Expansion and Automation of the Energy Conserving Orientational Force for Calculation of Grain Boundary Mobility

Report No. ARL-TR-8302
Authors: Matthew Guziewski; Shawn P Coleman; Mark A Tschopp
Date/Pages: February 2018; 42 pages
Abstract: An algorithm is developed that automates the application of the energy conserving orientational (ECO) force bicrystal grain boundaries. This will allow for simpler and more rapid calculations of grain boundary mobility values at varying orientations and temperatures. Additionally, the ECO driving force is expanded from its original implementation for only face-centered cubic crystals to body-centered cubic structures.
Distribution: Approved for public release
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Last Update / Reviewed: February 1, 2018