Survey of Grain Boundary Energies in Four Elemental Metals

David L. Olmsted; Elizabeth A. Holm; Stephen M. Foiles

doi:10.4028/www.scientific.net/MSF.715-716.179

Paper Titles

An Investigation of the Dynamic Recrystallisation Behaviour of Magnesium AZ31 Alloy at 450°C Using Plane Strain Compression Testing as a Tool
p.164

Texture and Microstructure Evolution during Cold Rolling of Cu-Fe Laminates Prepared by Accumulative Roll Bonding
p.170

New Recrystallisation Behaviour Seen in Magnesium Alloy Elektron 675
p.171

Evolution of Textures and Microstructures in Low-Reduction Rolled and Annealed Low-Carbon Steels
p.173

Survey of Grain Boundary Energies in Four Elemental Metals
p.179

Substructure and Texture Characteristics of the Deformed Matrix and Dynamically Recrystallized Grains in a Ni-30%Fe Austenitic Alloy
p.180

Understanding Grain Boundary Junctions: Effect of the Grain Size on Microstructure Evolution
p.186

Influence of Grain Boundary Mobility on Microstructure Evolution during Recrystallisation
p.191

Simulation of Grain Growth under the Effect of Stress
p.197

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Survey of Grain Boundary Energies in Four Elemental Metals

Abstract:

Grain boundary properties depend on both composition and structure. To test the relative contributions of composition and structure to the grain boundary energy, we calculated the energy of 388 grain boundaries in four elemental, fcc metals: Ni, Al, Au and Cu. We constructed atomic-scale bicrystals of each boundary and subjected them to a rigorous energy minimization process to determine the lowest energy structure. Typically, several thousand boundary configurations were examined for each boundary in each element.