High-performance multiphase-field simulations of solid-state phase transformations using Pace3D

Abstract

Computational materials science contributes to the accelerated development of new or optimized materials. The phase-field method has established itself as a powerful tool to describe the temporal microstructure evolution during solidphase transformations. The use of high performance computers allows studying the evolution of large, three-dimensional microstructures incorporating phase- and grain boundary specific behaviors as well as phase transitions. This allows a more realistic representation of the phenomena investigated and lead to more reliable predictions of the microstructural evolution. In this work, current applications of the phase-field method are presented using the Pace3D software package and applied at the ForHLR II supercomputer. Additionally, the scaling behavior is shown when using up to 5041 cores.