CALCULATION OF ELASTIC-CONSTANTS USING ISOTHERMAL MOLECULAR-DYNAMICS

被引:51
作者
RAY, JR [1 ]
MOODY, MC [1 ]
RAHMAN, A [1 ]
机构
[1] ARGONNE NATL LAB,ARGONNE,IL 60439
来源
PHYSICAL REVIEW B | 1986年 / 33卷 / 02期
关键词
D O I
10.1103/PhysRevB.33.895
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:895 / 899
页数:5
相关论文
共 17 条
[1]   DETERMINATION OF THE ELASTIC-CONSTANTS OF SINGLE-CRYSTALS OF FCC AND HCP ARGON ALLOYS BY BRILLOUIN-SCATTERING [J].
AHMAD, SF ;
KIEFTE, H ;
CLOUTER, MJ ;
WHITMORE, MD .
PHYSICAL REVIEW B, 1982, 26 (08) :4239-4261
[2]   SOME MONTE-CARLO CALCULATIONS FOR THE LENNARD-JONES SOLID [J].
COWLEY, ER .
PHYSICAL REVIEW B, 1983, 28 (06) :3160-3163
[3]   COMPARISON OF LATTICE-DYNAMICS AND CELL-MODEL APPROXIMATIONS WITH MONTE-CARLO THERMODYNAMIC PROPERTIES [J].
HOLT, AC ;
HOOVER, WG ;
GRAY, SG ;
SHORTLE, DR .
PHYSICA, 1970, 49 (01) :61-&
[4]   ELASTIC-CONSTANTS OF SOLID AR, KR, AND XE - MONTE-CARLO STUDY [J].
KLEIN, ML ;
MURPHY, RD .
PHYSICAL REVIEW B, 1972, 6 (06) :2433-&
[5]  
KORPIUN P, 1977, RARE GAS SOLIDS, V2, pCH12
[6]   A MOLECULAR-DYNAMICS METHOD FOR SIMULATIONS IN THE CANONICAL ENSEMBLE [J].
NOSE, S .
MOLECULAR PHYSICS, 1984, 52 (02) :255-268
[7]   A UNIFIED FORMULATION OF THE CONSTANT TEMPERATURE MOLECULAR-DYNAMICS METHODS [J].
NOSE, S .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (01) :511-519
[8]  
POWELL BM, 1977, RARE GAS SOLIDS, V2, pCH15
[9]   STATISTICAL ENSEMBLES AND MOLECULAR-DYNAMICS STUDIES OF ANISOTROPIC SOLIDS .2. [J].
RAY, JR ;
RAHMAN, A .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) :4243-4247
[10]   MOLECULAR-DYNAMICS CALCULATION OF ELASTIC-CONSTANTS FOR A CRYSTALLINE SYSTEM IN EQUILIBRIUM [J].
RAY, JR ;
MOODY, MC ;
RAHMAN, A .
PHYSICAL REVIEW B, 1985, 32 (02) :733-735