- Stable glassy configurations of the Kob-Andersen model using swap Monte Carlo doi link

Auteur(s): Parmar A. D. S., Guiselin B., Berthier L.

(Article) Publié: The Journal Of Chemical Physics, vol. p.134505 (2020)
Texte intégral en Openaccess : arxiv

Ref HAL: hal-02986292_v1
Ref Arxiv: 2006.10377
DOI: 10.1063/5.0020208
Ref. & Cit.: NASA ADS
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The swap Monte Carlo algorithm allows the preparation of highly stable glassy configurations for a number of glass-formers, but is inefficient for some models, such as the much studied binary Kob-Andersen (KA) mixture. We have recently developed generalisations to the KA model where swap can be very effective. Here, we show that these models can in turn be used to considerably enhance the stability of glassy configurations in the original KA model at no computational cost. We successfully develop several numerical strategies both in and out of equilibrium to achieve this goal and show how to optimise them. We provide several physical measurements indicating that the proposed algorithms considerably enhance mechanical and thermodynamic stability in the KA model, including a transition towards brittle yielding behaviour. Our results thus pave the way for future studies of stable glasses using the KA model.