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

W Wei and L Chen and HR Gong and JL Fan, JOURNAL OF PHYSICS-CONDENSED MATTER, 31, 305002 (2019).

DOI: 10.1088/1361-648X/ab1a8a

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 W0.7Cu0.3 solid solution. It is found that the formation of the interface improves the strength of the W0.7Cu0.3 solid solutions along tensile loading perpendicular to the interface, as the interface impedes the evolution of the dislocation lines from the W0.7Cu0.3 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.

Return to Publications page