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Title of article :
Developing realistic grain boundary networks for use in molecular dynamics simulations Original Research Article
Author/Authors :
A.G. Fr?seth، نويسنده , , H. Van Swygenhoven، نويسنده , , P.M. Derlet، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2005
Pages :
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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.
Keywords :
Nanocrystalline materials , molecular dynamics , simulation , Mechanical properties
Journal title :
ACTA Materialia
Journal title :
ACTA Materialia
Serial Year :
Link To Document :