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Transport and Helfand moments in the Lennard-Jones fluid. I. Shear viscosity | | S. Viscardy
; J. Servantie
; P. Gaspard
; | | Date: |
11 Jan 2007 | | Subject: | Soft Condensed Matter; Mesoscopic Systems and Quantum Hall Effect | | Abstract: | We 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-like 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. We calculate the shear viscosity in the Lennard-Jones fluid near the triple point thanks to this new technique. We show that the results of the Helfand-moment method are in excellent agreement with the results of the standard Green-Kubo method. | | Source: | arXiv, cond-mat/0701253 | | Services: | Forum | Review | PDF | Favorites | |
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