Transport and Helfand moments in the Lennard-Jones fluid. II. Thermal Conductivity
arXiv:cond-mat/0701254 · doi:10.1063/1.2724821
Abstract
The 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.
arXiv commentSubmitted to the Journal of Chemical Physics
References in corpus (4)
Cited by in corpus (9)
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