supercomputer Institute,
More informationCalculation of the elastic energy of a solid solution
Calculation of the elastic energy of a solid solution Volker Mohles, Barend Thijsse, Emmanuel Jannot To cite this version: Volker Mohles, Barend Thijsse, Emmanuel Jannot. Calculation of the elastic energy
More informationSupplementary Information
1 Supplementary Information 3 Supplementary Figures 4 5 6 7 8 9 10 11 Supplementary Figure 1. Absorbing material placed between two dielectric media The incident electromagnetic wave propagates in stratified
More informationUnit Two: Elements & Matter. February 1, 2016
Unit Two: Elements & Matter February 1, 2016 Warm-Up: 2/1/2016 1. Fill in the following information: Atomic Symbol Ca 2+ Atomic Number Proton Neutron Electron 34 36 Mass Num. 2. Identify which family the
More informationarxiv:cond-mat/ v4 [cond-mat.dis-nn] 23 May 2001
Phase Diagram of the three-dimensional Gaussian andom Field Ising Model: A Monte Carlo enormalization Group Study arxiv:cond-mat/488v4 [cond-mat.dis-nn] 3 May M. Itakura JS Domestic esearch Fellow, Center
More informationSimulation of Optics Correction for ERLs. V. Sajaev, ANL
Simulation of Optics Correction for ERLs V. Sajaev, ANL Introduction Minimization of particle losses in ERL arcs requires use of sextupoles As in storage rings, trajectory errors in the presence of sextupoles
More informationThermal and Mechanical Properties of Pt-Rh Alloys
arxiv:cond-mat/9611241v1 [cond-mat.mtrl-sci] 28 Nov 1996 Thermal and Mechanical Properties of Pt-Rh Alloys G. Dereli, T. Çağın, M. Uludoğan, M. Tomak Department of Physics, Middle East Technical University,
More informationChemistry Faculty Publications
University of Rhode Island DigitalCommons@URI Chemistry Faculty Publications Chemistry 1996 Theoretical Studies of the Structure and Dynamics of Metal/Hydrogen Systems: Diffusion and Path Integral Monte
More informationModeling Electron Emission From Diamond-Amplified Cathodes
Modeling Electron Emission From Diamond-Amplified Cathodes D. A. Dimitrov Tech-X Corporation, Boulder, CO I. Ben-Zvi, T. Rao, J. Smedley, E. Wang, X. Chang Brookhaven National Lab, NY This work is funded
More informationThermodynamics of solid and liquid embedded-atom-method metals: A variational study
Thermodynamics of solid and liquid embedded-atom-method metals: A variational study R. LeSar Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 R. Najafabadi and D. J. Srolovitz
More informationLecture Outline: Atomic Structure
Lecture Outline: Atomic Structure Electronic Structure of the Atom Periodic Table Types of Atomic Bonding, primary/secondary bonds Coordination and next neighbors Binding Energy, Interatomic Spacing, &
More informationLecture 2: Bonding in solids
Lecture 2: Bonding in solids Electronegativity Van Arkel-Ketalaar Triangles Atomic and ionic radii Band theory of solids Molecules vs. solids Band structures Analysis of chemical bonds in Reciprocal space
More informationStructure of Surfaces
Structure of Surfaces C Stepped surface Interference of two waves Bragg s law Path difference = AB+BC =2dsin ( =glancing angle) If, n =2dsin, constructive interference Ex) in a cubic lattice of unit cell
More informationComplementary approaches to high T- high p crystal structure stability and melting!
Complementary approaches to high T- high p crystal structure stability and melting! Dario ALFÈ Department of Earth Sciences & Department of Physics and Astronomy, Thomas Young Centre@UCL & London Centre
More informationStudy of Ni/Al Interface Diffusion by Molecular Dynamics Simulation*
Engineering, 2011, 3, 227-232 doi:10.4236/eng.2011.33026 Published Online March 2011 (http://www.scirp.org/journal/eng) Study of Ni/Al Interface Diffusion by Molecular Dynamics Simulation* Chunguang Zhang,
More informationWeek 11/Th: Lecture Units 28 & 29
Week 11/Th: Lecture Units 28 & 29 Unit 27: Real Gases Unit 28: Intermolecular forces -- types of forces between molecules -- examples Unit 29: Crystal Structure -- lattice types -- unit cells -- simple
More informationMean-field theory. Alessandro Vindigni. ETH October 29, Laboratorium für Festkörperphysik, ETH Zürich
Alessandro Vindigni Laboratorium für Festkörperphysik, ETH Zürich ETH October 29, 2012 Lecture plan N-body problem Lecture plan 1. Atomic magnetism (Pescia) 2. Magnetism in solids (Pescia) 3. Magnetic
More informationCalculation of thermal expansion coefficient of Fe3Al with the addition of transition metal elements Abstract Introduction Methodology
Calculation of thermal expansion coefficient of Fe Al with the addition of transition metal elements Tatiana Seletskaia, Leonid Muratov, Bernard Cooper, West Virginia University, Physics Departement, Hodges
More information