3RD-ORDER ELASTIC-CONSTANTS FROM MOLECULAR-DYNAMICS - THEORY AND AN EXAMPLE CALCULATION

被引:65
作者
CAGIN, T [1 ]
RAY, JR [1 ]
机构
[1] CLEMSON UNIV, KINARD LAB PHYS, CLEMSON, SC 29631 USA
关键词
D O I
10.1103/PhysRevB.38.7940
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:7940 / 7946
页数:7
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共 33 条
[21]   LAPLACE-TRANSFORM TECHNIQUE FOR DERIVING THERMODYNAMIC EQUATIONS FROM THE CLASSICAL MICROCANONICAL ENSEMBLE [J].
PEARSON, EM ;
HALICIOGLU, T ;
TILLER, WA .
PHYSICAL REVIEW A, 1985, 32 (05) :3030-3039
[22]   MEASUREMENTS OF X-RAY LATTICE CONSTANT THERMAL EXPANSIVITY AND ISOTHERMAL COMPRESSIBILITY OF ARGON CRYSTALS [J].
PETERSON, OG ;
BATCHELDER, DN ;
SIMMONS, RO .
PHYSICAL REVIEW, 1966, 150 (02) :703-+
[23]  
RAY JR, 1988, COMPUT PHYS REP, V8, P111
[24]   STATISTICAL ENSEMBLES AND MOLECULAR-DYNAMICS STUDIES OF ANISOTROPIC SOLIDS .2. [J].
RAY, JR ;
RAHMAN, A .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) :4243-4247
[25]   FUNDAMENTAL TREATMENT OF THE ISOENTHALPIC-ISOBARIC ENSEMBLE [J].
RAY, JR ;
GRABEN, HW .
PHYSICAL REVIEW A, 1986, 34 (03) :2517-2519
[26]   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
[27]   CALCULATION OF ELASTIC-CONSTANTS USING ISOTHERMAL MOLECULAR-DYNAMICS [J].
RAY, JR ;
MOODY, MC ;
RAHMAN, A .
PHYSICAL REVIEW B, 1986, 33 (02) :895-899
[28]   DIRECT CALCULATION OF FLUCTUATION FORMULAS IN THE MICROCANONICAL ENSEMBLE [J].
RAY, JR ;
GRABEN, HW .
MOLECULAR PHYSICS, 1981, 43 (06) :1293-1297
[29]   FLUCTUATIONS AND THERMODYNAMICS PROPERTIES OF ANISOTROPIC SOLIDS [J].
RAY, JR .
JOURNAL OF APPLIED PHYSICS, 1982, 53 (09) :6441-6443
[30]   STATISTICAL ENSEMBLES AND MOLECULAR-DYNAMICS STUDIES OF ANISOTROPIC SOLIDS [J].
RAY, JR ;
RAHMAN, A .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4423-4428