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Stability of Atomic Simulations with Matching Boundary Conditions

Published online by Cambridge University Press:  03 June 2015

Shaoqiang Tang  and
Songsong Ji
Shaoqiang Tang*
Affiliation:
HEDPS, CAPT and LTCS, College of Engineering, Peking University, Beijing 100871, China
Songsong Ji*
Affiliation:
HEDPS, CAPT and LTCS, College of Engineering, Peking University, Beijing 100871, China
*
Corresponding author. Email: maotang@pku.edu.cn
Email: songsong.0211@163.com
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Abstract

We explore the stability of matching boundary conditions in one space dimension, which were proposed recently for atomic simulations (Wang and Tang, Int. J. Numer. Mech. Eng., 93 (2013), pp. 1255–1285). For a finite segment of the linear harmonic chain, we construct explicit energy functionals that decay along with time. For a nonlinear atomic chain with its nonlinearity vanished around the boundaries, an energy functional is constructed for the first order matching boundary condition. Numerical verifications are also presented.

Keywords

70-0865L9934B60Stabilitymatching boundary conditionatomic simulation
Type
Research Article
Information
Advances in Applied Mathematics and Mechanics , Volume 6 , Issue 5 , October 2014 , pp. 539 - 551
Copyright
Copyright © Global-Science Press 2014

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