Integrating Data and Computational Tools for Advanced Materials Design

Integrating fundamental data with computational tools to predict materials properties is essential to improve materials design methods. This research will focus on the development and integration of first principle calculations; atomistic simulations; and/or thermodynamic, diffusion mobility, and molar volume CALPHAD-based databases with various computational tools to predict desired material properties (e.g., strength, fatigue) in structural materials. Essential to this process is the understanding of phase relations, phase tran...