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Configurational temperature thermostat for fluids undergoing shear flow: application to liquid chlorine

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Delhommelle, Jerome; Evans, Denis

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Non-equilibrium molecular dynamics (NEMD) simulations play a major role in characterizing the rheological properties of fluids undergoing shear flow. However, all previous studies of flows in molecular fluids either use an 'atomic' thermostat which makes

dc.contributor.authorDelhommelle, Jerome
dc.contributor.authorEvans, Denis
dc.date.accessioned2015-12-13T23:26:10Z
dc.identifier.issn0026-8976
dc.identifier.urihttp://hdl.handle.net/1885/92718
dc.description.abstractNon-equilibrium molecular dynamics (NEMD) simulations play a major role in characterizing the rheological properties of fluids undergoing shear flow. However, all previous studies of flows in molecular fluids either use an 'atomic' thermostat which makes
dc.publisherTaylor & Francis Group
dc.sourceMolecular Physics
dc.subjectKeywords: Degrees of freedom (mechanics); Heat conduction; Heat convection; Heat radiation; Kinetic energy; Liquids; Molecular dynamics; Rheology; Shear flow; Thermostats; Couette flow; Shear rates; Chlorine
dc.titleConfigurational temperature thermostat for fluids undergoing shear flow: application to liquid chlorine
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume99
dc.date.issued2001
local.identifier.absfor030602 - Chemical Thermodynamics and Energetics
local.identifier.ariespublicationMigratedxPub25913
local.type.statusPublished Version
local.contributor.affiliationDelhommelle, Jerome, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationEvans, Denis, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue21
local.bibliographicCitation.startpage1825
local.bibliographicCitation.lastpage1829
local.identifier.doi10.1080/00268970110075158
dc.date.updated2015-12-12T09:45:40Z
local.identifier.scopusID2-s2.0-0035841890
CollectionsANU Research Publications

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