Dynamical instability causes the demise of a supercooled tetrahedral liquid

DOI10.1007/S10955-017-1851-6zbMATH Open1373.82053arXiv1708.04222OpenAlexW3106540076MaRDI QIDQ1676565FDOQ1676565

Authors: Arvind Kumar Gautam, Nandlal Pingua, Aashish Goyal, Pankaj A. Apte 

Publication date: 9 November 2017

Published in: Journal of Statistical Physics (Search for Journal in Brave)

Abstract: We investigate the relaxation mechanism of a supercooled tetrahedral liquid at its limit of stability using isothermal isobaric ($NPT$) Monte Carlo (MC) simulations. In similarity with systems which are far from equilibrium but near the onset of jamming [O'Hern et.al., Phys. Rev. Lett. {�f 93}, 165702 (2004)], we find that the relaxation is characterized by two time-scales: the decay of long-wavelength (slow) fluctuations of potential energy is controlled by the the slope $[partial(G/N)/partialphi]$ of the Gibbs free energy ($G$) at a unique value of per particle potential energy $phi=ph{i}_{mid}$. The short-wavelength (fast) fluctuations are controlled by the bath temperature $T$. The relaxation of the supercooled liquid is initiated with a dynamical crossover after which the potential energy fluctuations are biased towards values progressively lesser than $ph{i}_{mid}$. The dynamical crossover leads to the change of time-scale, i.e., the decay of long-wavelength potential energy fluctuations (intermediate relaxation). Because of the condition [$partia{l}^2(G/N)/partialph{i}^2=0$] at $phi=ph{i}_{mid}$, the slope $[partial(G/N)/partialphi]$ has a unique value and governs the intermediate stage of relaxation, which ends just after the crossover. In the subsequent stage, there is a relatively rapid crystallization due to lack of long-wavelength fluctuations and the instability at $ph{i}_{mid}$, i.e., the condition that $G$ decreases as configurations with potential energies lower than $ph{i}_{mid}$ are accessed. The dynamical crossover point and the associated change in the time-scale of fluctuations is found to be consistent with the previous studies.

Full work available at URL: https://arxiv.org/abs/1708.04222

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zbMATH Keywords

jammingstability limitdynamical crossover

Mathematics Subject Classification ID

Dynamic and nonequilibrium phase transitions (general) in statistical mechanics (82C26) Statistical mechanics of liquids (82D15)

Cites Work

• The rise and fall of anomalies in tetrahedral liquids
• Nonmonotonic dependence of the absolute entropy on temperature in supercooled Stillinger-Weber silicon

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• Stability of a supercooled liquid to periodic density waves and dynamics of freezing
• Cooperative freezing of the L12 ordered domains at the critical cooling temperature of Ni₃Fe alloy
• A single saddle model for the  -relaxation in supercooled liquids
• The rise and fall of anomalies in tetrahedral liquids
• Bifurcation of translational and rotational non-Gaussian behaviors in two-dimensional liquid

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