Research data supporting "Roughness spectroscopy of particle monolayer: Implications for spectral analysis of the monolayer image". Replicas of small system.

Published: 30 May 2022| Version 1 | DOI: 10.17632/33vhjk8wnt.1
Contributors:
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Description

The 10 files attached are output packing files obtained with 2D event-driven molecular dynamics for hard-disk monolayers of surface coverage 0.85. Specifically, to produce the hard disk systems, we used the program PackLSD.64.x by Aleksandar Donev, available at https://cims.nyu.edu/~donev/Packing/PackLSD/Instructions.html. We started the simulations of 2138 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. The output file format is described on the web page https://cims.nyu.edu/~donev/Packing/PackLSD/Instructions.html. On this website, you can also find programs for numerical analysis or visualization of the systems. The files mostly contain hard disk coordinates on the area of a square of unit side. Because of the simple, two-column ASCII format of the files, they can serve as input files for many other programs. See, e.g., the calculations of power spectral density of the systems, described in the paper: P. Weroński & K. Pałka, "Roughness spectroscopy of particle monolayer: Implications for spectral analysis of the monolayer image", Measurement 196 (2022) 111263.

Files

Steps to reproduce

Programs for numerical analysis or visualization of the systems can be downloaded from the web page https://cims.nyu.edu/~donev/Packing/PackLSD/Instructions.html. At this website, you can also find a description of the output file format. The files mostly contain hard disk coordinates on the area of a square of unit side. Because of the simple, two-column ASCII format of the files, many other programs can also be used, perhaps after a minor modification of the files.

Institutions

Polska Akademia Nauk Instytut Katalizy i Fizykochemii Powierzchni

Categories

Computer Simulation, Particle Packing, Surface Chemistry, Molecular Dynamics of Particle Systems, Equilibrium Statistical Mechanics

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