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| Format: | Preprint |
| Veröffentlicht: |
2024
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| Online-Zugang: | https://arxiv.org/abs/2406.12613 |
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| _version_ | 1866929390916468736 |
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| author | Li, Xin Gao, Wang Jiang, Qing |
| author_facet | Li, Xin Gao, Wang Jiang, Qing |
| contents | The relationship between grain size and yield strength of metals follows the Hall-Petch relationship σ = σ0 + kd^-0.5; however, the specific physical factors that affect the coefficients σ0 and k of this relationship remain unclear. Here we propose the intrinsic descriptors to determine the Hall-Petch relation across different metals and alloys. Inspired by the tight-binding theory, we find that σ0 strongly depends on the group and period number, the valence-electron number and electronegativity, while k is determined by the cohesive energy. Our framework establishes a predictive structure-property relationship for the size-dependent yield strength of various metals, and unravels that both the coefficients of the Hall-Petch relationship physically originate from the d-band properties. This novel correlation provides a new perspective for understanding the mechanical strength of metals, which is useful for the design of high-performance materials. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2406_12613 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Understanding the intrinsic framework of the Hall-Petch relationship of metals from the view of the electronic-structure level Li, Xin Gao, Wang Jiang, Qing Materials Science The relationship between grain size and yield strength of metals follows the Hall-Petch relationship σ = σ0 + kd^-0.5; however, the specific physical factors that affect the coefficients σ0 and k of this relationship remain unclear. Here we propose the intrinsic descriptors to determine the Hall-Petch relation across different metals and alloys. Inspired by the tight-binding theory, we find that σ0 strongly depends on the group and period number, the valence-electron number and electronegativity, while k is determined by the cohesive energy. Our framework establishes a predictive structure-property relationship for the size-dependent yield strength of various metals, and unravels that both the coefficients of the Hall-Petch relationship physically originate from the d-band properties. This novel correlation provides a new perspective for understanding the mechanical strength of metals, which is useful for the design of high-performance materials. |
| title | Understanding the intrinsic framework of the Hall-Petch relationship of metals from the view of the electronic-structure level |
| topic | Materials Science |
| url | https://arxiv.org/abs/2406.12613 |