Calculation of Absorption Energies Using EAM Potential for Al-Mg alloy systems

ORAL

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.

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Authors

  • Laalitha Liyanage

    Center for advanced vehicular system, Dept. of Physics and Astronomy; Center for Advanced Vehicular System, Mississippi State University

  • Bohumir Jelinek

    Center for advanced vehicular system, Dept. of Physics and Astronomy; Center for Advanced Vehicular System, Mississippi State University

  • Sungho Kim

    Mississippi State University, Center for advanced vehicular system, Dept. of Physics and Astronomy; Center for Advanced Vehicular System, Mississippi State University

  • Mark F. Horstemeyer

    Mississippi State University, Center for advanced vehicular system

  • Seong Gon Kim

    Center for advanced vehicular system