Lees-Edwards boundary conditions
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Lees-Edwards boundary conditions are an adaptation of standard periodic boundary conditions for molecular dynamics simulations of shear flow [1]. These boundary conditions provide a shear by giving each periodic domain a velocity proportional to the domain's vertical position compared to the center domain. Lees-Edwards BCs typically generate a simple shear flow velocity profile where the local average velocity (within the center periodic domain) is directly proportion to the vertical position. (v_x is directly proportional to y)
References[edit]
Related reading
- Couette Flow and Shear Viscosity, in Denis J. Evans and Gary P. Morriss "Statistical Mechanics of Nonequilibrium Liquids" ANU E Press (2007) ISBN 9780521857918
- Sanjeev R. Rastogi and Norman J. Wagner "A parallel algorithm for Lees-Edwards boundary conditions", Parallel Computing 22 pp. 895-901 (1996)
- Hideki Kobayashi and Ryoichi Yamamoto "Implementation of Lees–Edwards periodic boundary conditions for direct numerical simulations of particle dispersions under shear flow", Journal of Chemical Physics 134 064110 (2011)