First Principles Study of Al(100) Twisted Interfaces |
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| Journal | Solid State Phenomena (Volume 129) |
|---|---|
| Volume | MULTISCALE KINETIC MODELLING OF MATERIALS |
| Edited by | R. Kozubski, G.E. Murch and P. Zięba |
| Pages | 131-136 |
| DOI | 10.4028/www.scientific.net/SSP.129.131 |
| Citation | Robert Sot et al., 2007, Solid State Phenomena, 129, 131 |
| Online since | November, 2007 |
| Authors | Robert Sot, Jacek Piechota |
| Keywords | Aluminium, Density Functional Theory (DFT), Interface, Structural Properties |
| 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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