TY - JOUR
T1 - On the stability of boundary conditions for molecular dynamics
AU - Li, Xiantao
N1 - Copyright:
Copyright 2009 Elsevier B.V., All rights reserved.
PY - 2009/9/15
Y1 - 2009/9/15
N2 - We study the stability of boundary conditions for molecular dynamics simulations. A general stability criterion is established. We first consider a one-dimensional model with nearest neighbor interaction and multiple-neighbor interactions. We then generalize the results to more realistic models in 3D with nonlinear atomic interaction.
AB - We study the stability of boundary conditions for molecular dynamics simulations. A general stability criterion is established. We first consider a one-dimensional model with nearest neighbor interaction and multiple-neighbor interactions. We then generalize the results to more realistic models in 3D with nonlinear atomic interaction.
UR - http://www.scopus.com/inward/record.url?scp=68049096299&partnerID=8YFLogxK
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U2 - 10.1016/j.cam.2009.03.016
DO - 10.1016/j.cam.2009.03.016
M3 - Article
AN - SCOPUS:68049096299
VL - 231
SP - 493
EP - 505
JO - Journal of Computational and Applied Mathematics
JF - Journal of Computational and Applied Mathematics
SN - 0377-0427
IS - 2
ER -