Skip navigation
Skip navigation

Correspondence between configurational temperature and molecular kinetic temperature thermostats

Delhommelle, Jerome; Evans, Denis J.

Description

Molecular fluids undergoing shear flow are often modeled using a homogeneous nonequilibrium molecular dynamics algorithm. To reach a steady state, this method must be used in conjunction with a thermostating mechanism which duplicates the heat dissipation in the experimental setup (e.g., by conduction to the shearing boundaries). The most commonly used type of thermostat involves fixing the center of mass kinetic (c.m.) temperature. Though perfectly valid, this approach does not seem to be the...[Show more]

CollectionsANU Research Publications
Date published: 2002-10-01
Type: Journal article
URI: http://hdl.handle.net/1885/15957
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1503771

Download

File Description SizeFormat Image
01_Delhommelle_Correspondence_between_2002.pdf400.54 kBAdobe PDFThumbnail


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  12 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator