Phase transformation and equation of state in Ti–45Al alloy under high pressure

Xi Li; Ruixiang Zhu; Jinghua Xin; Minsi Luo; Shun Li Shang; Zi Kui Liu; Chongshan Yin; Ken Ichi Funakoshi; Rian Johannes Dippenaar; Yuji Higo; Ayumi Shiro; Mark Reid; Takahisa Shobu; Koichi Akita; Wei Bing Zhang; Klaus Dieter Liss

doi:10.1016/j.calphad.2023.102641

Phase transformation and equation of state in Ti–45Al alloy under high pressure

Xi Li, Ruixiang Zhu, Jinghua Xin, Minsi Luo, Shun Li Shang, Zi Kui Liu, Chongshan Yin, Ken Ichi Funakoshi, Rian Johannes Dippenaar, Yuji Higo, Ayumi Shiro, Mark Reid, Takahisa Shobu, Koichi Akita, Wei Bing Zhang, Klaus Dieter Liss

Research output: Contribution to journal › Article › peer-review

Abstract

The phase transformations and pressure-volume dependencies of the Ti–45Al alloy with respect to pressure have been investigated by means of in-situ observation using multi anvil-type high-pressure devices and synchrotron radiation. Under hydrostatic compression from 0 to 10.1 GPa, about 2.3 vol % of γ transforms continuously to α₂. Lattice parameters as well as volume fractions of these two phases have been determined as functions of pressure. Bulk moduli estimated using Birch-Murnaghan's equation of state are 146.2 GPa for the γ phase, 136.7 GPa for the α₂ phase, and 145.6 GPa for their two-phase mixture of Ti–45Al alloy. First-principles have also applied to investigate bulk moduli of two single phases, and the deviation between calculations and measurements is discussed and attributed to mainly phase transformation. The present study provides useful insights into thermodynamics of α₂ and γ phases under high pressure.

Original language	English (US)
Article number	102641
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	84
DOIs	https://doi.org/10.1016/j.calphad.2023.102641
State	Published - Mar 2024

All Science Journal Classification (ASJC) codes

General Chemistry
General Chemical Engineering
Computer Science Applications

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10.1016/j.calphad.2023.102641

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Li, X., Zhu, R., Xin, J., Luo, M., Shang, S. L., Liu, Z. K., Yin, C., Funakoshi, K. I., Dippenaar, R. J., Higo, Y., Shiro, A., Reid, M., Shobu, T., Akita, K., Zhang, W. B., & Liss, K. D. (2024). Phase transformation and equation of state in Ti–45Al alloy under high pressure. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 84, Article 102641. https://doi.org/10.1016/j.calphad.2023.102641

@article{67ecf07d44fb47f2b875fcad00e8ead6,

title = "Phase transformation and equation of state in Ti–45Al alloy under high pressure",

abstract = "The phase transformations and pressure-volume dependencies of the Ti–45Al alloy with respect to pressure have been investigated by means of in-situ observation using multi anvil-type high-pressure devices and synchrotron radiation. Under hydrostatic compression from 0 to 10.1 GPa, about 2.3 vol % of γ transforms continuously to α2. Lattice parameters as well as volume fractions of these two phases have been determined as functions of pressure. Bulk moduli estimated using Birch-Murnaghan's equation of state are 146.2 GPa for the γ phase, 136.7 GPa for the α2 phase, and 145.6 GPa for their two-phase mixture of Ti–45Al alloy. First-principles have also applied to investigate bulk moduli of two single phases, and the deviation between calculations and measurements is discussed and attributed to mainly phase transformation. The present study provides useful insights into thermodynamics of α2 and γ phases under high pressure.",

author = "Xi Li and Ruixiang Zhu and Jinghua Xin and Minsi Luo and Shang, {Shun Li} and Liu, {Zi Kui} and Chongshan Yin and Funakoshi, {Ken Ichi} and Dippenaar, {Rian Johannes} and Yuji Higo and Ayumi Shiro and Mark Reid and Takahisa Shobu and Koichi Akita and Zhang, {Wei Bing} and Liss, {Klaus Dieter}",

note = "Publisher Copyright: {\textcopyright} 2023",

year = "2024",

month = mar,

doi = "10.1016/j.calphad.2023.102641",

language = "English (US)",

volume = "84",

journal = "Calphad: Computer Coupling of Phase Diagrams and Thermochemistry",

issn = "0364-5916",

publisher = "Elsevier Limited",

}

Li, X, Zhu, R, Xin, J, Luo, M, Shang, SL , Liu, ZK, Yin, C, Funakoshi, KI, Dippenaar, RJ, Higo, Y, Shiro, A, Reid, M, Shobu, T, Akita, K, Zhang, WB & Liss, KD 2024, 'Phase transformation and equation of state in Ti–45Al alloy under high pressure', Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol. 84, 102641. https://doi.org/10.1016/j.calphad.2023.102641

TY - JOUR

T1 - Phase transformation and equation of state in Ti–45Al alloy under high pressure

AU - Li, Xi

AU - Zhu, Ruixiang

AU - Xin, Jinghua

AU - Luo, Minsi

AU - Shang, Shun Li

AU - Liu, Zi Kui

AU - Yin, Chongshan

AU - Funakoshi, Ken Ichi

AU - Dippenaar, Rian Johannes

AU - Higo, Yuji

AU - Shiro, Ayumi

AU - Reid, Mark

AU - Shobu, Takahisa

AU - Akita, Koichi

AU - Zhang, Wei Bing

AU - Liss, Klaus Dieter

PY - 2024/3

Y1 - 2024/3

N2 - The phase transformations and pressure-volume dependencies of the Ti–45Al alloy with respect to pressure have been investigated by means of in-situ observation using multi anvil-type high-pressure devices and synchrotron radiation. Under hydrostatic compression from 0 to 10.1 GPa, about 2.3 vol % of γ transforms continuously to α2. Lattice parameters as well as volume fractions of these two phases have been determined as functions of pressure. Bulk moduli estimated using Birch-Murnaghan's equation of state are 146.2 GPa for the γ phase, 136.7 GPa for the α2 phase, and 145.6 GPa for their two-phase mixture of Ti–45Al alloy. First-principles have also applied to investigate bulk moduli of two single phases, and the deviation between calculations and measurements is discussed and attributed to mainly phase transformation. The present study provides useful insights into thermodynamics of α2 and γ phases under high pressure.

AB - The phase transformations and pressure-volume dependencies of the Ti–45Al alloy with respect to pressure have been investigated by means of in-situ observation using multi anvil-type high-pressure devices and synchrotron radiation. Under hydrostatic compression from 0 to 10.1 GPa, about 2.3 vol % of γ transforms continuously to α2. Lattice parameters as well as volume fractions of these two phases have been determined as functions of pressure. Bulk moduli estimated using Birch-Murnaghan's equation of state are 146.2 GPa for the γ phase, 136.7 GPa for the α2 phase, and 145.6 GPa for their two-phase mixture of Ti–45Al alloy. First-principles have also applied to investigate bulk moduli of two single phases, and the deviation between calculations and measurements is discussed and attributed to mainly phase transformation. The present study provides useful insights into thermodynamics of α2 and γ phases under high pressure.

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JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

M1 - 102641

ER -

Phase transformation and equation of state in Ti–45Al alloy under high pressure

Abstract

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