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Configurational temperature profile in confined fluids. I. Atomic fluid

Delhommelle, Jerome; Evans, Denis J.


Two configurational expressions for the temperature are applied to the calculation of temperature profiles within a confined atomic fluid in a narrow slit pore. The configurational temperatures profiles so obtained are compared to the kinetic temperature, calculated from the equipartition principle, in equilibrium (EMD), and nonequilibrium molecular dynamics (NEMD) simulations of planar Poiseuille flow. We show that one of the configurational expressions exhibits a system-size dependence which...[Show more]

CollectionsANU Research Publications
Date published: 2001-04-08
Type: Journal article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1355999


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