铝原子间的相互作用采用嵌入原子法(EAM)多体势计算。
An embedded atom method (EAM) potential is employed for computing atomic interaction in aluminum.
计算结果表明该重叠积分可以用来表示稀有气体原子间的排斥势。
Their results show that interatomic repulsive of the rare gas can be expressed by the overlap integrals.
在分子动力学模拟中，采用内嵌原子势描述纳米铜线的原子间相互作用。
The interatomic interactions of molecular dynamics model are described by embedded atom potential given by Doyama et al.
因此，在材料的静力学、动力学以及统计力学的研究中，各种各样等效的原子间相互作用势仍然起着重要的作用。
Therefore the effective inter atomic potentials are widely used and playing an important role in the investigation of the statics, dynamics and statistical mechanics for various materials.
原子间相互作用势采用EAM势。
计算表明，陈氏三维晶格反演比CGE方法具有更快的收敛性，容易获得较高精度的原子间相互作用势。
The calculated results indicate that Chen's lattice inversion method was exact for radial interatomic potential of alkali metals with much faster convergence than CGE method.
上述这些宏观性质，可以从原子分子结构，辐射跃迁几率和原子间相互作用势等基本参数求出。
All of the above macroscopic properties can be calculated from the basic informations about the atomic and molecular structures, radiation transition probabilities and interatomic potentials.
利用原子间相互作用势以及能量等效原理，得到了基于广义连续介质模型的单壁碳纳米管的本构关系。
Based on the established relationship between the atomic potential and the macroscopic continuum strain energy density, analytical expressions for the tangent modulus tensors are derived.
在合理选择原子间相互作用势计算方法的基础上，改进了原子迁移激活能的计算方法。
A great improvement was made on calculation of the activation barriers for the surface atoms diffusion.
在合理选择原子间相互作用势计算方法的基础上，改进了原子迁移激活能的计算方法。
A great improvement was made on calculation of the activation barriers for the surface atoms diffusion.
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