| Abstract Scope |
First principles-based atomistic computation have played great roles in understanding and prediction of new materials. However, there are challenges in applying them to study disordered materials and the disordering transition of materials. In this presentation, we will present some of our recent studies of applying atomistic modeling to study disordered materials. Several critical issues will be addressed: how to computationally analyze, illustrate, and characterize disordered materials and disorder transitions? These computational analyses and insights will be highly relevant and applicable to other materials systems or phenomena, such as high-entropy materials, amorphous materials, interfaces, crystal growth, and complex structures. |