Computer Simulation Methods
Density-functional theory, classical molecular dynamics and kinetic Monte Carlo simulations are widely used to study the properties of defects in solids with computer simulations, see e.g. Refs., . Simulating jamming of hard spheres of different sizes and/or in containers with non-commeasurable sizes using the Lubachevsky-Stillinger algorithm can be an effective techniques for demonstrating some types of crystallographic defects.
Read more about this topic: Crystallographic Defect
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