Application of lattice dynamics and molecular dynamics techniques to minerals and their surfaces

被引:17
|
作者
Parker, SC [1 ]
de Leeuw, NH
Bourova, E
Cooke, DJ
机构
[1] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England
[2] Univ Reading, Dept Chem, Reading RG6 6AD, Berks, England
来源
MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES | 2001年 / 42卷
关键词
D O I
10.2138/rmg.2001.42.3
中图分类号
P3 [地球物理学]; P59 [地球化学];
学科分类号
0708 ; 070902 ;
摘要
[No abstract available]
引用
收藏
页码:63 / 82
页数:20
相关论文
共 50 条
  • [31] Molecular beams and chemical dynamics at surfaces
    Kleyn, AW
    CHEMICAL SOCIETY REVIEWS, 2003, 32 (02) : 87 - 95
  • [32] Nonadiabatic Molecular Dynamics at Metal Surfaces
    Dou, Wenjie
    Subotnik, Joseph E.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (05): : 757 - 771
  • [33] A Method for Molecular Dynamics on Curved Surfaces
    Paquay, Stefan
    Kusters, Remy
    BIOPHYSICAL JOURNAL, 2016, 110 (06) : 1226 - 1233
  • [34] MOLECULAR-DYNAMICS STUDY OF SURFACES
    PONTIKIS, V
    ANNALES DE CHIMIE-SCIENCE DES MATERIAUX, 1986, 11 (01): : 29 - 36
  • [35] Electrokinetic Lattice Boltzmann Solver Coupled to Molecular Dynamics: Application to Polymer Translocation
    Datar, Adwait V.
    Fyta, Maria
    Marconi, Umberto Marini Bettolo
    Melchionna, Simone
    LANGMUIR, 2017, 33 (42) : 11635 - 11645
  • [36] LATTICE THERMAL-CONDUCTIVITY - A COMPARISON OF MOLECULAR-DYNAMICS AND ANHARMONIC LATTICE-DYNAMICS
    LADD, AJC
    MORAN, B
    HOOVER, WG
    PHYSICAL REVIEW B, 1986, 34 (08): : 5058 - 5064
  • [37] Lattice Boltzmann simulation of droplet dynamics on groove surfaces
    Tang Z.
    Xu B.
    Wang X.
    Chen Z.
    Dongnan Daxue Xuebao (Ziran Kexue Ban)/Journal of Southeast University (Natural Science Edition), 2024, 54 (02): : 495 - 502
  • [38] Molecular structure and dynamics of water on the surfaces of cement hydration products and associated Minerals: Nanoscale wettability behavior
    Zheng, Heping
    Duan, Yuying
    Liu, Lirong
    Wang, Pan
    Pang, Bo
    Duan, Huanchao
    Hou, Dongshuai
    APPLIED SURFACE SCIENCE, 2025, 687
  • [39] Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation
    Latino, Diogo A. R. S.
    Freitas, Filomena F. M.
    Aires-De-Sousa, Joao
    Fernandes, Fernando M. S. Silva
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2007, 107 (11) : 2120 - 2132
  • [40] Application of molecular dynamics simulations to understanding β-secretase dynamics
    Cheng, Alan
    Borhani, David
    Kalenkiewicz, Andrew
    Whittington, Douglas
    Jensen, Morten
    Shaw, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250