Theoretical investigation of L10-disorder phase equilibria in Fe-Pd alloy system

Tetsuo Mori, T. Horiuchi, H. Uzawa, M. Ibaragi, M. Igarashi, F. Abe

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

Lennard-Jones type pair-interaction energies are derived for Fe-Fe, Fe-Pd and Pd-Pd nearest neighbor pairs based on the thermodynamic data of cohesive energies, heats of formation and lattice constants. The dependency on the atomic separation is incorporated in each interaction energy. The configurational entropy is formulated within the tetrahedron approximation of the Cluster variation method by explicitly taking the tetragonality into account. Then, the free energy of the system is formulated as a function of cluster probabilities up to a tetrahedron cluster, nearest neighbor atomic separations and the tetragonality. Experimental transition temperatures of L10-disorder are reproduced accurately by incorporating the tetragonal distortion, and a preliminary analysis suggests that the additional magnetic interaction leads to a stabilization of the L10 ordered phase.

Original languageEnglish
Pages (from-to)13-18
Number of pages6
JournalJournal of Alloys and Compounds
Volume317-318
DOIs
Publication statusPublished - 2001 Apr 12

Keywords

  • Cluster variation method
  • Fe-Pd phase equilibria
  • L1 ordered phase
  • Lennard-Jones type potential

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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