Combined length scales in dissipative particle dynamics

被引:28
作者
Backer, JA [1 ]
Lowe, CP [1 ]
Hoefsloot, HCJ [1 ]
Iedema, PD [1 ]
机构
[1] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1018 WV Amsterdam, Netherlands
关键词
D O I
10.1063/1.2013208
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
When a particle model simulates fluid behavior, the calculation of all particle interactions causes long computation times. Especially in mesoscale simulations, the bulk areas can be computationally demanding. To reduce the time spent on such regions, we propose a model that combines different length scales in one system. This is a particle analog to mesh refinement in, for instance, finite-element methods. To this end, we define particles of a coarse-grained scale within the framework of dissipative particle dynamics. These particles have a lower number density, but the same mass density, pressure, temperature, and viscosity as the original description. Furthermore, the coarse-grained particles can directly interact with the "normal" particles. The two length scales are combined in one system, coupled by an overlap region. At the edges of this region, particles transform into the other scale, through local refining or coarse graining. The resulting combined system adequately reproduces the properties and flow behavior of a normal system. When half the system is coarse grained, the computation time reduces by a factor of two. Thus, computational efficiency can be greatly increased for a variety of mesoscale applications. (c) 2005 American Institute of Physics.
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页数:10
相关论文
共 38 条
[1]   Coarse-grained dynamics of one chain in a polymer melt [J].
Akkermans, RLC ;
Briels, WJ .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (15) :6409-6422
[2]  
Allen M. P., 1987, J COMPUTER SIMULATIO, DOI DOI 10.2307/2938686
[3]   Poiseuille flow to measure the viscosity of particle model fluids [J].
Backer, JA ;
Lowe, CP ;
Hoefsloot, HCJ ;
Iedema, PD .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (15)
[4]  
BIRD RB, 1960, TRANSPORT PHENOMEA
[5]   Dynamical geometry for multiscale dissipative particle dynamics [J].
De Fabritiis, G ;
Coveney, PV .
COMPUTER PHYSICS COMMUNICATIONS, 2003, 153 (02) :209-226
[6]   Mesoscopic dynamics of colloids simulated with dissipative particle dynamics and fluid particle model [J].
Dzwinel, W ;
Yuen, DA ;
Boryczko, K .
JOURNAL OF MOLECULAR MODELING, 2002, 8 (01) :33-43
[7]   STATISTICAL-MECHANICS OF DISSIPATIVE PARTICLE DYNAMICS [J].
ESPANOL, P ;
WARREN, P .
EUROPHYSICS LETTERS, 1995, 30 (04) :191-196
[8]   Fluid particle model [J].
Espanol, P .
PHYSICAL REVIEW E, 1998, 57 (03) :2930-2948
[9]   Coarse-graining of a fluid and its relation with dissipative particle dynamics and smoothed particle dynamics [J].
Espanol, P ;
Serrano, M ;
Zuniga, I .
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 1997, 8 (04) :899-908
[10]   HYDRODYNAMICS FROM DISSIPATIVE PARTICLE DYNAMICS [J].
ESPANOL, P .
PHYSICAL REVIEW E, 1995, 52 (02) :1734-1742