First Principles Study of Al(100) Twisted Interfaces

Abstract:

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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.

Info:

Periodical:

Solid State Phenomena (Volume 129)

Edited by:

R. Kozubski, G.E. Murch and P. Zięba

Pages:

131-136

DOI:

10.4028/www.scientific.net/SSP.129.131

Citation:

R. Sot and J. Piechota, "First Principles Study of Al(100) Twisted Interfaces ", Solid State Phenomena, Vol. 129, pp. 131-136, 2007

Online since:

November 2007

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Price:

$35.00

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