Article ID Journal Published Year Pages File Type
1503028 Scripta Materialia 2006 4 Pages PDF
Abstract

Mechanical properties of materials depend on crystallographic texture and grain boundary (GB) characteristics. Stable twist GBs are predicted by the coincidence site lattice method and compared to values calculated by molecular dynamics (MD). The local relaxation of atoms in MD can result in a stable structure at some misorientations that are not geometrically expected.

Related Topics
Physical Sciences and Engineering Materials Science Ceramics and Composites
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