Strain-stress relationship and dislocation evolution of W-Cu bilayers from a constructed n-body W-Cu potential

An n-body W-Cu potential is constructed under the framework of the embedded-atom method by means of a proposed function of the cross potential. This W-Cu potential is realistic to reproduce mechanical property and structural stability of WCu solid solutions within the entire composition range, and has better performances than the three W-Cu potentials already published in the literature. Based on this W-Cu potential, molecular dynamics simulation is conducted to reveal the mechanical property and dislocation evolution of the bilayer structure between pure W and W_0.7Cu_0.3 solid solution. It is found that the formation of the interface improves the strength of the W_0.7Cu_0.3 solid solutions along tensile loading perpendicular to the interface, as the interface impedes the evolution of the dislocation lines from the W_0.7Cu_0.3 solid solutions to the W part. Simulation also reveals that the interface has an important effect to significantly reduce the tensile strength and critical strain of W along the tensile loading parallel to the interface, which is intrinsically due to the slip of the edge or screw dislocations at low strains as a result of the lattice mismatch.