Tensile and Fracture Properties of the Ag/W Composite Interface from First-Principle Calculation

Abstract

As an important electrical contact composite, the interface bonding properties of Ag/W composite directly affect its functional properties and subsequent processing properties. In this paper, the mechanical properties and the adhesion strength of Ag(111)/W(100), Ag (111)/W(110), and Ag(111)/W(111) models are investigated by means of first-principles calculations. The Stress-strain curve reveals that the Ag/W composite interface structures have good tensile mechanical properties. The charge density shows that charge transfer occurs near the interface, which is the main reason that affects the fracture performance, and it occurs mainly between the first and second layers on the Ag side. The results of adhesion work and interface energy cannot be used to indicate the interfacial tensile strength.