Published 2017 | Version v1
Journal article Metadata-only

Thermodynamic modelling of the Cr-Nb-Sn system

Creators

  • 1. Universite Paris Est, ICMPE, UMR 7182, CNRS, UPEC, F-94320 Thiais, (France)
  • 2. DEN-Service de Recherches Metallurgiques Appliquees, CEA, Universite Paris-Saclay, F-91191 Gif-sur-Yvette, (France)
  • 3. Universite Paris Est, ICMPE UMR 7182, CNRS, UPEC, F-94320 Thiais, (France)

Description

The Cr-Nb-Sn system has been studied experimentally, by first principles calculation and finally modeled with the Calphad method. The experimental study has been carried out on the Cr-Sn binary system to determine the solubility of Sn in the A2 (Cr) solid solution, but also in the Cr-Nb-Sn ternary system in order to determine phase equilibria of the isothermal section at 800 C and 1100 C. Besides, the formation enthalpies of all the ordered configurations of the C15 and A15 phases and the stoichiometric Nb6Sn5 and NbSn2 phases have been calculated using the Density Functional Theory (DFT). The mixing enthalpies of the A2 binary solid solutions have been estimated using the Special Quasi-random Structures (SQS). All these new experimental and calculated data have been taken into account for a new thermodynamic assessment of the three binary and the ternary systems. (authors)

Availability note (English)

Available from doi: http://dx.doi.org/10.1016/j.calphad.2017.02.003

Additional details

Identifiers

DOI
10.1016/j.calphad.2017.02.003;

Publishing Information

Journal Title
Calphad
Journal Volume
57
Journal Page Range
p. 37-45
ISSN
0364-5916

INIS

Country of Publication
United Kingdom
Country of Input or Organization
France
INIS RN
52008027
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
BINARY ALLOY SYSTEMS; CHROMIUM; DENSITY FUNCTIONAL METHOD; DIFFERENTIAL THERMAL ANALYSIS; NIOBIUM; SOLID SOLUTIONS; SOLUBILITY; TERNARY ALLOY SYSTEMS; THERMODYNAMIC MODEL; TIN; ZIRCONIUM ALLOYS
Descriptors DEC
ALLOY SYSTEMS; ALLOYS; CALCULATION METHODS; DISPERSIONS; ELEMENTS; HOMOGENEOUS MIXTURES; MATHEMATICAL MODELS; METALS; MIXTURES; PARTICLE MODELS; REFRACTORY METALS; SOLUTIONS; STATISTICAL MODELS; THERMAL ANALYSIS; TRANSITION ELEMENT ALLOYS; TRANSITION ELEMENTS; VARIATIONAL METHODS

Optional Information

Notes
54 refs.