Article ID Journal Published Year Pages File Type
1451137 Acta Materialia 2005 10 Pages PDF
Abstract

A Voronoi/Delaunay technique which allows for the construction of three-dimensional grain boundary networks with special boundaries for use in molecular dynamics simulations is presented. Using this technique, we make a series of samples containing clusters of grains with given configurations of CSL, low-angle tilt, and general high-angle boundaries and demonstrate the importance of including special grain boundaries in three-dimensional grain boundary networks in the study of the mechanical properties of nanocrystalline systems.

Related Topics
Physical Sciences and Engineering Materials Science Ceramics and Composites
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