A Generalized Nucleation Theory for Ice Crystallization
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arXiv
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| Main Authors: | , , , , , , , |
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| Format: | Preprint |
| Published: |
2023
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| _version_ | 1866908336869343232 |
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| author | Li, Maodong Huang, Yupeng Xia, Yijie Chen, Dechin Fan, Cheng Yang, Lijiang Gao, Yi Qin Yang, Yi Isaac |
| author_facet | Li, Maodong Huang, Yupeng Xia, Yijie Chen, Dechin Fan, Cheng Yang, Lijiang Gao, Yi Qin Yang, Yi Isaac |
| contents | Despite the simplicity of the water molecule, the kinetics of ice nucleation under natural conditions can be complex. We investigated spontaneously grown ice nuclei using all-atom molecular dynamics simulations and found significant differences between the kinetics of ice formation through spontaneously formed and ideal nuclei. Since classical nucleation theory can only provide a good description of ice nucleation in ideal conditions, we propose a generalized nucleation theory that can better characterize the kinetics of ice crystal nucleation in general conditions. This study provides an explanation on why previous experimental and computational studies have yielded widely varying critical nucleation sizes. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2306_05713 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | A Generalized Nucleation Theory for Ice Crystallization Li, Maodong Huang, Yupeng Xia, Yijie Chen, Dechin Fan, Cheng Yang, Lijiang Gao, Yi Qin Yang, Yi Isaac Soft Condensed Matter Chemical Physics Despite the simplicity of the water molecule, the kinetics of ice nucleation under natural conditions can be complex. We investigated spontaneously grown ice nuclei using all-atom molecular dynamics simulations and found significant differences between the kinetics of ice formation through spontaneously formed and ideal nuclei. Since classical nucleation theory can only provide a good description of ice nucleation in ideal conditions, we propose a generalized nucleation theory that can better characterize the kinetics of ice crystal nucleation in general conditions. This study provides an explanation on why previous experimental and computational studies have yielded widely varying critical nucleation sizes. |
| title | A Generalized Nucleation Theory for Ice Crystallization |
| topic | Soft Condensed Matter Chemical Physics |
| url | https://arxiv.org/abs/2306.05713 |