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Elastic interactions in phase-field crystal models: numerics and postprocessing

Bernal, Francisco; Backofen, R.; Voigt, A.

International Journal of Materials Research, 101(4) (2010), 467-472

In this paper, numerical and implementation aspects of the phase-field crystal model with elastic interactions are addressed. This model leads to a time-dependent, sixth-order system of differential equations which yields a continuous density field, from which individual atom positions can be extracted and tracked in time. We solve the system using high-order finite elements, and reconstruct the elastic properties of the crystal from the atomic displacements with a meshless interpolation scheme. Numerical simulations are performed of benchmark experiments, which include deformation and dislocation dynamics.