期刊
NATURE MATERIALS
卷 13, 期 7, 页码 733-739出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/NMAT3977
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资金
- Japan Society for the Promotion of Science (JSPS)
- Aihara Project
- FIRST programme from JSPS
- Council for Science and Technology Policy (CSTP)
- JSPS short-term fellowship
- JSPS
- Grants-in-Aid for Scientific Research [21224011, 25000002] Funding Source: KAKEN
The homogeneous crystallization of water at low temperature is believed to occur through the direct nucleation of cubic (1,) and hexagonal (I-h) ices. Here, we provide evidence from molecular simulations that the nucleation of ice proceeds through the formation of a new metastable phase, which we name Ice 0. We find that Ice 0 is structurally similar to the supercooled liquid, and that on growth it gradually converts into a stacking of Ice I-c and I-h. We suggest that this mechanism provides a thermodynamic explanation for the location and pressure dependence of the homogeneous nucleation temperature, and that Ice 0 controls the homogeneous nucleation of low-pressure ices, acting as a precursor to crystallization in accordance with Ostwald's step rule of phases. Our findings show that metastable crystalline phases of water may play roles that have been largely overlooked.
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