Prospects of 3-dimensional nanoscale modeling of engineering materials

Applications of the Phase Field models to a realistic numerical simulation of the microstructure evolution in systems consisting of structural domains (orientation variants) produced by coherent phase transformations as well as in systems with magnetic and ferroelectric domains are discussed. These models can be used to simulate the mesoscale microstructures in polycrystals and to determine the structural, magnetic and electric response to the applied fields. The recent development of the Phase Field Microelasticity model demonstrates that this approach can be very effective for a mesoscale 3D simulation of the dislocation system under applied load as well.