• A simulation method of molecular dynamics is introduced to simulate the interface crack initiation, from which the correlations between the interface stress and the interface fracture are acquired.

    采用分子动力学模拟方法,可以结合材料界面过程进行模拟,从而获得结合材料界面应力界面破坏之间关系

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  • In molecular dynamics simulation, a quite simplified model was used, but the simulation for the process of interface fracture also helps to acquire some rules about bi-material interface fracture.

    虽然分子动力学模拟中采用了高度简化界面模型对界面破坏过程模拟,仍可以帮助人们获得结合材料界面破坏过程的规律性认识。

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  • In the present paper a study on thermal conductivity of the quasi-ordered liquid layer on a solid surface was performed by molecular dynamics simulation.

    本文分子动力学模拟方法研究了近固体壁面拟有序液体边界层及其导热特性。

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  • A new method for the acceleration of MD (molecular dynamics) simulation of ion implantation into crystalline targets is presented.

    提出用于分子动力学(MD)模拟晶体材料中离子注入加速算法

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  • Using Langevin molecular dynamics simulation, we investigate numerically the depinning dynamics of fluid monolayer at a rough solid boundary.

    本文利用朗之万分子动力学数值研究粗糙固体边界层表面单层流体脱钉特性。

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  • Therefore, it is shown that shell-model molecular dynamics simulation at constant pressure indeed provides a useful tool for studying the melting temperatures of other materials under high pressures.

    因此常压壳层模型分子动力学方法研究物质熔化提供了一个很好的方法

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  • Therefore, it is shown that shell-model molecular dynamics simulation at constant pressure indeed provides a useful tool for studying the melting temperatures of other materials under high pressures.

    因此常压壳层模型分子动力学方法研究物质熔化提供了一个很好的方法

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