An alternative approach to dissipative particle dynamics

被引:247
作者
Lowe, CP [1 ]
机构
[1] Delft Univ Technol, NL-2628 CJ Delft, Netherlands
来源
EUROPHYSICS LETTERS | 1999年 / 47卷 / 02期
关键词
D O I
10.1209/epl/i1999-00365-x
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We describe a simulation method based on combining the ideas behind Andersen's thermostat and dissipative particle dynamics (DPD). The result is a Galilean invariant thermostat that conserves momentum and enhances viscosity. It therefore displays the same characteristics as DPD. Our method differs primarily in that it satisfies detailed balance by construction. If a simple scheme is used to solve the equations of motion the thermostat does not disturb the equilibrium properties of the system, regardless of the time step. We illustrate the properties of the model by describing the results of various tests on the analogous system to the dissipative ideal gas. We show that with an appropriate choice of parameters it is practical to make the viscosity orders of magnitude greater than the diffusion coefficient. This is a criterion that should be satisfied if one is interested in studying the dynamics of mesoscopic systems.
引用
收藏
页码:145 / 151
页数:7
相关论文
共 9 条
[1]  
Allen M. P., 1987, Computer Simulation of Liquids, DOI DOI 10.1093/OSO/9780198803195.001.0001
[2]   MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393
[3]   STATISTICAL-MECHANICS OF DISSIPATIVE PARTICLE DYNAMICS [J].
ESPANOL, P ;
WARREN, P .
EUROPHYSICS LETTERS, 1995, 30 (04) :191-196
[4]   Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation [J].
Groot, RD ;
Warren, PB .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (11) :4423-4435
[5]  
Hansen J P., 2013, Theory of Simple Liquids: With Applications to Soft Matter
[6]   SIMULATING MICROSCOPIC HYDRODYNAMIC PHENOMENA WITH DISSIPATIVE PARTICLE DYNAMICS [J].
HOOGERBRUGGE, PJ ;
KOELMAN, JMVA .
EUROPHYSICS LETTERS, 1992, 19 (03) :155-160
[7]   CANONICAL DYNAMICS - EQUILIBRIUM PHASE-SPACE DISTRIBUTIONS [J].
HOOVER, WG .
PHYSICAL REVIEW A, 1985, 31 (03) :1695-1697
[8]   Fokker-Planck-Boltzmann equation for dissipative particle dynamics [J].
Marsh, CA ;
Backx, G ;
Ernst, MH .
EUROPHYSICS LETTERS, 1997, 38 (06) :411-415
[9]  
Martyna GJ, 1996, MOL PHYS, V87, P1117, DOI 10.1080/00268979600100761