What Do We Learn From the Local Geometry of Glass-Forming Liquids?
Francis W. Starr, Srikanth Sastry, Jack F. Douglas, S C. Glotzer
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.
, Sastry, S.
, Douglas, J.
and Glotzer, S.
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)