Calculation of Absorption Energies Using EAM Potential for Al-Mg alloy systems
Abstract
Spline-based embedded-atom method (EAM) interatomic potentials for Al-Mg alloy systems are developed using existing EAM potentials. The lattice constant, bulk modulus and shear modulus for the alloy are determined to demonstrate the validity of the new potential. The absorption energies of Mg atoms on Al surfaces are also calculated and compared with the results of ab-initio calculations.
- Publication:
-
APS March Meeting Abstracts
- Pub Date:
- March 2008
- Bibcode:
- 2008APS..MARQ20009L