Intermetallic phases with D03-structure: a statistical-thermodynamic model

Описание

Тип публикации: статья из журнала

Год издания: 2002

Ключевые слова: Statistical-thermodynamic model, D03-phases, point defects, Thermodynamic activities, Fe3Al, Ni3Sb, entire function, logarithmic residue, resultant

Аннотация: A statistical-thermodynamic model for binary non-stoichiometric D03-phases has been developed based on a mean-field approximation. The corresponding D03 crystal lattice is divided into three sublattices, the α-, β- and γ-sublattices, where A-atoms occupy the α- and γ-sublattices, and B-atoms occupy the β-sublattice in the perfectlyПоказать полностьюordered case. Neglecting interstitial defects, all other possible point defects, i.e. anti-structure atoms and vacancies on all three sublattices are considered. Based on a grand-canonical approach the expressions for the defect concentrations are derived as functions of composition and temperature, and from these the thermodynamic activities of the two components can be calculated using energies of formation of the six types of point defects as parameters. The model equations are applied to the two intermetallic phases Fe3Al (at 500 K) and Ni3Sb (at 1200 K).

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Издание

Журнал: Journal of Alloys and Compounds

Выпуск журнала: Т.338, 1-2

Номера страниц: 20-25

ISSN журнала: 09258388

Издатель: Elsevier Science Publishing Company, Inc.

Авторы

  • Ipser H. (H. Ipser, Institut fur Anorganische Chemie, Universitat Wien, Wahringerstr. 42, A-1090, Wien, Austria)
  • Semenova O.
  • Krachler R.

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