Abstract Interatomic potentials for V-M (M = Cu, Mo, Ti) binary systems have been developed within the framework of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials reproduce a wide range of fundamental material properties such as thermodynamic and structural properties of compound and solution phases in reasonable agreement with experimental data or CALPHAD and first-principles calculations. The reasonable reproduction of material properties implies that the potentials can be combined with those of V-H and M-H systems for a permeability study of hydrogen in vanadium alloys or can be extended for further development of V-containing ternary system potentials.

中文翻译：

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VM (M = Cu, Mo, Ti) 二元系统的第二近邻修正嵌入原子法原子间势

摘要 VM (M = Cu, Mo, Ti) 二元系统的原子间势是在第二近邻修正嵌入原子方法 (2NN MEAM) 形式主义的框架内开发的。电势再现了广泛的基本材料特性，例如化合物和溶液相的热力学和结构特性，与实验数据或 CALPHAD 和第一性原理计算合理一致。材料特性的合理再现意味着可以将这些电位与 VH 和 MH 系统的电位相结合，用于钒合金中氢的渗透性研究，或者可以扩展以进一步开发含 V 的三元系统电位。