A MONTE-CARLO STUDY OF CRYSTAL-STRUCTURE TRANSFORMATIONS

被引：96

作者：

YASHONATH, S

RAO, CNR

机构：

来源：

MOLECULAR PHYSICS | 1985年 / 54卷 / 01期

关键词：

D O I：

10.1080/00268978500100201

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：245 / 251

页数：7

共 9 条

[1]

FREIDEL J, 1974, J PHYS LETT PARIS L, V59

[2] NPT-ENSEMBLE MONTE-CARLO CALCULATIONS FOR BINARY LIQUID MIXTURES [J].

MCDONALD, IR .

MOLECULAR PHYSICS, 1972, 23 (01) :41-&

[3] EQUATION OF STATE CALCULATIONS BY FAST COMPUTING MACHINES [J].

METROPOLIS, N ;

ROSENBLUTH, AW ;

ROSENBLUTH, MN ;

TELLER, AH ;

TELLER, E .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (06) :1087-1092

[4] OBSERVATION OF FINITE-TEMPERATURE BAIN TRANSFORMATION (FCC[--]BCC) IN MONTE-CARLO SIMULATION OF IRON [J].

NAJAFABADI, R ;

YIP, S .

SCRIPTA METALLURGICA, 1983, 17 (10) :1199-1204

[5] CONSTANT PRESSURE MOLECULAR-DYNAMICS FOR MOLECULAR-SYSTEMS [J].

NOSE, S ;

KLEIN, ML .

MOLECULAR PHYSICS, 1983, 50 (05) :1055-1076

[6] CRYSTAL-STRUCTURE AND PAIR POTENTIALS - A MOLECULAR-DYNAMICS STUDY [J].

PARRINELLO, M ;

RAHMAN, A .

PHYSICAL REVIEW LETTERS, 1980, 45 (14) :1196-1199

[7] 1ST-PRINCIPLES ORDER-PARAMETER THEORY OF FREEZING [J].

RAMAKRISHNAN, TV ;

YUSSOUFF, M .

PHYSICAL REVIEW B, 1979, 19 (05) :2775-2794

[8]

SHYU WM, 1971, PHYS REV, V83, P237

[9]

[No title captured]

← 1 →