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
{"title":"高压下 Ti-45Al 合金的相变和状态方程","authors":"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","DOIUrl":null,"url":null,"abstract":"<div><p>The phase transformations and pressure-volume dependencies of the Ti–45Al alloy with respect to pressure have been investigated by means of <em>in-situ</em> 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 α<sub>2</sub><span><span>. Lattice parameters as well as volume fractions of these two phases have been determined as functions of pressure. </span>Bulk moduli estimated using Birch-Murnaghan's equation of state are 146.2 GPa for the γ phase, 136.7 GPa for the α</span><sub>2</sub> 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 α<sub>2</sub> and γ phases under high pressure.</p></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"84 ","pages":"Article 102641"},"PeriodicalIF":1.9000,"publicationDate":"2024-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phase transformation and equation of state in Ti–45Al alloy under high pressure\",\"authors\":\"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\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The phase transformations and pressure-volume dependencies of the Ti–45Al alloy with respect to pressure have been investigated by means of <em>in-situ</em> 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 α<sub>2</sub><span><span>. Lattice parameters as well as volume fractions of these two phases have been determined as functions of pressure. </span>Bulk moduli estimated using Birch-Murnaghan's equation of state are 146.2 GPa for the γ phase, 136.7 GPa for the α</span><sub>2</sub> 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 α<sub>2</sub> and γ phases under high pressure.</p></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"84 \",\"pages\":\"Article 102641\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-01-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S036459162300113X\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S036459162300113X","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Phase transformation and equation of state in Ti–45Al alloy under high pressure
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.
期刊介绍：
The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.
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