• 本文分子动力学方法研究应变率下晶体材料力学行为

    Molecular dynamics is used to investigate the mechanical behaviour of crystal material at high strain rates in this paper.

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  • 分子动力学方法研究瞬时加热振动自由度后能量弛豫过程

    Energy relaxation processes initiated by suddenly heating of the vibrational degrees of freedom were studied with molecular dynamical method.

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  • 分子动力学方法模拟计算二维无序扎系统中磁通的运动

    Using molecular dynamic simulations, this paper studies the vortices motion in random pinning superconductors.

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  • 分子动力学方法可以有效地研究凝聚介质激波压缩许多领域得到了广泛

    The shock compression of condensed matter can be effectively dealt with by molecular dynamics, and has been applied to many fields of science.

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  • 用分子动力学方法和弹性动力学方法研究纳米铜线动力屈曲,并两种方法进行比较。

    This study focuses on the dynamic buckling of a nano crystal copper wire under compression stress wave.

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  • 分子动力学方法模拟空位金刚石(0 0 1)表面扩散过程研究了温度空位扩散的影响

    The diffusion process of the vacancy near diamond (001) surface and the effects of temperature on the vacancy diffusion were investigated by molecular dynamics simulation.

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  • 分子动力学模拟方法计算了氟代硼酸锂玻璃电导率

    The conductivities in Fluoroborate glasses were calculated by molecular dynamics simulation method at near and higher than glass transition temperatures.

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  • 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。

    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.

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  • 本文主要介绍动力学代数方法构造多原子分子势能面的理论方法及其不同分子体系中的应

    In this paper, the theory of constructing PES of polyatomic molecules by dynamic Lie algebraic method is presented, and its application in different molecular systems is introduced.

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  • 介绍了分子动力学模拟热力学积分法相结合 ,模拟蛋白质绝对结合自由方法

    Molecular dynamics simulation and thermodynamic integration method were used to calculate the absolute binding free energy of the protein- ligand complex.

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  • 本文分子动力学模拟方法计算双原子分子晶体振动弛豫速率

    In this paper we have calculated the vibrational relaxation rate by molecular dynamics simulation for homonuclear diatomic molecular crystal.

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  • 介绍用分子动力学模拟方法研究固体体相结构,表面问题界面问题以及薄膜形成过程等方面研究成果。

    It also summarizes MD simulation in the studies of solid bulk characters, surface problem, interface problem and the progress of thin film formation etc.

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  • 介绍用分子动力学模拟方法研究固体体相结构,表面问题界面问题以及薄膜形成过程等方面研究成果。

    It also summarizes MD simulation in the studies of solid bulk characters, surface problem, interface problem and the progress of thin film formation etc.

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