Visualization of deformation in atomistic simulation

A general and simple method is developed of characterizing deformation in an atomistic model by simulations. In the method, the deformation index is defined as the maximum relative displacement of an atom to its nearest neighbors during deformation. The deformation index can be applied to quantitatively visualize lattice defects such as dislocations and stacking faults during twin or slip deformation in a single image. As an example, the cracking processes of nickel and iron are presented and analyzed by the method.