Abstract
Abstract The Pd–Zr system has been critically assessed by means of the CALPHAD technique. The solution phases (liquid, body-centered cubic (Zr), face-centered cubic (Pd) and hexagonal close-packed (Zr)) were modeled with the Redlich – Kister equation. The intermetallic compounds Pd3Zr and γPdZr, which have a homogeneity range, were treated as the formulae (Pd, Zr)3(Pd, Zr) and (Pd, Va)(Pd, Zr) by a two-sublattice model with Pd and Zr or Pd and vacancies, denoted Va, on the first sublattice, Pd and Zr on the second one, respectively. Both compounds Pd2Zr and PdZr2 having a tetragonal MoSi2-type structure were treated as one phase with the formula PdZr(Pd, Zr) by a three-sublattice model with Pd on the first sublattice, Zr on the second, and Pd and Zr on the third one, respectively. The others were treated as stoichiometric compounds. A set of self-consistent thermodynamic parameters of the Pd–Zr system was obtained.
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