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Dissipative particle dynamics with energy conservation

J. Bonet Avalos and A. D. Mackie

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The stochastic differential equations for a model of dissipative particle dynamics with both total energy and total momentum conservation in the particle-particle interactions are presented. The corresponding Fokker-Planck equation for the evolution of the probability distribution for the system is deduced together with the corresponding fluctuation-dissipation theorems ensuring that the ab initio chosen equilibrium probability distribution for the relevant variables is a stationary solution. When energy conservation is included, the system can sustain temperature gradients and heat flow can be modeled.


PACS

47.11.+j Computational methods in fluid dynamics

05.70.Ln Nonequilibrium and irreversible thermodynamics

02.70.Ns Molecular dynamics and particle methods

Subjects

Fluid dynamics

Computational physics

Statistical physics and nonlinear systems

Dates

Issue 2 (15 October 1997)

Received 23 April 1997, accepted for publication 4 September 1997, in final form 4 September 1997



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