Expansion and Automation of the Energy Conserving Orientational Force for Calculation of Grain Boundary Mobility
Technical Report,01 May 2017,31 Aug 2017
US Army Research Laboratory Aberdeen Proving Ground United States
Pagination or Media Count:
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.
- Properties of Metals and Alloys
- Atomic and Molecular Physics and Spectroscopy