Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data-Reference-Cited by-同舟云学术

Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data

Published:2024-06 Issue:3 Volume:45 Page:732-756
ISSN:1547-7037
Container-title:Journal of Phase Equilibria and Diffusion
language:en
Short-container-title:J. Phase Equilib. Diffus.

Author:

Liang Zhi,Kattner Ursula,Choudharry Kamal,Tavazza Francesca,Campbell Carelyn

Abstract

AbstractA thermodynamic description of the Ti-Al-Fe system was established with reassessed Ti-Al and Ti-Fe binary systems using density function theory (DFT) data. All stable and metastable end members of BCC_B2, BCC_D03/B32, BCC_L21, inverse BCC_L21, Laves C14, D019-Ti3Al, L10-TiAl, Ti Al2, Ti3Al5, D022-TiAl3, τ2 and τ3 in the Ti-Al, Ti-Fe and Ti-Al-Fe systems were energetically defined with available experimental data and DFT calculations, reaching reasonable consistency. The ternary description was used to successfully calculate the A2-B2-L21 transformation in Fe-rich corner and A2-B2 transformation in Ti-rich corner, allowing the design of Ti-rich and Fe-rich alloys in this system.

Publisher

Springer Science and Business Media LLC

Link

https://link.springer.com/content/pdf/10.1007/s11669-024-01124-9.pdf

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