Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation
Tin (Sn) can be used as an effective TiAl powder sintering aid, but it is unclear whether Sn will deteriorate its properties as a micro-alloyed element in TiAl intermetallic. This work focuses on the influence of Sn on the mechanical properties and oxidation resistance of TiAl alloys. The effect of...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-11-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785422017136 |
| _version_ | 1828090634677780480 |
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| author | Ce Zhang Shuaihua Zhang Yu Pan Wei Xu Harsh-preet Singh Bowen Liu Dong Lu Hanlin Wang Jiazhen Zhang Xin Lu |
| author_facet | Ce Zhang Shuaihua Zhang Yu Pan Wei Xu Harsh-preet Singh Bowen Liu Dong Lu Hanlin Wang Jiazhen Zhang Xin Lu |
| author_sort | Ce Zhang |
| collection | DOAJ |
| description | Tin (Sn) can be used as an effective TiAl powder sintering aid, but it is unclear whether Sn will deteriorate its properties as a micro-alloyed element in TiAl intermetallic. This work focuses on the influence of Sn on the mechanical properties and oxidation resistance of TiAl alloys. The effect of Sn on the mechanical properties of TiAl alloys is investigated by experiments and first-principles calculations. Sn atoms preferentially occupy the Al sites in γ-TiAl alloys and increase the lattice volume, which is consistent with the XRD pattern. The elastic constants of TiAl alloys with different Sn contents are also systematically presented. It is found that 1.85 at.% Sn addition improves the ductility of TiAl, but a higher Sn content reduces the ductility. This result is also verified by room temperature compression test. The density of states is also used to prove the ductility improvement of TiAl alloys with a certain amount of Sn. Last, the diffusion barrier of O and Al/Ti–O bond strength were calculated to evaluate the oxidation resistance of TiAl–Sn alloys. The addition of Sn markedly increases the O diffusion barrier and Al–O bond force constant, indicating that Sn can improve the oxidation resistance of TiAl alloy. |
| first_indexed | 2024-04-11T06:00:53Z |
| format | Article |
| id | doaj.art-611b6952d6684298a4b44907d7d213ef |
| institution | Directory Open Access Journal |
| issn | 2238-7854 |
| language | English |
| last_indexed | 2024-04-11T06:00:53Z |
| publishDate | 2022-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj.art-611b6952d6684298a4b44907d7d213ef2022-12-22T04:41:42ZengElsevierJournal of Materials Research and Technology2238-78542022-11-012136663677Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigationCe Zhang0Shuaihua Zhang1Yu Pan2Wei Xu3Harsh-preet Singh4Bowen Liu5Dong Lu6Hanlin Wang7Jiazhen Zhang8Xin Lu9National Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, ChinaNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, ChinaNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, ChinaNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, China; Shunde Graduate School of University of Science and Technology Beijing, Foshan 528399, China; Corresponding author.Department of Chemical and Materials Engineering, University of Auckland, Auckland 1142, New ZealandNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, ChinaChengdu Advanced Metal Materials Industry Technology Research Institute Co., Ltd, Chengdu 610300, ChinaNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, ChinaNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, ChinaNational Engineering Research Center for Advanced Rolling and Intelligent Manufacturing, National Engineering Technology Research Center of Flat Rolling Equipment, Institute of Engineering Technology, University of Science and Technology Beijing, Beijing, 100083, China; Shunde Graduate School of University of Science and Technology Beijing, Foshan 528399, China; Southern Marine Science and Engineering Guangdong Laboratory, Zhuhai 519080, China; Corresponding author.Tin (Sn) can be used as an effective TiAl powder sintering aid, but it is unclear whether Sn will deteriorate its properties as a micro-alloyed element in TiAl intermetallic. This work focuses on the influence of Sn on the mechanical properties and oxidation resistance of TiAl alloys. The effect of Sn on the mechanical properties of TiAl alloys is investigated by experiments and first-principles calculations. Sn atoms preferentially occupy the Al sites in γ-TiAl alloys and increase the lattice volume, which is consistent with the XRD pattern. The elastic constants of TiAl alloys with different Sn contents are also systematically presented. It is found that 1.85 at.% Sn addition improves the ductility of TiAl, but a higher Sn content reduces the ductility. This result is also verified by room temperature compression test. The density of states is also used to prove the ductility improvement of TiAl alloys with a certain amount of Sn. Last, the diffusion barrier of O and Al/Ti–O bond strength were calculated to evaluate the oxidation resistance of TiAl–Sn alloys. The addition of Sn markedly increases the O diffusion barrier and Al–O bond force constant, indicating that Sn can improve the oxidation resistance of TiAl alloy.http://www.sciencedirect.com/science/article/pii/S2238785422017136Titanium aluminideTin (Sn)Mechanical propertiesElastic constantsFirst principles |
| spellingShingle | Ce Zhang Shuaihua Zhang Yu Pan Wei Xu Harsh-preet Singh Bowen Liu Dong Lu Hanlin Wang Jiazhen Zhang Xin Lu Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation Journal of Materials Research and Technology Titanium aluminide Tin (Sn) Mechanical properties Elastic constants First principles |
| title | Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation |
| title_full | Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation |
| title_fullStr | Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation |
| title_full_unstemmed | Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation |
| title_short | Effect of Sn addition on the mechanical properties and high-temperature oxidation resistance of intermetallic TiAl alloys by first principles study and experimental investigation |
| title_sort | effect of sn addition on the mechanical properties and high temperature oxidation resistance of intermetallic tial alloys by first principles study and experimental investigation |
| topic | Titanium aluminide Tin (Sn) Mechanical properties Elastic constants First principles |
| url | http://www.sciencedirect.com/science/article/pii/S2238785422017136 |
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