Multiscale dissipative particle dynamics

被引:10
作者
De Fabritiis, GD
Coveney, PV
Flekkoy, EG
机构
[1] Univ London Queen Mary, Ctr Computat Sci, London E1 4NS, England
[2] Univ Oslo, Dept Phys, N-0316 Oslo, Norway
来源
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES | 2002年 / 360卷 / 1792期
关键词
mesoscopic fluids; Voronoi tessellation; dissipative particle dynamics; kinetic theory;
D O I
10.1098/rsta.2001.0956
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
We present a simplified kinetic derivation of the multiscale Voronoi-based dissipative particle dynamics (DPD) method. The Voronoi tessellation is used to coarse-grain the molecular level of a fluid, resulting in mesoscopic equations of motion for local mass, momentum and energy. The dissipative particles follow the dynamics of extended objects subject to forces including pressure and stresses. The stresses and heat fluxes are computed through constitutive relations, which lead to fluctuating Navier-Stokes hydrodynamics for the solvent. The present formulation is based on the use of statistical mechanical distribution functions and the connection with the underlying molecular description of the fluid is maintained through the pair-distribution function and the intermolecular potential. The main features of this DPD method are the adaptivity of the dissipative particles to the important length-scales of the problem and the explicit role played by the molecular pair-distribution function.
引用
收藏
页码:317 / 331
页数:15
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