Attractive versus truncated repulsive supercooled liquids: The dynamics is encoded in the pair correlation function

FP Landes, G Biroli, O Dauchot, AJ Liu, DR Reichman - Physical Review E, 2020 - APS
We compare glassy dynamics in two liquids that differ in the form of their interaction
potentials. Both systems have the same repulsive interactions but one has also an attractive …

A comparative study of the correlation between the structure and the dynamics for systems interacting via attractive and repulsive potentials

M Sharma, MK Nandi… - The Journal of Chemical …, 2023 - pubs.aip.org
We present the study of the structure–dynamics correlation for systems interacting via
attractive Lennard-Jones (LJ) and its repulsive counterpart, the Weeks–Chandler–Andersen …

Predicting the mobility increase of coarse-grained polymer models from excess entropy differences

GG Rondina, MC Böhm… - Journal of Chemical …, 2020 - ACS Publications
We cast the acceleration of the dynamics of coarse-grained polymer models, or, conversely,
the decrease in monomer friction in terms of excess entropy differences between different …

Ultrastable Metallic Glasses In Silico

ADS Parmar, M Ozawa, L Berthier - Physical Review Letters, 2020 - APS
We develop a generic strategy and simple numerical models for multicomponent metallic
glasses for which the swap Monte Carlo algorithm can produce highly stable equilibrium …

Ionic self-diffusion and the glass transition anomaly in aluminosilicates

A Atila, S Ouaskit, A Hasnaoui - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The glass transition temperature (Tg) is the temperature after which a supercooled liquid
undergoes a dynamical arrest. Usually, glass network modifiers (eg, Na2O) affect the …

Determination of onset temperature from the entropy for fragile to strong liquids

A Banerjee, MK Nandi, S Sastry… - The Journal of …, 2017 - pubs.aip.org
In this paper, we establish a connection between the onset temperature of glassy dynamics
with the change in the entropy for a wide range of model systems. We identify the crossing …

Role of attractive forces in the relaxation dynamics of supercooled liquids

J Chattoraj, MP Ciamarra - Physical Review Letters, 2020 - APS
The attractive tail of the intermolecular interaction affects very weakly the structural
properties of liquids, while it affects dramatically their dynamical ones. Via the numerical …

Role of local order in anomalous ion diffusion: Interrogation through tetrahedral entropy of aqueous solvation shells

P Banerjee, B Bagchi - The Journal of Chemical Physics, 2020 - pubs.aip.org
Small rigid ions perturb the water structure around them significantly. At constant viscosity,
alkali cations (Li+, Na+, and so on) exhibit an anomalous non-monotonic dependence of …

Experimental determination of configurational entropy in a two-dimensional liquid under random pinning

I Williams, F Turci, JE Hallett, P Crowther… - Journal of Physics …, 2018 - iopscience.iop.org
A quasi two-dimensional colloidal suspension is studied under the influence of
immobilisation (pinning) of a random fraction of its particles. We introduce a novel …

Role of the pair correlation function in the dynamical transition predicted by mode coupling theory

MK Nandi, A Banerjee, C Dasgupta… - Physical Review Letters, 2017 - APS
In a recent study, we have found that for a large number of systems the configurational
entropy at the pair level S c 2, which is primarily determined by the pair correlation function …