BULK AND SURFACE-PROPERTIES OF ALUMINUM - A MOLECULAR-DYNAMICS SIMULATION

Date

1994-05-01

Author

ELBAYYARI, Z
Erkoç, Şakir

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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

Collections

Department of Physics, Article