Defects in metals

Physical properties of defects in metals

Understanding the mechanisms of how radiation damage induced defects affect the mechanical properties of structural materials is a central problem in materials physics. This is a complex problem involving multiple processes at several length-scales and time-scales. Such problems are typically studied theoretically within a multi-scale modelling approach. The overall aim of the present proposal is to study the physical properties of defects, and in particular dislocations formed in irradiated materials, by both molecular dynamics modelling and high resolution TEM. Ab initio and empirical data is used to test and calibrate atomistic potentials for use in molecular dynamics calculations. The atomistic potentials are employed to study the structure, kinematics and dynamics of dislocations in selected irradiated materials. The theoretical predictions are compared and validated with the experimental observations.

Molecular dynamics study instances