Nanoscale phase field microelasticity theory of dislocations: model and 3D simulations Original Research Article

The first Phase Field model of evolution of a multi-dislocation system in elastically anisotropic crystal under applied stress is formulated. The model is a modification and extension of our Phase Field Microelasticity approach to the theory of coherent phase transformations. The long-range strain-induced interaction of individual dislocations is calculated exactly and is explicitly incorporated in the Phase Field formalism. It also automatically takes into account the effects of “short-range interactions”, such as multiplication and annihilation of dislocations and a formation of various metastable microstructures involving dislocations and defects. The proposed 3-dimensional Phase Field model of dislocations does not impose a priori constraints on possible dislocation structures or their evolution paths. Examples of simulation of the FCC 3D system under applied stress are considered.