μ2mech: a Software Package Combining Microstructure Modeling and MechanicalProperty Prediction

Abstract We have developed a graphical user interface (GUI) based package μ2mech to perform phase-field simulation for predicting mi- crostructure evolution. The package can take inputs from ab initio calculations and CALPHAD (Calculation of Phase Diagrams) tools for quantitative microstructure prediction. The package also provides a seamless connection to transfer output from the mesoscale phase field method to the microscale finite element analysis for mechanical property prediction. Such a multiscale sim- ulation package can facilitate microstructure-property correlation, one of the cornerstones in accelerated materials development within the integrated computational materials engineering (ICME) framework.