ARTICLE
TITLE

Polyamorphism and Two State Model in Liquid GeO2_{2} under Compression: Insight from Visualization of Molecular Dynamics Data

SUMMARY

The polyamorphism and two-state model based on the coordination number distribution in liquid GeO2_{2} at 3200~K and in a wide pressure range are investigated by molecular dynamics simulation. Results show that the structure of liquid GeO2_{2} mainly consists of GeOx_{x} coordination units (x=4,5,6)(x=4,5,6) and OGey_{y} linkages (y=2,3)(y=2, 3). The distribution of OGey_{y} linkages in network structure is not uniform but tends to form clusters of OGey_{y}. The cluster of OGe2_{2} will form low-density phase region, conversely the cluster of OGe3_{3} will form high-density phase region. In other word, under compression, in the liquid GeO2_{2} coexist two states: low-density and high-density. The size of phase regions significantly depends on compression.

KEYWORDS

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