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• W3203529203 abstract "We present a general method to compute the dislocation density tensor and its evolution from the configuration of a spatially periodic order parameter associated with a given crystal symmetry. The method is applied to a phase field crystal model (PFC) of a bcc lattice, and used to investigate the shrinkage of a dislocation loop. The dislocation velocity is determined by the dynamics of the order parameter, and we have shown that the general expression predicts the overdamped motion induced by a Peach-Koehler force with mobilities determined by equilibrium properties. We introduce an additional, configuration dependent, lattice distortion, defined such that the configurational stress is maintained in elastic equilibrium at all times. The resulting far-field stress field agrees very well with predictions from continuum elasticity, while the near-field to defect core is regularized by lattice discreteness. For the shrinkage of a dislocation loop, we find that the classical PFC model captures its evolution only qualitatively, while the process happens on a much faster time scale when the system is constrained to remain in mechanical equilibrium. The formulation provides a robust and accurate tracking of defect motion in a deformed crystalline lattice." @default.
• W3203529203 created "2021-10-11" @default.
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• W3203529203 date "2021-10-07" @default.
• W3203529203 modified "2023-09-27" @default.
• W3203529203 title "A phase field crystal theory of the kinematics and dynamics of dislocation lines." @default.
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