The equilibrium of a velocity-Verlet type algorithm for DPD with finite time steps

被引:32
作者
Gibson, JB [1 ]
Chen, K
机构
[1] Univ Liverpool, Dept Math Sci, Liverpool L69 3BX, Merseyside, England
[2] Shell Global Solut, Chester CH1 3SH, Cheshire, England
来源
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1999年 / 10卷 / 01期
关键词
dissipative particle dynamics; particle simulation; finite difference methods; velocity-Verlet;
D O I
10.1142/S0129183199000176
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Dissipative particle dynamics (DPD) originated as a tool for performing fluid dynamics simulations of complex fluids and amongst other things has been used to simulate dilute polymer solutions. The technique employed an Euler time-stepping technique up until recently, when a velocity-Verlet type algorithm was proposed. This paper presents a more accurate velocity-Verlet and analyses the equilibrium properties of this new technique for finite time-steps. An expression for the temperature in terms of the basic DPD parameters is derived for this scheme.
引用
收藏
页码:241 / 261
页数:21
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