Exascale-Ready Modeling to Predict Recrystallization in High-Temperature Materials

Tomas Oppelstrup | 19-ERD-026

Executive Summary

We will develop a unique simulation application and requisite algorithms for modeling the recrystallization of metals at high temperature that will significantly advance computational materials science and alloy design. This application could enable the development of more efficient energy-generation systems while the algorithms could significantly advance parallel discrete-event simulation and capabilities for exascale computing.

Publications, Presentations, and Patents

Cantwell, P. R., et al. 2020. "Grain Boundary Complexion Transitions." Annual Review of Materials Research 50: 465–492. LLNL-JRNL-782099

Meiners, T., et al. 2020. "Observations of Grain-Boundary Phase Transformations in an Elemental Metal." Nature 579, 375378. doi:10.1038/s41586-020-2082-6. LLNL-JRNL-791578

Oppelstrup, T., et al. 2019. "Large Scale Kinetic Monte Carlo Modeling of Recrystallization in Tungsten." Nineteenth International Conference on Fusion Reactor Materials (ICFRM-19), La Jolla, CA, October/November 2019. LLNL-ABS-768193