In this thesis, molecular dynamics simulations based on the Brenner-LJ joint potential were performed to study the interaction of atoms. At first, the basic concept and theory about molecular dynamics are introduced.例句翻译_写作句库

In this thesis, molecular dynamics simulations based on the Brenner-LJ joint potential were performed to study the interaction of atoms. At first, the basic concept and theory about molecular dynamics are introduced.

1.In this thesis, molecular dynamics simulations based on the Brenner-LJ joint potential were performed to study the interaction of atoms. At first, the basic concept and theory about molecular dynamics are introduced.

本文基于分子动力学方法并选用Brenner-LJ拟合势函数描述碳原子间的相互作用,介绍了分子动力学模拟的基本概念和基本理论,重点研究了势函数的选取,求解运动方程的算法,以及所使用的边界条件和初始条件等。收藏指正

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