A general structural order parameter for the amorphous solidification of a supercooled liquid

被引:4
|
作者
Sun, Gang [1 ]
Harrowell, Peter [1 ,2 ]
机构
[1] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia
[2] Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Meguro Ku, 4-6-1 Komaba, Tokyo 1538505, Japan
来源
JOURNAL OF CHEMICAL PHYSICS | 2022年 / 157卷 / 02期
基金
澳大利亚研究理事会;
关键词
DENSITY-FUNCTIONAL THEORY; MOLECULAR-DYNAMICS; GLASS; RELAXATION; MODES; EQUILIBRIUM; VISCOSITY; STATES;
D O I
10.1063/5.0094386
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The persistent problem posed by the glass transition is to develop a general atomic level description of amorphous solidification. The answer proposed in this paper is to measure a configuration's capacity to restrain the motion of the constituent atoms. Here, we show that the instantaneous normal modes can be used to define a measure of atomic restraint that accounts for the difference between fragile and strong liquids and the collective length scale of the supercooled liquid. These results represent a significant simplification of the description of amorphous solidification and provide a powerful systematic treatment of the influence of microscopic factors on the formation of an amorphous solid. Published under an exclusive license by AIP Publishing.
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页数:11
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