Excess-entropy scaling in supercooled binary mixtures

IH Bell, JC Dyre, TS Ingebrigtsen - Nature communications, 2020 - nature.com
Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence
on density or temperature near the glass transition. Although several theories have been …

Study of entropy–diffusion relation in deterministic Hamiltonian systems through microscopic analysis

S Acharya, B Bagchi - The Journal of Chemical Physics, 2020 - pubs.aip.org
Although an intimate relation between entropy and diffusion has been advocated for many
years and even seems to have been verified in theory and experiments, a quantitatively …

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

UK Nandi, P Patel, M Moid, MK Nandi… - The Journal of …, 2022 - pubs.aip.org
A recent study introduced a novel mean-field model system where each particle over and
above the interaction with its regular neighbors interacts with k extra pseudo-neighbors …

Entropy-regulated electrolytes for improving Zn2+ dynamics and Zn anodes reversibility

J Hong, M Qiu, Y Liang, Y Liu, J Chen, P Sun… - Applied Physics …, 2024 - pubs.aip.org
Entropy-regulated electrolytes exhibit improved performance exceeding traditional liquid
systems. Despite their potential merits, the impacts of entropy on thermodynamics and …

Effective structure of a system with continuous polydispersity

P Patel, MK Nandi, UK Nandi… - The Journal of …, 2021 - pubs.aip.org
In a system of N particles, with continuous size polydispersity, there exists an N (N− 1)
number of partial structure factors, making it analytically less tractable. A common practice is …

Energy landscapes for a modified repulsive Weeks–Chandler–Andersen potential

A Banerjee, DJ Wales - Journal of Physics: Condensed Matter, 2021 - iopscience.iop.org
The short-range nature of the repulsive Weeks–Chandler–Anderson (WCA) potential can
create free particles/rattlers in a condensed system. The presence of rattlers complicates the …

[HTML][HTML] Finite-size excess-entropy scaling for simple liquids

M Sevilla, A Banerjee, R Cortes-Huerto - The Journal of Chemical …, 2023 - pubs.aip.org
Explicit and implicit size effects in computer simulations result from considering systems with
a fixed number of particles and periodic boundary conditions, respectively. We investigate …

Free energy and entropy of a dipolar liquid by computer simulations

R Palomar, G Sesé - The Journal of Chemical Physics, 2018 - pubs.aip.org
Thermodynamic properties for a system composed of dipolar molecules are computed. Free
energy is evaluated by means of the thermodynamic integration technique, and it is also …

[PDF][PDF] Diffusion-Entropy Scaling in a Deterministic Hamiltonian System

S Acharya, B Bagchi - academia.edu
We present a microscopic derivation of an exponential scaling relation between diffusion
and entropy. To test its validity, we study three deterministic systems,(a) the motion of a …