Excess-entropy scaling in supercooled binary mixtures
Transport coefficients, such as viscosity or diffusion coefficient, show significant dependence
on density or temperature near the glass transition. Although several theories have been …
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
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 …
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
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 …
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 …
systems. Despite their potential merits, the impacts of entropy on thermodynamics and …
Effective structure of a system with continuous polydispersity
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 …
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 …
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 …
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 …
energy is evaluated by means of the thermodynamic integration technique, and it is also …
[PDF][PDF] Diffusion-Entropy Scaling in a Deterministic Hamiltonian System
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 …
and entropy. To test its validity, we study three deterministic systems,(a) the motion of a …