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Modeling of Boron Adsorption on the (110) Tungsten Surface

Author

Listed:
  • Simon Dorfman

    (Department of Physics, Technion-Israel Institute of Technology, 32000 Haifa, Israel)

  • Ronan R. Braga

    (Inst. Quimica, Univ. Brasilia, CP 4478, 70919-970 Brasilia, Brazil)

  • Kleber C. Mundim

    (Inst. Quimica, Univ. Brasilia, CP 4478, 70919-970 Brasilia, Brazil)

  • David Fuks

    (Materials Engineering Department, Ben-Gurion University, POB 653, 84105 Beer Sheva, Israel)

Abstract

We have performed the atomistic simulations of the adhesion process of a boron atom on the tungsten (110) surface on the basis of the generalized simulation annealing formalism. The interatomic potentials used in these simulations were obtained fromab initiototal energy calculations on the basis of the recursion procedure. The nonempirical calculations have been carried out in the framework of density functional theory in the coherent potential approximation.

Suggested Citation

  • Simon Dorfman & Ronan R. Braga & Kleber C. Mundim & David Fuks, 2003. "Modeling of Boron Adsorption on the (110) Tungsten Surface," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 10(02n03), pages 213-219.
    • Handle: RePEc:wsi:srlxxx:v:10:y:2003:i:02n03:n:s0218625x03004846
    DOI: 10.1142/S0218625X03004846
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