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Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System

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Abstract

The Cr–Ti system was investigated by several experimental methods and first-principles calculations. The thermodynamic activity of the body-centered cubic solid solution was measured by Knudsen effusion mass spectrometry. The stability of all three polymorphic structures of the Laves phase (C14, C15, and C36) was determined by differential thermal analysis, and the equilibrium tie-lines with the solid solution were obtained by combining results from diffusion couples and equilibrated alloys. The enthalpy of formation of the Laves phases with the corresponding end-members were calculated using density functional theory and the obtained values were integrated in the models. The experimental and computed data available in the literature was reviewed and the binary system was assessed by the Calphad method. The present evaluation results in an improved thermodynamic description, which can describe the experimentally observed activity in a large temperature range. The temperatures of the invariant reactions between the C15 and the C36 phase with the Cr-rich and the Ti-rich bcc solid solution were significantly modified. The difference of the temperature of transformation between the C15 and the C36 polytypes on both sides of the Laves phase is much smaller than reported previously.

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Acknowledgment

The authors thank Shigehiro Ishikawa for his contribution to the EPMA, DTA, and XRD experiments and Thierry Alpettaz for KEMS activity measurements.

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Authors and Affiliations

  1. Service de recherche en Corrosion et Comportement des Matériaux, Université Paris-Saclay, CEA, Gif-Sur-Yvette, France

    Agustin Flores, Sylvie Chatain & Paul Fossati

  2. Université Paris Est Creteil, ICMPE, Thiais, France

    Agustin Flores & Jean-Marc Joubert

  3. Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany

    Frank Stein

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This invited article is part of a special tribute issue of the Journal of Phase Equilibria and Diffusion dedicated to the memory of Thaddeus B. “Ted” Massalski. The issue was organized by David E. Laughlin, Carnegie Mellon University; John H. Perepezko, University of Wisconsin–Madison; Wei Xiong, University of Pittsburgh; and JPED Editor-in-Chief Ursula Kattner, National Institute of Standards and Technology (NIST).

Supplementary Information

Below is the link to the electronic supplementary material.

Heating-rate dependence of the DTA onset temperatures of the C15-C36 and C36-C14 transformations of Ti-rich samples.

Supplementary file1 (TIF 5440 kb)

Laves phase region of present assessment compared with experimental data.

Supplementary file2 (TIF 975 kb)

Rietveld refinement of 24 at.% Ti alloy treated at 1300°C. Identified phases: bcc.

Supplementary file3 (TIF 649 kb)

Rietveld refinement of 24 at.% Ti alloy treated at 1150°C. Identified phases: bcc + C15.

Supplementary file4 (TIF 672 kb)

Rietveld refinement of 48 at.% Ti alloy treated at 1100°C. Identified phases: bcc + C15.

Supplementary file5 (TIF 705 kb)

Rietveld refinement of 48 at.% Ti alloy treated at 1150°C. Identified phases: bcc + C36.

Supplementary file6 (TIF 716 kb)

Parameters of the thermodynamic database of the Cr–Ti system.

Supplementary file6 (TXT 7 kb)

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Flores, A., Chatain, S., Fossati, P. et al. Experimental Investigation and Thermodynamic Assessment of the Cr–Ti System. J. Phase Equilib. Diffus. (2024). https://doi.org/10.1007/s11669-024-01090-2

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