Decomposition of general grain boundaries
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866916944021553152 |
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| author | Wan, Wei Deng, Junwen Tang, Changxin |
| author_facet | Wan, Wei Deng, Junwen Tang, Changxin |
| contents | As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting differential Peach-Koehler forces on its disconnections. Molecular dynamics simulation is used to reveal the disconnection mechanisms and direction-dependent motion behaviors associated with the reversible decomposition of a nickel Σ7 general GB. We also observed a decomposition-like process in a high-energy diffraction microscopy (HEDM) dataset of high purity nickel polycrystal (Science 2021, 374, 189-193), and performed HEDM-data-based simulations to confirm it. The decomposition should be considered as a new GB kinetic behavior, based on its particularity and potential universality. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2507_00759 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Decomposition of general grain boundaries Wan, Wei Deng, Junwen Tang, Changxin Materials Science Computational Physics As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting differential Peach-Koehler forces on its disconnections. Molecular dynamics simulation is used to reveal the disconnection mechanisms and direction-dependent motion behaviors associated with the reversible decomposition of a nickel Σ7 general GB. We also observed a decomposition-like process in a high-energy diffraction microscopy (HEDM) dataset of high purity nickel polycrystal (Science 2021, 374, 189-193), and performed HEDM-data-based simulations to confirm it. The decomposition should be considered as a new GB kinetic behavior, based on its particularity and potential universality. |
| title | Decomposition of general grain boundaries |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2507.00759 |