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COMPUTATIONAL MATERIALS SCIENCE
Volume 24, Issue 4, Pages 421-429Publisher
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DOI: 10.1016/S0927-0256(01)00263-4
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A scheme for establishing boundary conditions in molecular-dynamics simulations that prevent pressure wave reflection out of the simulation volume is formulated. The algorithm is easily implemented for a one-dimensional geometry. Its efficiency is tested for compressive waves in Cu. (C) 2002 Elsevier Science B.V. All rights reserved.
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