First Principles Study of Al(100) Twisted Interfaces
2007 ◽
Vol 129
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pp. 131-136
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Keyword(s):
First principles density functional calculations have been performed for a number of Al(100) twisted interfaces with the purpose to investigate the most stable atomic structures. Orientation dependence of interface energy normalized to bulk is established and discussed. The obtained results can be used to model grain growth in molecular dynamics studies.
2016 ◽
Vol 18
(40)
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pp. 28117-28124
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2014 ◽
Vol 16
(27)
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pp. 14096-14107
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2012 ◽
Vol 73
(10)
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pp. 1197-1202
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