期刊
COMPUTER PHYSICS COMMUNICATIONS
卷 147, 期 1-2, 页码 670-673出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0010-4655(02)00371-5
关键词
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We present a general scheme to couple microscopic molecular-dynamics simulations to macroscopic finite-difference simulations, running concurrently in a particle domain and an adjacent continuum domain, respectively. The coupling is based on mutual flux exchange across the domain boundary. (C) 2002 Elsevier Science B.V. All rights reserved.
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