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.
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.
该方法比较容易推广构造多原子相互作用体系解析势。
This method is easily extended to construct the analytic potential of four-atom interaction system.
应用原子激发态中一个电子所受到的作用势，借助电子运动的经典转折点，定义原子激发态的边界半径。
The boundary radii of excited atoms are defined by the classical turning point of the electron moving in an atom.
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.
碳纳米管镜像势的作用可以等效地用原子尺寸的理想金属球的镜像势来代替。
The image potential is effectively given by the image potential of an ideal metal sphere with atomic size.
其结果支持了光学模型势在奇异原子中应用的正确性，进而表明核子问的强相互作用力为吸引力。
The result coincides with the experimental date and supports greatly the optical model potential in the application of mesonic atom.
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.
对铜粒子团簇超高速碰撞铜无限大基体，本文选用了一种更可靠的原子间作用势和一种更合理的判定乱序原子方法。
For Cu cluster impacting an infinitely large Cu substrate, a reliable potential and a reasonable identification method of displaced atoms are adopted.
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.
模拟采用原子镶嵌势描述原子间作用，得到镍单晶薄膜的弹性模量，分析了拉伸过程中系统原子能量、应力变化和外荷载的关系。
The evolvement of atomic energy and arrangement of atoms in the model, the initiation and expansion of damage and the elastic modulus of monocrystalline nickel were obtained.
原子间相互作用势采用EAM势。
测得这种能量转移过程的速率系数和碰撞截面，可以获得原子之间以及原子与分子之间相互作用势的许多信息。
We can obtain a lot of information about interactional potential between atoms or atoms and molecules by measuring rate coefficients and cross sections.
另外，充氢能够增加块体非晶合金材料的原子平均最近邻距离和有效作用势深度。
In addition, the average first-neighbour distance and the depth of effective pair potential can be increased after hydrogen charging.
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.
这个动力学机理可以运用类似经典粒子在等效相互作用势中运动的来说明，并由原子布居数转移率的演化来证明。
The dynamic mechanism is demonstrated by performing a coordinate of classical particle moving in an effective potential field, and confirmed by the evolution of the atom population transferring ratio.
这个动力学机理可以运用类似经典粒子在等效相互作用势中运动的来说明，并由原子布居数转移率的演化来证明。
The dynamic mechanism is demonstrated by performing a coordinate of classical particle moving in an effective potential field, and confirmed by the evolution of the atom population transferring ratio.
应用推荐