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What do we learn from the local geometry of glass-forming liquids?

Authors :
Jack F. Douglas
Srikanth Sastry
Francis W. Starr
Sharon C. Glotzer
Source :
Physical review letters. 89(12)
Publication Year :
2002

Abstract

We examine the local geometry of a simulated glass-forming polymer melt. Using the Voronoi construction, we find that the distributions of Voronoi volume $P({v}_{V})$ and asphericity $P(a)$ appear to be universal properties of dense liquids, supporting the use of packing approaches to understand liquid properties. We also calculate the average free volume $⟨{v}_{f}⟩$ along a path of constant density and find that $⟨{v}_{f}⟩$ extrapolates to zero at the same temperature ${T}_{0}$ that the extrapolated relaxation time diverges. We relate $⟨{v}_{f}⟩$ to the Debye-Waller factor, which is measurable by neutron scattering.

Details

ISSN :
00319007
Volume :
89
Issue :
12
Database :
OpenAIRE
Journal :
Physical review letters
Accession number :
edsair.doi.dedup.....b81cce4a7879af7cf566cac8b13ee7a0