Water-like anomalies as a function of tetrahedrality

被引:65
|
作者
Russo, John [1 ,2 ]
Akahane, Kenji [1 ]
Tanaka, Hajime [1 ]
机构
[1] Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo 1538505, Japan
[2] Univ Bristol, Sch Math, Bristol BS8 1TW, Avon, England
基金
欧洲研究理事会;
关键词
tetrahedral liquids; water's anomalies; water-like liquids; two-state model; modified Stillinger-Weber potential; SUPERCOOLED WATER; THERMODYNAMIC PROPERTIES; DYNAMIC CROSSOVER; CONFINED WATER; LIQUID; ORDER; MODEL; PRESSURE; CRYSTALLIZATION; EXPLANATION;
D O I
10.1073/pnas.1722339115
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
Tetrahedral interactions describe the behavior of the most abundant and technologically important materials on Earth, such as water, silicon, carbon, germanium, and countless others. Despite their differences, these materials share unique common physical behaviors, such as liquid anomalies, open crystalline structures, and extremely poor glass-forming ability at ambient pressure. To reveal the physical origin of these anomalies and their link to the shape of the phase diagram, we systematically study the properties of the Stillinger-Weber potential as a function of the strength of the tetrahedral interaction lambda. We uncover a unique transition to a reen-trant spinodal line at low values of lambda, accompanied with a change in the dynamical behavior, from non-Arrhenius to Arrhenius. We then show that a two-state model can provide a comprehensive understanding on how the thermodynamic and dynamic anomalies of this important class of materials depend on the strength of the tetrahedral interaction. Our work establishes a deep link between the shape of the phase diagram and the thermodynamic and dynamic properties through local structural ordering in liquids and hints at why water is so special among all substances.
引用
收藏
页码:E3333 / E3341
页数:9
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