Allen, Michael P. and Schmid, Friederike (2007) A thermostat for molecular dynamics of complex fluids. In: Symposium on Progress and Future Prospects in Molecular Dynamics Simulation, Keio Univ, Yokohama, Japan, 06-08 Jun 2006. Published in: Molecular Simulation, Volume 33 (Number 1-2). pp. 21-26.

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Abstract

A thermostat of the Nose-Hoover type, based on relative velocities and a local definition of the temperature, is presented. The thermostat is momentum-conserving and Galilean-invariant, which should make it suitable for use in Dissipative Particle Dynamics (DPD) simulations, as well as nonequilibrium molecular dynamics simulations.

Item Type:	Conference Item (Paper)
Subjects:	Q Science > QD Chemistry Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Journal or Publication Title:	Molecular Simulation
Publisher:	Taylor & Francis Inc.
ISSN:	0892-7022
Official Date:	2007
Dates:	Date Date Type 2007 Published 14 October 2009 Available October 2006 Accepted July 2006 Submitted
Volume:	Volume 33
Number:	Number 1-2
Number of Pages:	6
Page Range:	pp. 21-26
Identification Number:	10.1080/08927020601052856
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Conference Paper Type:	Paper
Title of Event:	Symposium on Progress and Future Prospects in Molecular Dynamics Simulation
Type of Event:	Other
Location of Event:	Keio Univ, Yokohama, Japan
Date(s) of Event:	06-08 Jun 2006
URI:	http://wrap.warwick.ac.uk/id/eprint/32307

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