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What Do We Learn From the Local Geometry of Glass-Forming Liquids?

Published

Author(s)

Francis W. Starr, Srikanth Sastry, Jack F. Douglas, S C. Glotzer

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 $\langle v_f \rangle$ along a path of constant density and find that $\langle v_f \rangle$ extrapolates to zero at the same temperature $T_0$ that the extrapolated relaxation time diverges. We relate $\langle v_f \rangle$ to the Debye-Waller factor.
Citation
Physical Review Letters
Volume
89
Issue
No. 12

Keywords

free volume, glass transion, inelastic, neutron scattering

Citation

Starr, F. , Sastry, S. , Douglas, J. and Glotzer, S. (2002), What Do We Learn From the Local Geometry of Glass-Forming Liquids?, Physical Review Letters, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=852078 (Accessed July 30, 2021)
Created September 1, 2002, Updated February 17, 2017