Lead Chief Investigator

Rui Yang Department of Computer Science, Faculty of Engineering, Australian National University

Project Title

Theoretical Studies of Grain Boundary Engineering in Alloys

Brief Description for General Publications

The properties of modern materials, ranging from advanced engineering alloys to nanocrystalline and composite materials are critically dependent on the properties of internal interfaces such as grain and interphase boundaries as the trend to structural refinement accelerates. This project will develop a novel multi-scale computational platform to thoroughly explore at the atomic and electronic levels, the composition, structure, structural stability and cohesion of embedded interfaces. Our goal is to propose the comprehensive component and structure design to improve the interfacial properties that can be used in a range of advanced engineering alloys.