Finite-size effects in the diffusion dynamics of a glass-forming binary mixture with large size ratio
Abstract
Extensive molecular dynamics computer simulations of an equimolar, glass-forming AB mixture with a large size ratio are presented. While the large A particles show a glass transition around the critical density of mode-coupling theory ρc, the small B particles remain mobile with a relatively weak decrease in their self-diffusion coefficient DB with increasing density. Surprisingly, around ρc, the self-diffusion coefficient of species A, DA, also starts to show a rather weak dependence on density. We show that this is due to finite-size effects that can be understood from the analysis of the collective interdiffusion dynamics.
- Publication:
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Journal of Chemical Physics
- Pub Date:
- June 2022
- DOI:
- 10.1063/5.0090330
- arXiv:
- arXiv:2202.12189
- Bibcode:
- 2022JChPh.156x4501V
- Keywords:
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- Condensed Matter - Soft Condensed Matter
- E-Print:
- 10 pages, 8 figures