A Grand-Potential Based Phase-Field Approach for Simulating Growth of Intermetallic Phases in Multicomponent Alloy Systems

Published: 12-01-2021| Version 1 | DOI: 10.17632/4wzgh8nwzr.1
Contributors:

Description

The MATLAB scripts and the C++ source code used to generate the results in the paper entitled "A Grand-Potential Based Phase-Field Approach for Simulating Growth of Intermetallic Phases in Multicomponent Alloy Systems" are shared in this dataset. The MATLAB scripts in the folder "Precomputed properties" require TCNI8 database for thermodynamic properties and MOBNI4 and MOBFE2 databases for kinetic properties. TC-Toolbox (ThermoCalc) for MATLAB is also needed to run these scripts. All scripts generate a CSV-formatted data file containing the required properties per phase. These data files have to be supplied to the ".i" files contained in the folder "MOOSE source files/i_files" for running the phase-field simulations. The C++ source files, which are developed using MOOSE, reside in the folder "MOOSE source files/src". Each source code has its own header file in the folder "MOOSE source files/include".

Files

Steps to reproduce

Step 1: Use TC-Toolbox for MATLAB to run the MATLAB scripts to generate the thermodynamic and kinetic data files. Step 2: Create a custom MOOSE based application (see https://mooseframework.inl.gov/getting_started/examples_and_tutorials/tutorial01_app_development). Step 3: Compile the source codes provided in this dataset within your application. Step 4: Run the input files in conjunction with the generated dataset.