NDLI: Transport and Helfand moments in the Lennard-Jones fluid. I. Shear viscosity.

Content Provider	Semantic Scholar
Author	Viscardy, Sébastien Servantie, J. Gaspard, Pierre
Copyright Year	2007
Abstract	The authors propose a new method, the Helfand-moment method, to compute the shear viscosity by equilibrium molecular dynamics in periodic systems. In this method, the shear viscosity is written as an Einstein-type relation in terms of the variance of the so-called Helfand moment. This quantity is modified in order to satisfy systems with periodic boundary conditions usually considered in molecular dynamics. They calculate the shear viscosity in the Lennard-Jones fluid near the triple point thanks to this new technique. They show that the results of the Helfand-moment method are in excellent agreement with the results of the standard Green-Kubo method.
Starting Page	184512
Ending Page	184512
Page Count	1
File Format	PDF HTM / HTML
DOI	10.1063/1.2724820
PubMed reference number	17508816
Journal	Medline
Volume Number	126
Issue Number	18
Alternate Webpage(s)	https://arxiv.org/pdf/cond-mat/0701253v1.pdf
Alternate Webpage(s)	https://doi.org/10.1063/1.2724820
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. I. Shear viscosity.