Issue |
Europhys. Lett.
Volume 40, Number 2, October II 1997
|
|
---|---|---|
Page(s) | 141 - 146 | |
Section | Classical areas of phenomenology | |
DOI | https://doi.org/10.1209/epl/i1997-00436-6 | |
Published online | 01 September 2002 |
Dissipative particle dynamics with energy conservation
Departament d'Enginyeria Química, ETSEQ,
Universitat Rovira i Virgili, Carretera de Salou s/n, 43006
Tarragona, Spain
Received:
23
April
1997
Accepted:
4
September
1997
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 thermodynamics, irreversible processes / 02.70.Ns – Molecular dynamics and particle methods
© EDP Sciences, 1997
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