Insights into grain boundary energy structure-property relationships by examining computed [1 0 0] disorientation axis grain boundaries in Nickel. (August 2020)

• Record Type: Journal Article
• Authors: Erickson, Hunter C.; Homer, Eric R.
• Is Part Of: Scripta materialia. Number 185(2020)
• Page Start: 165
• Page End: 169
• Publication Date: 2020-08
• Subjects: Grain boundaries -- Atomistic simulations -- Nickel; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2020.03.062
• Languages: English
• ISSNs: 1359-6462

Abstract

Graphical abstract: Abstract: A study of 346 computed [1 0 0] disorientation axis grain boundaries provides insight into grain boundary energy structure-property relationships. The grain boundaries come from 6 coincidence site lattice misorientations at regularly spaced disorientation angles, and cover the full range of boundary plane orientations. The computed energy has clear trends in disorientation angle and boundary plane orientation. The data are used to reexamine the 'special' attribute frequently applied to low Σ coincidence site lattice misorientations and low-angle boundaries and to assess the accuracy of a face-centered cubic grain boundary energy function developed by Bulatov, Reed, and Kumar (Acta Mater. 65 (2014) 161-175).