Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design
To improve the Plasma-facing components (PFC) composed by plasma-facing materials (W) and heat-sink materials (Cu) in thermonuclear reactors, the mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint were improved by heterogeneous interface configuration...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-07-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785425016321 |
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| author | Zida Wang Jinghao Xu Qi Wu Shuwen Shang Wei Shao Jihua Huang Shuhai Chen Zheng Ye Wanli Wang Jian Yang |
| author_facet | Zida Wang Jinghao Xu Qi Wu Shuwen Shang Wei Shao Jihua Huang Shuhai Chen Zheng Ye Wanli Wang Jian Yang |
| author_sort | Zida Wang |
| collection | DOAJ |
| description | To improve the Plasma-facing components (PFC) composed by plasma-facing materials (W) and heat-sink materials (Cu) in thermonuclear reactors, the mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint were improved by heterogeneous interface configuration design. The results indicate that, as the W (110)/Cu (100) interface has the largest interface charge density, the Wad is the largest, which is 3.87 J/m2, and the maximum ideal tensile strain and tensile strength are 13 % and 7.84 GPa, respectively. Owing to its highest degree of electron delocalization, the W (110)/Cu (111) interface exhibits the largest thermal conductivity, which is 1.85 times that of the W (111)/Cu (111) interface and 2.84 times that of the W (110)/Cu (100) interface. Moreover, as the diffusion energy barrier at the W (110)/Cu (100) interface (3.62 eV) is much larger than W (110)/Cu (111) and W (111)/Cu (111) interface, which can be attributed to the O atom at the highest point of energy has the strongest bonding to the W/Cu atoms, W (110)/Cu (100) interface exhibits the most excellent oxidation resistance. Hence, it can be concluded that the W/Cu joint with a large number of W (110)/Cu (100) interfaces will exhibit the best mechanical strength, and oxidation resistance, and W (110)/Cu (111) interfaces has the most excellent thermal conductivity. This study not only contributes to enhancing the service performance of W/Cu composite structures, but provides valuable insights into the fundamental correlation between microstructural characteristics and the mechanical and thermal transport properties at heterogeneous interfaces. |
| format | Article |
| id | doaj-art-85bfec6383074093bfc872c2f84cd7e4 |
| institution | Kabale University |
| issn | 2238-7854 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-85bfec6383074093bfc872c2f84cd7e42025-08-20T03:28:28ZengElsevierJournal of Materials Research and Technology2238-78542025-07-01372661267510.1016/j.jmrt.2025.06.210Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical designZida Wang0Jinghao Xu1Qi Wu2Shuwen Shang3Wei Shao4Jihua Huang5Shuhai Chen6Zheng Ye7Wanli Wang8Jian Yang9School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, China; Faculty of Materials Science and Engineering, Warsaw University of Technology, ul. Wołoska 141, Warszawa, 02-507, PolandSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, ChinaSchool of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, China; Corresponding author.To improve the Plasma-facing components (PFC) composed by plasma-facing materials (W) and heat-sink materials (Cu) in thermonuclear reactors, the mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint were improved by heterogeneous interface configuration design. The results indicate that, as the W (110)/Cu (100) interface has the largest interface charge density, the Wad is the largest, which is 3.87 J/m2, and the maximum ideal tensile strain and tensile strength are 13 % and 7.84 GPa, respectively. Owing to its highest degree of electron delocalization, the W (110)/Cu (111) interface exhibits the largest thermal conductivity, which is 1.85 times that of the W (111)/Cu (111) interface and 2.84 times that of the W (110)/Cu (100) interface. Moreover, as the diffusion energy barrier at the W (110)/Cu (100) interface (3.62 eV) is much larger than W (110)/Cu (111) and W (111)/Cu (111) interface, which can be attributed to the O atom at the highest point of energy has the strongest bonding to the W/Cu atoms, W (110)/Cu (100) interface exhibits the most excellent oxidation resistance. Hence, it can be concluded that the W/Cu joint with a large number of W (110)/Cu (100) interfaces will exhibit the best mechanical strength, and oxidation resistance, and W (110)/Cu (111) interfaces has the most excellent thermal conductivity. This study not only contributes to enhancing the service performance of W/Cu composite structures, but provides valuable insights into the fundamental correlation between microstructural characteristics and the mechanical and thermal transport properties at heterogeneous interfaces.http://www.sciencedirect.com/science/article/pii/S2238785425016321First-principles calculationHeterogeneous interfaceMechanical strengthThermal conductivityDiffusion energy barrierOxidation resistance |
| spellingShingle | Zida Wang Jinghao Xu Qi Wu Shuwen Shang Wei Shao Jihua Huang Shuhai Chen Zheng Ye Wanli Wang Jian Yang Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design Journal of Materials Research and Technology First-principles calculation Heterogeneous interface Mechanical strength Thermal conductivity Diffusion energy barrier Oxidation resistance |
| title | Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design |
| title_full | Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design |
| title_fullStr | Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design |
| title_full_unstemmed | Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design |
| title_short | Comprehensive enhancement of mechanical strength, thermal conductivity, and oxidation resistance of W/Cu diffusion bonding joint via heterogeneous interface configuration theoretical design |
| title_sort | comprehensive enhancement of mechanical strength thermal conductivity and oxidation resistance of w cu diffusion bonding joint via heterogeneous interface configuration theoretical design |
| topic | First-principles calculation Heterogeneous interface Mechanical strength Thermal conductivity Diffusion energy barrier Oxidation resistance |
| url | http://www.sciencedirect.com/science/article/pii/S2238785425016321 |
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