Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys
Tungsten (W) is considered as the potential plasma facing material of the divertor and the first wall material in fusion. To further improve the ductility of W, the structural and mechanical properties of W–M (M = rare earth element Y, La, Ce and Lu) alloys are systematically investigated by first-p...
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2021-06-01
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| Online Access: | https://www.mdpi.com/1996-1944/14/11/3046 |
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| author | Mingyu Wu Zhihang Wang Ningning Zhang Changchun Ge Yujuan Zhang |
| author_facet | Mingyu Wu Zhihang Wang Ningning Zhang Changchun Ge Yujuan Zhang |
| author_sort | Mingyu Wu |
| collection | DOAJ |
| description | Tungsten (W) is considered as the potential plasma facing material of the divertor and the first wall material in fusion. To further improve the ductility of W, the structural and mechanical properties of W–M (M = rare earth element Y, La, Ce and Lu) alloys are systematically investigated by first-principles calculations. Our results reveal that all the W<sub>1<i>−x</i></sub>M<i><sub>x</sub></i> (<i>x</i> = 0.0625, 0.125, 0.1875, 0.25) alloys can form binary solid solution at the atomic level, and the alloys keep bcc lattice structures until the concentration of M increases to a certain value. Although the moduli of the alloys are reduced compared to that of pure W metal, the characteristic <i>B/G</i> ratio and Poisson’s ratio significantly increase, implying all the four rare earth elements can efficiently improve the ductility of W metal. Considering both factors of mechanical strength and ductility, La and Ce are better alloying elements than Y and Lu. |
| first_indexed | 2024-03-10T10:44:30Z |
| format | Article |
| id | doaj.art-032aee831b0d46a08372c5ee075a1767 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-10T10:44:30Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
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| series | Materials |
| spelling | doaj.art-032aee831b0d46a08372c5ee075a17672023-11-21T22:39:26ZengMDPI AGMaterials1996-19442021-06-011411304610.3390/ma14113046Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element AlloysMingyu Wu0Zhihang Wang1Ningning Zhang2Changchun Ge3Yujuan Zhang4Institute of Nuclear Materials, School of Materials Science and Engineering, University of Science and Technology Beijing (USTB), Beijing 100083, ChinaInstitute of Nuclear Materials, School of Materials Science and Engineering, University of Science and Technology Beijing (USTB), Beijing 100083, ChinaInstitute of Nuclear Materials, School of Materials Science and Engineering, University of Science and Technology Beijing (USTB), Beijing 100083, ChinaInstitute of Nuclear Materials, School of Materials Science and Engineering, University of Science and Technology Beijing (USTB), Beijing 100083, ChinaInstitute of Nuclear Materials, School of Materials Science and Engineering, University of Science and Technology Beijing (USTB), Beijing 100083, ChinaTungsten (W) is considered as the potential plasma facing material of the divertor and the first wall material in fusion. To further improve the ductility of W, the structural and mechanical properties of W–M (M = rare earth element Y, La, Ce and Lu) alloys are systematically investigated by first-principles calculations. Our results reveal that all the W<sub>1<i>−x</i></sub>M<i><sub>x</sub></i> (<i>x</i> = 0.0625, 0.125, 0.1875, 0.25) alloys can form binary solid solution at the atomic level, and the alloys keep bcc lattice structures until the concentration of M increases to a certain value. Although the moduli of the alloys are reduced compared to that of pure W metal, the characteristic <i>B/G</i> ratio and Poisson’s ratio significantly increase, implying all the four rare earth elements can efficiently improve the ductility of W metal. Considering both factors of mechanical strength and ductility, La and Ce are better alloying elements than Y and Lu.https://www.mdpi.com/1996-1944/14/11/3046tungstenrare earth elementmechanical propertyfirst-principles calculation |
| spellingShingle | Mingyu Wu Zhihang Wang Ningning Zhang Changchun Ge Yujuan Zhang Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys Materials tungsten rare earth element mechanical property first-principles calculation |
| title | Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys |
| title_full | Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys |
| title_fullStr | Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys |
| title_full_unstemmed | Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys |
| title_short | Theoretical Predictions of the Structural and Mechanical Properties of Tungsten–Rare Earth Element Alloys |
| title_sort | theoretical predictions of the structural and mechanical properties of tungsten rare earth element alloys |
| topic | tungsten rare earth element mechanical property first-principles calculation |
| url | https://www.mdpi.com/1996-1944/14/11/3046 |
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