Understanding Dislocation Motion and Plasticity via First Principles Simulations Towards Manufacturing of High Ductility Magnesium Alloys

The primary goal of this proposed research is to lower the energy barrier to active <c+a>  dislocations in Mg alloys, such that the density of these hard dislocations during plastic deformation can be significantly increased and their ductility can be dramatically enhanced. To achieve this goal, high-throughput-screening modeling and experimental studies will be performed to search for low-cost alloying elements which are able to lower the energy barrier to dislocation nucleation and glide.