A COMPARISON BETWEEN COLLISIONAL DYNAMICS AND BROWNIAN DYNAMICS

被引:87
作者
LEMAK, AS
BALABAEV, NK
机构
[1] Institute of Mathematical Problems of Biology, Russian Academy of Sciences Pushchino, Moscow Region
关键词
MOLECULAR DYNAMICS; COLLISIONAL DYNAMICS; BROWNIAN DYNAMICS;
D O I
10.1080/08927029508022336
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
This paper presents an analytical investigation for the velocity relaxation of a test particle coupled to a heat bath by two different mechanisms: the Brownian dynamics (ED) and the collisional dynamics (CD). Relation between the parameters of the methods is established. The velocity relaxation spectrum induced by the coupling in the CD method is shown to be different from the one in the ED method. The difference between the spectra disappears in the limit gamma --> O, where gamma is a mass ratio of the bath atoms and the test particle.
引用
收藏
页码:223 / 231
页数:9
相关论文
共 13 条
[1]   MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393
[2]  
Balabaev N.K., 1995, RUSS J PHYS CHEM A+, V69, P24
[3]   COMPUTER-SIMULATION OF THE GENERALIZED BROWNIAN-MOTION .1. THE SCALAR CASE [J].
CICCOTTI, G ;
RYCKAERT, JP .
MOLECULAR PHYSICS, 1980, 40 (01) :141-159
[4]  
Cukier R.I., 1973, J STAT PHYS, V9, P137
[5]   GENERALIZED LANGEVIN EQUATION APPROACH FOR ATOM-SOLID-SURFACE SCATTERING - NUMERICAL TECHNIQUES FOR GAUSSIAN GENERALIZED LANGEVIN DYNAMICS [J].
DOLL, JD ;
DION, DR .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (09) :3762-3766
[6]   BROWNIAN DYNAMICS WITH HYDRODYNAMIC INTERACTIONS [J].
ERMAK, DL ;
MCCAMMON, JA .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) :1352-1360
[7]   LANGEVIN AND MOLECULAR-DYNAMICS SIMULATIONS OF LENNARD-JONES LIQUIDS [J].
GIRO, A ;
GUARDIA, E ;
PADRO, JA .
MOLECULAR PHYSICS, 1985, 55 (05) :1063-1074
[8]   SPECTRAL THEORY OF RAYLEIGHS PISTON .1. DISCRETE SPECTRUM [J].
HOARE, MR ;
RAHMAN, M .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1973, 6 (10) :1461-1478
[9]   ON THE BERENDSEN THERMOSTAT [J].
LEMAK, AS ;
BALABAEV, NK .
MOLECULAR SIMULATION, 1994, 13 (03) :177-187
[10]  
LEMAK AS, 1992, COLLISIONAL DYNAMICS