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Article overview
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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 | 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. | Source: | arXiv, cond-mat/0701254 | Services: | Forum | Review | PDF | Favorites |
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