Finite-size effects in the diffusion dynamics of a glass-forming binary mixture with large size ratio

V Vaibhav and J Horbach and P Chaudhuri, JOURNAL OF CHEMICAL PHYSICS, 156, 244501 (2022).

DOI: 10.1063/5.0090330

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 rho(c), the small B particles remain mobile with a relatively weak decrease in their self-diffusion coefficient D-B with increasing density. Surprisingly, around rho(c), the self-diffusion coefficient of species A, D-A, 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.

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