A Potts Model parameter study of particle size, Monte Carlo temperature, and “Particle-Assisted Abnormal Grain Growth”

Journal Article · Tue Dec 01 00:00:00 EST 2020 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2020.109945· OSTI ID:1657200

Frazier, William E. ^[1]; Hu, Shenyang  ^[1]; Joshi, Vineet V.  ^[1]

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1. BATTELLE (PACIFIC NW LAB)

A Potts Model was proposed to account for temperature and particle heterogeneity-dependent Zener Pinning. This was accomplished by relating the random fluctuations of grain boundary position allowed by the Potts Model switching probability at finite simulation temperature to experimentally observed grain growth stagnation behavior. We assume that these fluctuations arise from random fluctuations in the thermodynamic and kinetic properties of the grain boundaries and/or interfaces as they change with temperature. As an application of this model, the grain growth kinetics of U-10 wt. % Mo nuclear fuels were simulated with the input of microstructural images during different heat treatment processes. Simulated average grain growth behavior is in good agreement with experiments.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1657200
• Report Number(s): PNNL-SA-133109
• Journal Information: Computational Materials Science, Vol. 185
• Country of Publication: United States
• Language: English