The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor
In the present work, the Wulff cluster model—which has been proven to successfully describe pure metals, homogeneous alloys, and eutectic alloys—has been extended to complex binary Al<sub>80</sub>Ti<sub>20</sub> alloys, containing intermetallic compounds. In our model, the mo...
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MDPI AG
2021-11-01
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| author | Xiaohang Lin Lin Song Anchen Shao Minghao Hua Hui Li Xuelei Tian |
| author_facet | Xiaohang Lin Lin Song Anchen Shao Minghao Hua Hui Li Xuelei Tian |
| author_sort | Xiaohang Lin |
| collection | DOAJ |
| description | In the present work, the Wulff cluster model—which has been proven to successfully describe pure metals, homogeneous alloys, and eutectic alloys—has been extended to complex binary Al<sub>80</sub>Ti<sub>20</sub> alloys, containing intermetallic compounds. In our model, the most probable structure in metallic melts should have the shape determined by Wulff construction within the crystal structure inside, and the cluster’s size could be measured by pair distribution function. For Al<sub>80</sub>Ti<sub>20</sub> binary alloy, three different types of clusters (Al cluster, Al<sub>3</sub>Ti cluster, and Ti cluster) were proposed. Their contributions in XRD results are investigated by a comparison with the partial XRD pattern. Ti–Ti and Al–Ti partial structural factors are completely contributed by a pure Ti cluster and an Al<sub>3</sub>Ti cluster, respectively. Al–Al partial structural factor is contributed not only by a pure Al cluster but is also related to part of the Al<sub>3</sub>Ti cluster. The simulated XRD curve shows a good agreement with the experimental partial I(<i>θ</i>), including the peak position, width, and relative intensity. |
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| language | English |
| last_indexed | 2024-03-10T05:16:39Z |
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| spelling | doaj.art-51a9de1b679643978fd1ac289b6c8cc12023-11-23T00:23:46ZengMDPI AGMetals2075-47012021-11-011111179910.3390/met11111799The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure FactorXiaohang Lin0Lin Song1Anchen Shao2Minghao Hua3Hui Li4Xuelei Tian5Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, ChinaKey Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, ChinaKey Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, ChinaKey Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, ChinaKey Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, ChinaKey Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, ChinaIn the present work, the Wulff cluster model—which has been proven to successfully describe pure metals, homogeneous alloys, and eutectic alloys—has been extended to complex binary Al<sub>80</sub>Ti<sub>20</sub> alloys, containing intermetallic compounds. In our model, the most probable structure in metallic melts should have the shape determined by Wulff construction within the crystal structure inside, and the cluster’s size could be measured by pair distribution function. For Al<sub>80</sub>Ti<sub>20</sub> binary alloy, three different types of clusters (Al cluster, Al<sub>3</sub>Ti cluster, and Ti cluster) were proposed. Their contributions in XRD results are investigated by a comparison with the partial XRD pattern. Ti–Ti and Al–Ti partial structural factors are completely contributed by a pure Ti cluster and an Al<sub>3</sub>Ti cluster, respectively. Al–Al partial structural factor is contributed not only by a pure Al cluster but is also related to part of the Al<sub>3</sub>Ti cluster. The simulated XRD curve shows a good agreement with the experimental partial I(<i>θ</i>), including the peak position, width, and relative intensity.https://www.mdpi.com/2075-4701/11/11/1799Al–Ti alloymeltintermetallic compoundWulff cluster modelDFT |
| spellingShingle | Xiaohang Lin Lin Song Anchen Shao Minghao Hua Hui Li Xuelei Tian The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor Metals Al–Ti alloy melt intermetallic compound Wulff cluster model DFT |
| title | The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor |
| title_full | The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor |
| title_fullStr | The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor |
| title_full_unstemmed | The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor |
| title_short | The Microstructure in an Al–Ti Alloy Melt: The Wulff Cluster Model from a Partial Structure Factor |
| title_sort | microstructure in an al ti alloy melt the wulff cluster model from a partial structure factor |
| topic | Al–Ti alloy melt intermetallic compound Wulff cluster model DFT |
| url | https://www.mdpi.com/2075-4701/11/11/1799 |
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