$\mu$2mech: a Software Package Combining Microstructure Modeling and Mechanical Property Prediction

TL;DR

The paper introduces $u2mech, a GUI-based software that integrates microstructure modeling and mechanical property prediction through multiscale simulations, aiding accelerated materials development.

Contribution

It presents a novel integrated software package that combines phase-field microstructure simulation with finite element mechanical analysis within a user-friendly interface.

Findings

Enables microstructure evolution prediction from ab initio and CALPHAD data.

Facilitates multiscale simulation linking microstructure to mechanical properties.

Supports accelerated materials design within the ICME framework.

Abstract

We have developed a graphical user interface (GUI) based package $\mu$2mech to perform phase-field simulation for predicting microstructure 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 simulation package can facilitate microstructure-property correlation, one of the cornerstones in accelerated materials development within the integrated computational materials engineering (ICME) framework.