Enhancing efficient computation of long-wavelength relaxation dynamics in a 2D liquid involving millions of particles
Abstract
<jats:title>Abstract</jats:title> <jats:p>Recently, a two-dimensional liquid cooled toward the glass transition was found to exhibit a <jats:italic>t</jats:italic> <jats:sup>−1</jats:sup> long-time tail in the velocity autocorrelation function (VACF) owing to the presence of long-wavelength fluctuations. To directly observe this power-law behaviour, it is necessary to simulate a large system with millions of particles, which is a challenging task from the computational viewpoint. In this study, to address this difficulty, I first show that this power-law tail can be reproduced by differentiating the finite-time diffusivity with respect to time. In addition, the feasibility of another direction, a direct on-the-fly computation of the VACFs utilizing GPGPUs, wherein VACFs are evaluated as the simulation runs, is also demonstrated. A performance benchmark was executed on Wisteria/BDEC-01 (Aquarius subsystem) supercomputer using a simulation code developed by the author, which enabled the direct computation of the VACF of 4 million particlesx for as long as the 10<jats:sup>8</jats:sup> simulation steps within 10 days.</jats:p>
Journal
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- Journal of Physics: Conference Series
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Journal of Physics: Conference Series 2207 (1), 012026-, 2022-03-01
IOP Publishing
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Details 詳細情報について
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- CRID
- 1360016861554537472
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- ISSN
- 17426596
- 17426588
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- Data Source
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- Crossref
- KAKEN