Author:
Du Xiaoming,Wang Xue,Liu Jide
Abstract
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.
Subject
Computer Science Applications,History,Education
Reference7 articles.
1. Powder metallurgy processing of thermal management materials for microelectronic applications;German;Int. J. Powder Metall.,1994
2. Ideal tensile strength and shear strength of ZrO2 (111)/Ni (111) ceramic-metal Interface: A first principle study;Guo;Mater. Design,2016
3. The tensile properties and fracture of the Ni/Cr2O3 interface: First principles simulation;Liu;Comp. Mater. Sci.,2014
4. On the anisotropic shear resistance of hard transition metal nitrides TMN (TM=Ti, Zr, Hf);Zhang;Appl. Phys. Lett.,2009
5. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism;Vanderbilt;Phys. Rev. B,1990