A UNIFIED FORMULATION OF THE CONSTANT TEMPERATURE MOLECULAR-DYNAMICS METHODS

被引:16020
作者
NOSE, S [1 ]
机构
[1] Natl Res Council Canada, Div Chem, Ottawa, ON K1A OR6, CANADA
关键词
D O I
10.1063/1.447334
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
收藏
页码:511 / 519
页数:9
相关论文
共 27 条
[1]   MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393
[2]   A COMPARISON OF CONSTANT ENERGY, CONSTANT TEMPERATURE AND CONSTANT PRESSURE ENSEMBLES IN MOLECULAR-DYNAMICS SIMULATIONS OF ATOMIC LIQUIDS [J].
BROWN, D ;
CLARKE, JHR .
MOLECULAR PHYSICS, 1984, 51 (05) :1243-1252
[3]   ISOTHERMAL ISOBARIC MOLECULAR-DYNAMICS [J].
EVANS, DJ ;
MORRISS, GP .
CHEMICAL PHYSICS, 1983, 77 (01) :63-66
[4]   THE ISOTHERMAL ISOBARIC MOLECULAR-DYNAMICS ENSEMBLE [J].
EVANS, DJ ;
MORRISS, GP .
PHYSICS LETTERS A, 1983, 98 (8-9) :433-436
[5]   NON-EQUILIBRIUM MOLECULAR-DYNAMICS VIA GAUSS PRINCIPLE OF LEAST CONSTRAINT [J].
EVANS, DJ ;
HOOVER, WG ;
FAILOR, BH ;
MORAN, B ;
LADD, AJC .
PHYSICAL REVIEW A, 1983, 28 (02) :1016-1021
[6]   COMPUTER EXPERIMENT FOR NON-LINEAR THERMODYNAMICS OF COUETTE-FLOW [J].
EVANS, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3297-3302
[7]   EXTENSIONS OF THE MOLECULAR-DYNAMICS SIMULATION METHOD .2. ISOTHERMAL SYSTEMS [J].
HAILE, JM ;
GUPTA, S .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (06) :3067-3076
[8]   MOLECULAR-DYNAMICS AT CONSTANT PRESSURE AND TEMPERATURE [J].
HEYES, DM .
CHEMICAL PHYSICS, 1983, 82 (03) :285-301
[9]   ATOMISTIC NON-EQUILIBRIUM COMPUTER-SIMULATIONS [J].
HOOVER, WG .
PHYSICA A, 1983, 118 (1-3) :111-122
[10]   STUDIES IN MOLECULAR DYNAMICS .4. PRESSURE COLLISION RATE AND THEIR NUMBER DEPENDENCE FOR HARD DISKS [J].
HOOVER, WG ;
ALDER, BJ .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (02) :686-+