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Figure 13
Simulated transmission photography using fixed wavelength [\lambda = 0.4\sigma] (a), (c) and structure factor S(q) (b), (d) of a static glass sample (a), (b) and a thermally averaged liquid sample (c), (d). Red solid rings in the photographs correspond to the first and second peaks in S(q). The cross pattern at the center of each photograph is due to Fraunhofer diffraction from the small simulation box, effectively a cubic obstacle. Three methods are used to compute S(q): with [{\bf q}]s on a cubic lattice (green circles), with [{\bf q}]s on spheres (blue dotted line) and Debye's scattering equation (red solid line). Insets show the radial distribution function g(r). Both samples are N = 1000 hard spheres of diameter σ. The glass sample has one configuration at packing fraction 0.64. The liquid sample has 1000 thermally equilibrated configurations at packing fraction [\pi/6 = 0.5236].

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 2| April 2021| Pages 644-660
https://doi.org/10.1107/S1600576721001965
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