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First principles study of Al(100) twisted interfaces

Robert Sot 1,2Jacek Piechota 2

1. Warsaw University of Technology, Faculty of Materials Science and Engineering (InMat), Wołoska 141, Warszawa 02-507, Poland
2. Warsaw University, Interdisciplinary Centre for Materials Modelling (ICMM), Pawinskiego 5a, Warszawa 02-106, Poland


The 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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Related papers

Presentation: Poster at E-MRS Fall Meeting 2006, Symposium H, by Jacek Piechota
See On-line Journal of E-MRS Fall Meeting 2006

Submitted: 2006-05-15 19:54
Revised:   2009-06-07 00:44