A practical method to avoid bond crossing in two-dimensional dissipative particle dynamics simulations.

作者: Hong Liu , Yao-Hong Xue , Hu-Jun Qian , Zhong-Yuan Lu , Chia-Chung Sun

DOI: 10.1063/1.2953694

关键词:

摘要: Dissipative particle dynamics (DPD) simulation technique is an effective method targeted on mesoscopic simulations in which the interactions between particles are soft. As a result, it inevitably causes bond crossing and interpenetration particles. Here we develop practical based two-dimensional DPD model can extremely reduce possibility of crossing. A rigid core added to each by modifying form conservative force so that cannot penetrate other. Then adjusting spring constant bond, impose simple geometry constraint hardly take place. Furthermore, into account analytic polymerization successfully avoid severe problem during generation two dimensions. parabola fitting pressure number density shows our modified with small cores ...

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