Lees-Edwards boundary conditions: Difference between revisions
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'''Lees-Edwards boundary conditions''' are an adaptation of standard [[periodic boundary conditions]] for [[Molecular dynamics | molecular dynamics simulations]] of [[Stress |shear]] flow <ref>[http://dx.doi.org/10.1088/0022-3719/5/15/006 A. W. Lees and S. F. Edwards "The computer study of transport processes under extreme conditions", Journal of Physics C: Solid State Physics '''5''' pp. 1921- (1972)]</ref>. | '''Lees-Edwards boundary conditions''' are an adaptation of standard [[periodic boundary conditions]] for [[Molecular dynamics | molecular dynamics simulations]] of [[Stress |shear]] flow <ref>[http://dx.doi.org/10.1088/0022-3719/5/15/006 A. W. Lees and S. F. Edwards "The computer study of transport processes under extreme conditions", Journal of Physics C: Solid State Physics '''5''' pp. 1921- (1972)]</ref>. 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== | ==References== | ||
Latest revision as of 18:59, 30 August 2012
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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)