Year: 2021
Author: Michele Caraglio, Lukas Schrack, Gerhard Jung, Thomas Franosch
Communications in Computational Physics, Vol. 29 (2021), Iss. 2 : pp. 628–648
Abstract
Within the mode-coupling theory (MCT) of the glass transition, we reconsider the numerical schemes to evaluate the MCT functional. Here we propose nonuniform discretizations of the wave number, in contrast to the standard equidistant grid, in order to decrease the number of grid points without losing accuracy. We discuss in detail how the integration scheme on the new grids has to be modified from standard Riemann integration. We benchmark our approach by solving the MCT equations numerically for mono-disperse hard disks and hard spheres and by computing the critical packing fraction and the nonergodicity parameters. Our results show that significant improvements in performance can be obtained employing a nonuniform grid.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.OA-2020-0125
Communications in Computational Physics, Vol. 29 (2021), Iss. 2 : pp. 628–648
Published online: 2021-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 21
Keywords: Glass transition mode coupling theory
Author Details
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Tagged-particle motion in quasi-confined colloidal hard-sphere liquids
Schrack, Lukas
Petersen, Charlotte F
Caraglio, Michele
Jung, Gerhard
Franosch, Thomas
Journal of Statistical Mechanics: Theory and Experiment, Vol. 2021 (2021), Iss. 4 P.043301
https://doi.org/10.1088/1742-5468/abee23 [Citations: 0]