Transport and Helfand moments in the Lennard-Jones fluid. II. Thermal Conductivity

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dc.creatorViscardy, S.
dc.creatorServantie, J.
dc.creatorGaspard, P.
dc.date2007-01-11
dc.date.accessioned2026-07-07T08:01:03Z
dc.date.available2026-07-07T08:01:03Z
dc.descriptionThe thermal conductivity is calculated with the Helfand-moment method in the Lennard-Jones fluid near the triple point. The Helfand moment of thermal conductivity is here derived for molecular dynamics with periodic boundary conditions. Thermal conductivity is given by a generalized Einstein relation with this Helfand moment. We compute thermal conductivity by this new method and compare it with our own values obtained by the standard Green-Kubo method. The agreement is excellent.
dc.descriptionSubmitted to the Journal of Chemical Physics
dc.identifierhttps://arxiv.org/abs/cond-mat/0701254
dc.identifierhttp://arxiv.org/abs/cond-mat/0701254
dc.identifierJ. Chem. Phys. 126, 184513 (2007)
dc.identifierdoi:10.1063/1.2724821
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/128832
dc.subjectStatistical Mechanics
dc.subjectMesoscale and Nanoscale Physics
dc.titleTransport and Helfand moments in the Lennard-Jones fluid. II. Thermal Conductivity
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