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HomeSolid State PhenomenaSolid State Phenomena Vol. 129First Principles Study of Al(100) Twisted...

First Principles Study of Al(100) Twisted Interfaces

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Abstract:

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.

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Periodical:

Solid State Phenomena (Volume 129)

Pages:

131-136

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.129.131

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Online since:

November 2007

Authors:

Robert Sot, Jacek Piechota

Keywords:

Aluminum (Al), Density Function Theory (DFT), Interface, Structural Property

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© 2007 Trans Tech Publications Ltd. All Rights Reserved

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