Viscosity in molecular dynamics with periodic boundary conditions.

نویسندگان

  • S Viscardy
  • P Gaspard
چکیده

We report a study of viscosity by the method of Helfand moment in systems with periodic boundary conditions. We propose a new definition of Helfand moment which takes into account the minimum image convention used in molecular dynamics with periodic boundary conditions. Our Helfand-moment method is equivalent to the method based on the Green-Kubo formula and is not affected by ambiguities due to the periodic boundary conditions. Moreover, in hard-ball systems, our method is equivalent to that developed by Alder, Gass, and Wainwright [J. Chem. Phys. 53, 3813 (1970)]. We apply and verify our method in a fluid composed of N> or =2 hard disks in elastic collisions. We show that the viscosity coefficients already take values in good agreement with Enskog's theory for N=2 hard disks in a hexagonal geometry.

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عنوان ژورنال:
  • Physical review. E, Statistical, nonlinear, and soft matter physics

دوره 68 4 Pt 1  شماره 

صفحات  -

تاریخ انتشار 2003