NDLI: Transport and Helfand moments in the Lennard-Jones fluid. II. Thermal conductivity.

Content Provider	Semantic Scholar
Author	Viscardy, Sébastien Servantie, James Gaspard, Pierre
Copyright Year	2007
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.
Starting Page	184513
Ending Page	184513
Page Count	1
File Format	PDF HTM / HTML
DOI	10.1063/1.2724821
PubMed reference number	17508817
Journal	Medline
Volume Number	126
Issue Number	18
Alternate Webpage(s)	http://homepages.ulb.ac.be/~gaspard/VSG.II.JCP.07.pdf
Alternate Webpage(s)	http://homepages.ulb.ac.be/~gaspard/VSG.I.JCP.07.pdf
Alternate Webpage(s)	https://arxiv.org/pdf/cond-mat/0701254v1.pdf
Alternate Webpage(s)	http://arxiv.org/pdf/cond-mat/0701254
Journal	The Journal of chemical physics
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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