Application of Tight-Binding Recursion Method to Lattice Defects in Metals and Alloys

Abstract

It is well-known that the macroscopic mechanical properties of metals and alloys are closely related to the microscopic dislocation motion and grain boundary properties. There have been a large amount of experimental and theoretical works on the dislocations and grain boundary properties in metals and alloys. However, fundamental understandings, from the atomistic point of view, have still been quite limited. Our purpose is, therefore, to investigate the fundamental properties of dislocations and grain boundaries in metals and alloys on the basis of a microscopic electronic theory.