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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2310.15046 |
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| _version_ | 1866914982427361280 |
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| author | Mishra, Saswat Strachan, Alejandro |
| author_facet | Mishra, Saswat Strachan, Alejandro |
| contents | The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in single-element metals are well understood, several open questions remain regarding the crystallization of multi-principal component alloys. We use MD to model the crystallization of a five-element, equiatomic alloy modeled after CoCrCuFeNi upon cooling from the melt. Stochastic, homogeneous nucleation results in nuclei with a biased composition distribution, rich in Fe and Co. This deviation from the random sampling of the overall composition is driven by the internal energy and affects nuclei of a wide range of sizes, from tens of atoms all the way to super-critical sizes. This results in short range order and compositional gradients at nanometer scales. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2310_15046 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Preferential Composition during Nucleation and Growth in Multi-Principal Elements Alloys Mishra, Saswat Strachan, Alejandro Materials Science The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in single-element metals are well understood, several open questions remain regarding the crystallization of multi-principal component alloys. We use MD to model the crystallization of a five-element, equiatomic alloy modeled after CoCrCuFeNi upon cooling from the melt. Stochastic, homogeneous nucleation results in nuclei with a biased composition distribution, rich in Fe and Co. This deviation from the random sampling of the overall composition is driven by the internal energy and affects nuclei of a wide range of sizes, from tens of atoms all the way to super-critical sizes. This results in short range order and compositional gradients at nanometer scales. |
| title | Preferential Composition during Nucleation and Growth in Multi-Principal Elements Alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2310.15046 |