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| Main Authors: | , , , , , , , , , , |
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| Format: | Preprint |
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2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2404.18050 |
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| _version_ | 1866913333421015040 |
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| author | Wang, Xue-Qian Song, Run-Xin Guan, Xu Li, Shuan Sun, Shuchen Yang, Hongbo Wu, Daogao Tu, Ganfeng Li, Song Yan, Hai-Le Zuo, Liang |
| author_facet | Wang, Xue-Qian Song, Run-Xin Guan, Xu Li, Shuan Sun, Shuchen Yang, Hongbo Wu, Daogao Tu, Ganfeng Li, Song Yan, Hai-Le Zuo, Liang |
| contents | Microstructure uniformity of the Al-Nd target materials with Al11Nd3 significantly affects the performance of the fabricated film, which is widely used as wiring material in largesize thin-film transistor liquid crystal display (TFT-LCD) panels. Understanding the inherent mechanical properties and chemical bonds of Al11Nd3 is crucial for homogenizing the Al-Nd target. Here, by a combined experimental and ab-initio theoretical study, the microstructure and deformability of the Al-3wt%Nd alloy and the inherent mechanical properties and chemical bonds of Al11Nd3 are investigated comprehensively. The Al-3wt%Nd alloy is composed of the pre-eutectic α-Al matrix and the eutectic α-Al and a high stable α-Al11Nd3 phases. During the plastic deformation, the eutectic microstructure transforms from a cellular to a lamellar shape, while the morphology and dimension of α-Al11Nd3 are not changed significantly. By examining ideal tensile strength, elastic moduli, hardness and brittleness-ductility, the hardnessbrittleness of α-Al11Nd3 is quantitatively evaluated, accounting for its difficulties of plastic deformation and fragmentation. Combining band structure, population analysis, topological analysis and crystal orbital Hamilton population, it is revealed that α-Al11Nd3 possesses two types of chemical bonds: the Nd-Al and Al-Al bonds. The former is a typical ionic bond with electron transfer from Nd to Al, while the latter, dominated by both 3s-3p and 3p-3p interactions, is a weak covalent bond. The mixed chemical bond is responsible for the high hardness-brittleness of α-Al11Nd3. This work is expected to lay a foundation for Al-Nd alloy and catalyze the fabrication of high-quality Al-Nd target materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2404_18050 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Deformability, inherent mechanical properties and chemical bonding of Al11Nd3 in Al-Nd target material Wang, Xue-Qian Song, Run-Xin Guan, Xu Li, Shuan Sun, Shuchen Yang, Hongbo Wu, Daogao Tu, Ganfeng Li, Song Yan, Hai-Le Zuo, Liang Materials Science Microstructure uniformity of the Al-Nd target materials with Al11Nd3 significantly affects the performance of the fabricated film, which is widely used as wiring material in largesize thin-film transistor liquid crystal display (TFT-LCD) panels. Understanding the inherent mechanical properties and chemical bonds of Al11Nd3 is crucial for homogenizing the Al-Nd target. Here, by a combined experimental and ab-initio theoretical study, the microstructure and deformability of the Al-3wt%Nd alloy and the inherent mechanical properties and chemical bonds of Al11Nd3 are investigated comprehensively. The Al-3wt%Nd alloy is composed of the pre-eutectic α-Al matrix and the eutectic α-Al and a high stable α-Al11Nd3 phases. During the plastic deformation, the eutectic microstructure transforms from a cellular to a lamellar shape, while the morphology and dimension of α-Al11Nd3 are not changed significantly. By examining ideal tensile strength, elastic moduli, hardness and brittleness-ductility, the hardnessbrittleness of α-Al11Nd3 is quantitatively evaluated, accounting for its difficulties of plastic deformation and fragmentation. Combining band structure, population analysis, topological analysis and crystal orbital Hamilton population, it is revealed that α-Al11Nd3 possesses two types of chemical bonds: the Nd-Al and Al-Al bonds. The former is a typical ionic bond with electron transfer from Nd to Al, while the latter, dominated by both 3s-3p and 3p-3p interactions, is a weak covalent bond. The mixed chemical bond is responsible for the high hardness-brittleness of α-Al11Nd3. This work is expected to lay a foundation for Al-Nd alloy and catalyze the fabrication of high-quality Al-Nd target materials. |
| title | Deformability, inherent mechanical properties and chemical bonding of Al11Nd3 in Al-Nd target material |
| topic | Materials Science |
| url | https://arxiv.org/abs/2404.18050 |