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

Francis W. Starr·Srikanth Sastry·Jack F. Douglas·Sharon C. Glotzer
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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 $ $ along a path of constant density and find that $ $ extrapolates to zero at the same temperature $T_0$ that the extrapolated relaxation time diverges. We relate $ $ to the Debye-Waller factor.

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Francis W. Starr, Srikanth Sastry, Jack F. Douglas, Sharon C. Glotzer. 2002-06-08. What do we learn from the local geometry of glass-forming liquids?. https://doi.org/10.1103/physrevlett.89.125501

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