Attractive versus truncated repulsive supercooled liquids: The dynamics is encoded in the pair correlation function
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 …
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
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 …
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 …
the decrease in monomer friction in terms of excess entropy differences between different …
Ultrastable Metallic Glasses In Silico
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 …
glasses for which the swap Monte Carlo algorithm can produce highly stable equilibrium …
Ionic self-diffusion and the glass transition anomaly in aluminosilicates
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 …
undergoes a dynamical arrest. Usually, glass network modifiers (eg, Na2O) affect the …
Determination of onset temperature from the entropy for fragile to strong liquids
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 …
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 …
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 …
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
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 …
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
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 …
entropy at the pair level S c 2, which is primarily determined by the pair correlation function …