A molecular-dynamics algorithm for mixed hard-core/continuous potentials
化学物理
2009-10-31 v1 计算物理
摘要
We present a new molecular-dynamics algorithm for integrating the equations of motion for a system of particles interacting with mixed continuous/impulsive forces. This method, which we call Impulsive Verlet, is constructed using operator splitting techniques similar to those that have been used successfully to generate a variety molecular-dynamics integrators. In numerical experiments, the Impulsive Verlet method is shown to be superior to previous methods with respect to stability and energy conservation in long simulations.
引用
@article{arxiv.physics/9904066,
title = {A molecular-dynamics algorithm for mixed hard-core/continuous potentials},
author = {Yao A. Houndonougbo and Brian B. Laird and Benedict J. Leimkuhler},
journal= {arXiv preprint arXiv:physics/9904066},
year = {2009}
}
备注
18 pages, 6 postscript figures, uses rotate.sty