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Aude Y. Amari

Publications and source records attributed to Aude Y. Amari.

2 recordsLinked to original sources

Property-dependent material times

We analyze simulations of physical aging following large temperature up-jumps from equilibrated, slowly relaxing states. Specifically, we consider up-jumps from temperatures T=0.43 and T=0.37 to T=0.48 in a binary Lennard-Jones mixture. The Tool-Narayanaswamy (TN) concept of a universal material time was recently shown to become less effective in rationalizing the aging response for such large jumps [Amari et al., Phys. Rev. E 113, 045411 (2026)]. Here, we investigate whether the performance of the TN formalism can be improved by assigning a separate material time to each observable. We examine the potential-energy time-autocorrelation function, the self-intermediate scattering function, and the time-dependent mean-square displacement. As part of this study, we perform a detailed analysis of the extent to which the triangular relation, a necessary condition for the existence of a material time, is satisfied. We find that, for all three properties, the best data collapse is obtained when each property is parameterized by its own material time. The degree of improvement varies considerably among the observables, however; it is most pronounced for the mean-square displacement.

cond-mat.soft↗

Large temperature-up-jump simulations of a binary Lennard-Jones system

This paper presents simulations of the physical aging of a binary Kob-Andersen-type Lennard-Jones liquid following large temperature up-jumps from equilibrated states of high relaxation time. The purpose is to investigate how well the Tool-Narayanaswamy (TN) material-time concept works for this rather extreme case of aging. First the triangular relation of the potential energy is investigated. This is found to be well obeyed, making it possible to define a potential-energy-based material time $ξ$. We proceed to study aging toward equilibrium at the final temperature 0.48 for jumps from the two temperatures 0.43 and 0.37 (primarily), monitoring the following five quantities: the potential energy, the self-intermediate scattering function, the mean-square displacement, the dynamic susceptibility $χ_4$, and the non-Gaussian parameter $α_2$. The TN material-time prediction is that all time-autocorrelation functions should collapse to only depend on the material-time difference $ξ_2-ξ_1$. This is found to work better for the $0.43\to 0.48$ temperature jump than for the $0.37\to 0.48$ jump. Our findings thus confirm the general understanding that the TN aging formalism works best for systems that are never very far from equilibrium. This raises two questions for future work: Is the collapse significantly improved if each aging quantity is allowed its own material time? Can better collapse be obtained if the material-time is generalized to be locally defined (in order to reflect dynamic heterogeneity)?

cond-mat.soft↗