Yuri Mishin, Professor, Physics, and Astronomy, is working to advance the fundamental understanding of interface thermodynamics and kinetics using atomistic supercomputer modeling.

Mishin has several goals for this project.

First, he aims to understand the fundamental mechanisms of grain boundary (GB) segregation and GB diffusion in alloy systems.

Second, he aims to investigate the 2D thermodynamics of GB phase transformations in alloys.

Third, he intends to uncover relationships between the thermodynamic (segregation) and kinetic (diffusion) GB properties.

Next, he aims to investigate the solute drag effect by moving GBs and establishing relationships between maximum drag force, alloy thermodynamics, and GB type.

Finally, he aims to investigate phase transformations in moving GBs by direct molecular dynamics modeling.

To accomplish these tasks, Mishin will use molecular dynamics and Monte Carlo simulations in various statistical ensembles, along with other techniques, including kinetic Monte Carlo and jump correlation analysis.

Mishin received $232,190 from the National Science Foundation for this project. Funding began in June 2021 and will end in late May 2024.