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

机译:高密度液体和低密度非晶相之间承压水中的一阶跃迁

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摘要

Supercooled water and amorphous ice have a rich metastable phase behaviour. In addition to transitions between high- and low-density amorphous solids, and between high- and low-density liquids, a fragile-to-strong liquid transition has recently been proposed, and supported by evidence from the behaviour of deeply supercooled bilayer water confined in hydrophilic slit pores. 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 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, liquid carbon and liquid phosphorus.
机译:过冷的水和非晶态冰具有丰富的亚稳态相行为。除了高密度和低密度无定形固体之间以及高密度和低密度液体之间的过渡之外,最近还提出了脆弱到强液体的过渡,并得到了深度过冷双层水约束行为的证据支持。在亲水性狭缝孔中。在这里,我们从分子动力学模拟中报告了另一种类型的一阶相变(液体到双层非晶态转变)的证据,该相变高于大气压下冻结水的温度。仅当水被限制在宽度小于一纳米的疏水狭缝孔中时,才会发生这种转变。在冷却时,具有不完善的随机氢键网络的承压水转变为具有完美网络的双层非晶相(由于形成了各种氢键多边形),但没有长程有序。该转变与在四面体配位物质(例如液态硅,液态碳和液态磷)中观察到的特征具有某些共同特征。

著录项

  • 来源
    《Nature》 |2000年第6812期|p.564-567|共4页
  • 作者单位
  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 自然科学总论;
  • 关键词

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