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

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.

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Document Details

Document Type
Technical Report
Publication Date
Feb 21, 2018
Accession Number
AD1047833

Entities

People

  • Mark Tschopp
  • Matthew Guziewski
  • Shawn P Coleman

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Algorithms
  • Application Software
  • Boundaries
  • Buildings And Structures
  • Computer Programs
  • Computer Simulations
  • Crystal Structure
  • Crystallography
  • Crystals
  • Department Of Defense
  • Digital Data
  • Digital Information
  • Dynamics
  • Grain Boundaries
  • Grain Growth
  • Grain Structures (Metallurgy)
  • Materials
  • Materials Science
  • Mathematics
  • Metadata
  • Microstructure
  • Military Research
  • Mobility
  • Molecular Dynamics
  • Molecular Mechanics Methods
  • Personal Information Managers
  • Physics Laboratories
  • Research Facilities
  • Simulations

Readers

  • Computational Modeling and Simulation
  • Maritime Combat Support and Expeditionary Logistics.
  • Materials Science and Engineering.