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BULK AND SURFACE-PROPERTIES OF ALUMINUM - A MOLECULAR-DYNAMICS SIMULATION
Date
1994-05-01
Author
ELBAYYARI, Z
Erkoç, Şakir
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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We have investigated the bulk and surface properties of aluminum using the molecular-dynamics technique. In the simulation a recently developed empirical many-body potential energy function, which contains two- and three-body atomic interactions, has been used. The bulk properties of specific heat capacity and vacancy formation energy have been calculated, and the surface properties of surface energy, surface vacancies, and adatoms on the (001) surface, have been investigated at low temperature.
Subject Keywords
General Materials Science
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/51127
Journal
MATERIALS CHEMISTRY AND PHYSICS
DOI
https://doi.org/10.1016/0254-0584(94)90179-1
Collections
Department of Physics, Article