Abstract

A new method of molecular statics based on independent displacements of atoms converging to an equilibrium state is proposed. It is analogous to the molecular dynamics method and thus has similar advantages in terms of the system size which can be simulated, as well as the utilization of parallel computation. At the same time, it allows the study of fracture, crack nucleation and propagation, etc. without the computer time constraints associated with time steps in molecular dynamics. The method is demonstrated for a 2D crystal with one deficiency.

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