Molecular dynamics simulations of EXAFS in germanium

被引：12
作者：
Timoshenko, Janis [1 ]
Kuzmin, Alexei [1 ]
Purans, Juris [1 ]
机构：
[1] Univ Latvia, Inst Solid State Phys, LV-1063 Riga, Latvia
来源：
CENTRAL EUROPEAN JOURNAL OF PHYSICS | 2011年 / 9卷 / 03期
关键词：
germanium; EXAFS; molecular dynamics; multiple-scattering;
D O I：
10.2478/s11534-010-0074-0
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Classical molecular dynamics simulations have been performed for crystalline germanium with the aim to estimate the thermal effects within the first three coordination shells and their influence on the single-scattering and multiple-scattering contributions to the Ge K-edge extended x-ray absorption fine structure (EXAFS).
引用
收藏
页码：710 / 715
页数：6
相关论文
共 50 条
  • [21] Folding dynamics of β-hairpins:: Molecular dynamics simulations
    Lee, J
    Jang, S
    Pak, Y
    Shin, S
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2003, 24 (06) : 785 - 791
  • [22] Fluctuations in molecular dynamics simulations
    Hoyt, J. J.
    Trautt, Z. T.
    Upmanyu, M.
    MATHEMATICS AND COMPUTERS IN SIMULATION, 2010, 80 (07) : 1382 - 1392
  • [23] Quantum mechanics-classical molecular dynamics approach to EXAFS
    Kuzmin, Alexei
    Evarestov, Robert A.
    14TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS14), PROCEEDINGS, 2009, 190
  • [24] Study on the local atomic structure of germanium in organic germanium compounds by EXAFS
    Wang, YS
    Wu, ZH
    Shi, YT
    Wang, YJ
    PHYSICA B, 1999, 262 (3-4): : 205 - 209
  • [25] EXAFS STUDY OF GERMANIUM-RICH MFI-TYPE ZEOLITES
    TUILIER, MH
    LOPEZ, A
    GUTH, JL
    KESSLER, H
    ZEOLITES, 1991, 11 (07): : 662 - 665
  • [26] EXAFS STUDY OF A GERMANIUM CATALYST IN PET POLYMER
    NISHIOJI, H
    HASHIMOTO, H
    IIDA, Y
    SAISHO, H
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1993, 32 : 517 - 519
  • [27] Molecular dynamics simulations of β-hairpin folding
    Wang, HW
    Varady, J
    Ng, L
    Sung, SS
    PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1999, 37 (03): : 325 - 333
  • [28] Molecular dynamics simulations of membrane proteins
    Turgut Baştuğ
    Serdar Kuyucak
    Biophysical Reviews, 2012, 4 (3) : 271 - 282
  • [29] New integrator for molecular dynamics simulations
    Khakimov, ZM
    COMPUTER PHYSICS COMMUNICATIONS, 2002, 147 (1-2) : 733 - 736
  • [30] Molecular Dynamics Simulations of Vacuum Diodes
    Torfason, Kristinn
    Haraldsson, Hakon Valur
    Valfells, Agust
    Manolescu, Andrei
    2018 IEEE INTERNATIONAL VACUUM ELECTRONICS CONFERENCE (IVEC), 2018, : 63 - 64
12345