The structural difference between strong and fragile liquids

被引:4
|
作者
Sun, Gang [1 ,2 ]
Li, Linwei [1 ]
Harrowell, Peter [1 ]
机构
[1] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia
[2] Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, 4-6-1 Komaba, Meguro Ku, Tokyo 1538505, Japan
来源
基金
澳大利亚研究理事会;
关键词
Amorphous solidification; Amorphous structure; Fragility; Computer simulation; SUPERCOOLED LIQUIDS; SILICA; SIMULATION;
D O I
10.1016/j.nocx.2021.100080
中图分类号
TQ174 [陶瓷工业]; TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
A structural order parameter for disordered configurations is defined, based, not on local topologies, but on the degree of local restraint imposed on each atom. This restraint parameter provides a clear distinction between a strong liquid (SiO2) and a fragile liquid (a binary Lennard-Jones mixture) without reference to dynamics. Where the fragile liquid exhibits an abrupt transition from unrestrained to restrain below the melting point, molten silica is highly constrained even at equilibrium. We determine the temperature dependence of the average number of particles restrained per pinned particle and consider the feature of the potential energy landscape responsible for determining the fragility.
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页数:5
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