Computer simulation of crack propagation: lattice trapping

Abstract
Lattice trapping is an unexpected result obtained in a number of atomistic treatments of crack propagation. Molecular dynamic simulation was used in the present investigation to study crack behaviour. Using a large two-dimensional sample of about 11000 atoms and a relatively long-range Lennard-Jones potential, lattice trapping is found to be a negligible effect. Sample size effects and the non-linearity of the modulus were studied and found not to affect the lattice trapping result. Negligible lattice trapping seems to be a consequence of the range of the potential; long-range continuous potentials produce negligible lattice trapping.

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