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21 January 2025
 
  » arxiv » cond-mat/0701254

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Transport and Helfand moments in the Lennard-Jones fluid. II. Thermal Conductivity
S. Viscardy ; J. Servantie ; P. Gaspard ;
Date 11 Jan 2007
Subject Statistical Mechanics; Mesoscopic Systems and Quantum Hall Effect
AbstractThe 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.
Source arXiv, cond-mat/0701254
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