A new W–Cu potential has been established within the framework of the embedded-atom method (EAM) through the additional fitting of the structural energy differences between FCC and BCC structures of W and Cu. Based on this new potential, molecular dynamics simulations reveals that the lattice parameters of both BCC and FCC W–Cu solid solutions are bigger than those from the Vegard's law, and BCC and FCC W_100-xCu_x solid solutions are thermodynamically more stable when 0 ≤ x ≤ 80 and 80 < x ≤ 100, respectively. Simulations also indicate that the solution of Cu in W would considerably decrease tensile strength and ductility of BCC W and a similar result could be obtained for the solution of W in FCC Cu. Furthermore, the derived lattice parameters, phase stability, heat capacity, and mechanical properties of W_100-xCu_x solid solutions from the new potential are in accordance with other results from experiments, density functional calculation, and thermodynamic model in the literature.

通过额外拟合 W 和 Cu 的 FCC 和 BCC 结构之间的结构能量差异，在嵌入原子方法 (EAM) 的框架内建立了新的 W-Cu 电位。基于这种新的潜力，分子动力学模拟表明 BCC 和 FCC W-Cu 固溶体的晶格参数大于 Vegard 定律的晶格参数，并且 BCC 和 FCC W _{100- x} Cu _x固溶体在热力学上更稳定0 ≤ x ≤ 80 和 80 <  x 分别≤ 100。模拟还表明，Cu 在 W 中的溶液会显着降低 BCC W 的拉伸强度和延展性，并且 W 在 FCC Cu 中的溶液可以获得类似的结果。此外，从新势中推导出的W _{100- x} Cu _x固溶体的晶格参数、相稳定性、热容和机械性能与文献中的实验、密度泛函计算和热力学模型的其他结果一致。