Stability of Atomic Simulations with Matching Boundary Conditions

Stability of Atomic Simulations with Matching Boundary Conditions

Year:    2014

Author:    Shaoqiang Tang, Songsong Ji

Advances in Applied Mathematics and Mechanics, Vol. 6 (2014), Iss. 5 : pp. 539–551

Abstract

We explore the stability of matching boundary conditions in one space dimension, which was 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.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/aamm.2013.m360

Advances in Applied Mathematics and Mechanics, Vol. 6 (2014), Iss. 5 : pp. 539–551

Published online:    2014-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    13

Keywords:    Stability matching boundary condition atomic simulation.

Author Details

Shaoqiang Tang

Songsong Ji

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