Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: A comparative study using two different methods of entropy calculation

In polydisperse systems, describing the structure and any structural order parameter (SOP) is not trivial as it varies with the number of species we use to describe the system, M. Depending on the degree of polydispersity, there is an optimum value of M = M0 where we show that the mutual information of the system increases. However, surprisingly, the correlation between a recently proposed SOP and the dynamics is highest for M = 1. This effect increases with polydispersity. We find that the SOP at M = 1 is coupled with the particle size, σ, and this coupling increases with polydispersity and decreases with an increase in M. Careful analysis shows that at lower polydispersities, the SOP is a good predictor of the dynamics. However, at higher polydispersity, the dynamics is strongly dependent on σ. Since the coupling between the SOP and σ is higher for M = 1, it appears to be a better predictor of the dynamics. We also study the Vibrality, an order parameter independent of structural information. Compared to SOP, at high polydispersity, we find Vibrality to be a marginally better predictor of the dynamics. However, this high predictive power of Vibrality, which is not there at lower polydispersity, appears to be due to its stronger coupling with σ. Therefore, our study suggests that for systems with high polydispersity, the correlation of any order parameter and σ will affect the correlation between the order parameter and dynamics and need not project a generic predictive power of the order parameter.

show abstract

Slow dynamics in disordered materials across theory, experiments, and simulations

Gado

Liu

Royall

2023

The Journal of Chemical Physics

View full text Add to dashboard Cite

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: A comparative study using two different methods of entropy calculation

Abstract: Note: This paper is part of the JCP Special Topic on Slow Dynamics.

Cited by 6 publications

References 55 publications

Configurational entropy of self-propelled glass formers

Configurational entropy of self-propelled glass formers

Dynamic heterogeneity in polydisperse systems: A comparative study of the role of local structural order parameter and particle size

Slow dynamics in disordered materials across theory, experiments, and simulations

Contact Info

Product

Resources

About