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Research data supporting "Roughness spectroscopy of particle monolayer: Implications for spectral analysis of the monolayer image". B-spline representation of radial distribution function.

2022
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Dataset Description

The files contain knots and coefficients of third order (quadratic) B-spline representation approximating a radial distribution function (RDF). We calculated the function for a hard-disk monolayer generated with event-driven molecular dynamics, of surface coverage 0.85. Specifically, to produce the monolayer, we used the program PackLSD.64.x by Aleksandar Donev, available at https://cims.nyu.edu/~donev/Packing/PackLSD/Instructions.html. We started the simulation of 8.5E7 disks at the initial surface coverage of 0.1 to gradually increase their size. In the nml parameter file, we set the disk expansion rate parameter expansions_=0.001. Once the surface coverage achieved 0.85, we stopped the simulation. We generated 26 replicas of the big system with a constant area of square simulation box. For each replica, we first calculated the discrete RDF g(r) by counting disk pairs in narrow distance intervals of width dr = 1E-3 a, where a is the disk radius. In the narrow interval 3.9900 ≤ r ≤...

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