First-order transition in confined water between high-density liquid and low-density amorphous phases

被引:302
作者
Koga, K [1 ]
Tanaka, H
Zeng, XC
机构
[1] Fukuoka Univ Educ, Dept Chem, Fukuoka 8114192, Japan
[2] Okayama Univ, Dept Chem, Okayama 7008530, Japan
[3] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA
[4] Univ Nebraska, Ctr Mat & Anal, Lincoln, NE 68588 USA
关键词
D O I
10.1038/35046035
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Supercooled water and amorphous ice have a rich metastable phase behaviour. In addition to transitions between high- and low-density amorphous solids(1,2), and between high- and low-density liquids(3-8), a fragile-to-strong liquid transition has recently been proposed(9,10), and supported by evidence from the behaviour of deeply supercooled bilayer water confined in hydrophilic slit pores(11). Here we report evidence from molecular dynamics simulations for another type of first-order phase transition-a liquid-to-bilayer amorphous transition-above the freezing temperature of bulk water at atmospheric pressure. This transition occurs only when water is confined in a hydrophobic slit pore(12-14) with a width of less than one nanometre. On cooling, the confined water, which has an imperfect random hydrogen-bonded network, transforms into a bilayer amorphous phase with a perfect network (owing to the formation of various hydrogen-bonded polygons) but no long-range order. The transition shares some characteristics with those observed in tetrahedrally coordinated substances such as liquid silicon(15,16), liquid carbon(17) and liquid phosphorus(18).
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页码:564 / 567
页数:5
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