Modeling of boron adsorption on the (110) tungsten surface

Simon Dorfman, Ronan R. Braga, Kleber C. Mundim, David Fuks

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

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 from ab initio total 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.

Original languageEnglish
Pages (from-to)213-219
Number of pages7
JournalSurface Review and Letters
Volume10
Issue number2-3
DOIs
StatePublished - 1 Jan 2003

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