Surface Segregation in Transition Metal Alloys : From Electronic Structure to Phase Portraits

スポンサーリンク

概要

• 論文の詳細を見る

• The empirical models using pairwise interactions cannot be used to treat surface segregation in transition metal alloys, but we show that an effective Ising hamiltonian can be derived from their electronic structure. In addition to this Tight Binding Ising Model (TBIM) developed for a rigid lattice, a size-mismatch energy can be defined from quenched molecular dynamics calculations performed within the same tight-binding approximation. This energetic model can be coupled with a mean field approximation formulated in terms of phase portraits. Applications to some spectacular and recently observed surface phase transitions are presented.

• 理論物理学刊行会の論文
• 1991-02-05

著者

• Legrand Bernard

  Section De Recherche De Metallurgie Physique Cen Saclay

• DUCASTELLE Francois

  Office National d'Etudes et de Recherches Aerospatiales (ONERA)

• TREGLIA Guy

  Laboratoire de Physique des Solides, Bat 510, Universityersite Paris-Sud

• Treglia Guy

  Laboratoire De Physique Des Solides Bat 510 Universityersite Paris-sud

• Ducastelle F

  Office National D'etudes Et De Recherches Aerospatiales Chatillon Fra

• Ducastelle Francois

  Office National D'etudes Et De Recherches Aerospatiales (onera)

関連論文

• Surface Segregation in Transition Metal Alloys : From Electronic Structure to Phase Portraits
• Variational and Mean Field Formulations of the Cluster Variation Method and of the Path Probability Method

スポンサーリンク