CALPHAD Modelling of Ag–Pd–Sn Ternary System

A. S. Pavlenko; Павленко А. С.; G. P. Zhmurko; Жмурко Г. П.; E. G. Kabanova; Кабанова Е. Г.; M. A. Kareva; Карева М. А.; E. A. Ptashkina; Пташкина Е. А.; V. N. Kuznetsov; Кузнецов В. Н.

doi:10.31857/S0044453723090145

CALPHAD Modelling of Ag–Pd–Sn Ternary System

Authors: Pavlenko A.S.¹, Zhmurko G.P.¹, Kabanova E.G.¹, Kareva M.A.¹, Ptashkina E.A.¹, Kuznetsov V.N.¹
Affiliations:
1. Department of Chemistry, Lomonosov Moscow State University
Issue: Vol 97, No 9 (2023)
Pages: 1329-1335
Section: ХЕМОИНФОРМАТИКА И КОМПЬЮТЕРНОЕ МОДЕЛИРОВАНИЕ
Submitted: 26.02.2025
Published: 01.09.2023
URL: https://ruspoj.com/0044-4537/article/view/668670
DOI: https://doi.org/10.31857/S0044453723090145
EDN: https://elibrary.ru/XOYJQW
ID: 668670

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Abstract

CALPHAD modelling of the Ag–Pd–Sn ternary system has been performed. The disordered phases, the melt and the fcc phase were described using the substitutional solution model. Sublattice models were used to describe intermetallic compounds and the ternary phase. The two-sublattice model (Ag,Pd)4(Ag, Sn) used for the ternary phase made it possible to reproduce the inclination of its homogeneity range. The results of the thermodynamic calculation of the Ag–Pd–Sn system are in good agreement with the experimental data on phase equilibria and enthalpies of formation of the liquid. The agreement with the data on the partial Gibbs energy of tin in the liquid is somewhat worse.

Keywords

palladium alloys, phase equilibria, thermodynamic modeling

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