CALPHAD modeling and experimental assessment of Ti-Al-Mn ternary system

Liang, Zhi; Miao, Jr‐Ming; Shi, Renhai; Williams, James C.; Luo, Alan A.

doi:10.1016/j.calphad.2018.09.002

Calphad

2018

DOI: 10.1016/j.calphad.2018.09.002

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CALPHAD modeling and experimental assessment of Ti-Al-Mn ternary system

Zhi Liang

Jr‐Ming Miao

Renhai Shi

et al.

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Cited by 16 publications

References 30 publications

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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

Liang,

Kattner,

Choudharry

et al. 2024

J. Phase Equilib. Diffus.

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A 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.

show abstract

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

Liang,

Kattner,

Choudharry

et al. 2024

J. Phase Equilib. Diffus.

View full text Add to dashboard Cite

show abstract

Design and preparation of aluminum alloy with high thermal conductivity based on CALPHAD and first-principles calculation

et al. 2022

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Applications of CALPHAD modeling and databases in advanced lightweight metallic materials

Shi

Luo

2018

Calphad

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CALPHAD modeling and experimental assessment of Ti-Al-Mn ternary system

Cited by 16 publications

References 30 publications

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

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

Design and preparation of aluminum alloy with high thermal conductivity based on CALPHAD and first-principles calculation

Applications of CALPHAD modeling and databases in advanced lightweight metallic materials

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