Accession Number : AD1047833


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


Descriptive Note : Technical Report,01 May 2017,31 Aug 2017


Corporate Author : US Army Research Laboratory Aberdeen Proving Ground United States


Personal Author(s) : Guziewski,Matthew ; Coleman,Shawn P ; Tschopp,Mark A


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/1047833.pdf


Report Date : 21 Feb 2018


Pagination or Media Count : 42


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.


Descriptors :   MOLECULAR DYNAMICS SIMULATIONS , grain structures(metallurgy) , microstructure , mobility , crystals , military research , grain boundaries , crystal structure , algorithms


Subject Categories : Properties of Metals and Alloys
      Atomic and Molecular Physics and Spectroscopy


Distribution Statement : APPROVED FOR PUBLIC RELEASE