期刊
MOLECULAR PHYSICS
卷 117, 期 20, 页码 2881-2888出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268976.2019.1593532
关键词
premelting; confined water; grain boundary; monolayer ice
资金
- Fundamental Research Funds for the Central Universities
- Chinese National Science Foundation [11504110, 11874147]
- Large Instruments Open Foundation of East China Normal University (ECNU)
We employ molecular-dynamics (MD) simulations to study grain boundary (GB) premelting in ices confined in two-dimensional hydrophobic nano-channels. Premelting transitions are observed in symmetric tilt GBs in monolayer ices and involve the formation of a premelting band of liquid phase water with a width that grows logarithmically as the melting temperature is approached from below, consistent with the existing theory of GB premelting. The premelted GB is found rough for a broad range of temperature below the melting temperature, the two ice-premelt interfaces bounding the melted GB are engaged with long wave-length parallel coupled fluctuations. Based on current MD simulation study, one may expect GB premelting transitions exist over a wide range of low dimensional phases of confined ice and shows important consequences for crystal growth of low dimensional ices. [GRAPHICS]
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