Dynamic Relaxation and New Periodic Symmetry Techniques for Simulating Atomistic Dislocation Models Subjected to Two-Dimensional External Forces

The movement and interactions of dislocations, under the potential energy and the external driving forces, affect the performance of materials in various applications. The Dynamic Relaxation (DR) technique, the Embedded Atom method (EAM) potential function and a newly developed periodic symmetry method are combined and expanded for simulations of the relaxation of atomistic models with dislocation defects subjected to two-dimensional external …