Transport and Helfand moments in the Lennard-Jones fluid. II. Thermal conductivity |
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| Authors: | Viscardy S Servantie J Gaspard P |
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| Affiliation: | Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles, Campus Plaine, Code Postal 231, B-1050 Brussels, Belgium. |
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| 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. The authors compute thermal conductivity by this new method and compare it with their own values obtained by the standard Green-Kubo method. The agreement is excellent. |
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