Thermostat with a local heat-bath coupling for exact energy conservation in dissipative particle dynamics

Lars Pastewka, David Kauzlarić, Andreas Greiner, and Jan G. Korvink
Phys. Rev. E 73, 037701 – Published 3 March 2006

Abstract

We present a Markov process which models particle hydrodynamics with conservation of the first three momenta. This is achieved by extending the [Peters, Europhys. Lett. 66, 311 (2004)] and [Lowe, Europhys. Lett. 47, 145 (1999)] method to incorporate energy conservation. The equivalence of the energy conserving Peters method and dissipative particle dynamics with energy conservation (DPDE) in the limit of a vanishing time step is shown. Simple numerical experiments clearly demonstrate the applicability of the methods. This overcomes current limitations of DPDE in the study of complex fluids in the (N,V,E) ensemble.

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  • Received 17 October 2005

DOI:https://doi.org/10.1103/PhysRevE.73.037701

©2006 American Physical Society

Authors & Affiliations

Lars Pastewka*, David Kauzlarić, Andreas Greiner, and Jan G. Korvink

  • Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg, Germany

  • *Present address: Fraunhofer Institute for Mechanics of Materials, Wöhlerstr. 11, 79108 Freiburg, Germany. Email address: pas@iwm.fhg.de

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Vol. 73, Iss. 3 — March 2006

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