Perspective: Crossing the Widom line in no man's land: Experiments, simulations, and the location of the liquid-liquid critical point in supercooled water
Perspective: Crossing the Widom line in no man's land: Experiments, simulations, and the location of the liquid-liquid critical point in supercooled water
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DOI：
10.1063/1.5046687
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发表时间：
2018-10-14
影响因子：
4.4
通讯作者：
Skinner, J. L.
中科院分区：
文献类型：
--
作者：
Hestand, Nicholas J.;Skinner, J. L.
液态水异常行为的起源一直是人们感兴趣和争论不休的话题。一种可能的解释是液-液临界点假说，该假说认为过冷水在低温高压下分离成两种不同的液体。根据这一假设，液态水的异常可以追溯到与这种相分离相关的临界点。如果这样的临界点确实存在，它位于相图中被称为无人区(NML)的区域，在该区域，由于快速结晶，很难使用传统的实验技术来表征液体。然而，最近，实验者成功地探索了Widom线(即Kanno-Angell线)附近的NML，从而提供了关于液-液临界点假说的有价值的信息。从这个角度出发，我们结合基于E3B3水模型的分子动力学模拟，分析了这些实验结果，并讨论了它们对液-液临界点假说的有效性以及水的第二临界点的可能位置的影响。由AIP出版公司出版。
The origin of liquid water's anomalous behavior continues to be a subject of interest and debate. One possible explanation is the liquid-liquid critical point hypothesis, which proposes that supercooled water separates into two distinct liquids at low temperatures and high pressures. According to this hypothesis, liquid water's anomalies can be traced back to the critical point associated with this phase separation. If such a critical point actually exists, it is located in a region of the phase diagram known as No Man's Land (NML), where it is difficult to characterize the liquid using conventional experimental techniques due to rapid crystallization. Recently, however, experimentalists have managed to explore NML near the proposed location of the Widom line (i.e., the Kanno-Angell line), thereby providing valuable information concerning the liquid-liquid critical point hypothesis. In this perspective, we analyze these experimental results, in conjunction with molecular dynamics simulations based on the E3B3 water model and discuss their implications for the validity of the liquid-liquid critical point hypothesis and the possible location of water's second critical point. Published by AIP Publishing.