期刊
COMPUTER PHYSICS COMMUNICATIONS
卷 188, 期 -, 页码 76-81出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cpc.2014.11.006
关键词
Viscous forces; Stochastic forces; Fluctuation-dissipation theorem; Dissipative particle dynamics
资金
- Universidad Autonoma de San Luis Potosi
The role of viscous forces coupled with Brownian forces in momentum-conserving computer simulations is studied here in the context of their contribution to the total average pressure of a simple fluid as derived from the virial theorem, in comparison with the contribution of the conservative force to the total pressure. The specific mesoscopic model used is the one known as dissipative particle dynamics, although our conclusions apply to similar models that obey the fluctuation dissipation theorem for short range interactions and have velocity-dependent viscous forces. We find that the average contribution of the random and dissipative forces to the pressure is negligible for long simulations, provided these forces are appropriately coupled and when the finite time step used in the integration of the equation of motion is not too small. Finally, we study the properties of the fluid when the random force is made equal to zero and find that the system freezes as a result of the competition of the dissipative and conservative forces. (C) 2014 Elsevier B.V. All rights reserved.
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