IH Bell, S Delage-Santacreu, H Hoang… - The Journal of …, 2021 - ACS Publications
We propose a simple and generic definition of a demarcation reconciling structural and dynamic frameworks when combined with the entropy scaling framework. This crossover …
Physical systems can often be abstracted as large sets of point-like objects in space, with each point representing, for example, the position of an atom, colloidal particle, organism, or …
A popular Adam-Gibbs scenario has suggested that the excess entropy of glass and liquid over crystal dominates the dynamical arrest at the glass transition with exclusive contribution …
Recent advances in microscopy techniques make it possible to study the growth, dynamics, and response of complex biophysical systems at single-cell resolution, from bacterial …
This paper studies numerically the Weeks-Chandler-Andersen system, which is shown to obey hidden scale invariance with a density-scaling exponent that varies from below 5 to …
TJ Yoon, LA Patel, T Ju, MJ Vigil… - Physical Chemistry …, 2020 - pubs.rsc.org
Molecular dynamics (MD) simulations to understand the thermodynamic, dynamic, and structural changes in supercritical water across the Frenkel line and the melting line have …
JC Dyre - The Journal of Chemical Physics, 2020 - pubs.aip.org
This paper generalizes isomorph theory to systems that are not in thermal equilibrium. The systems are assumed to be R-simple, ie, to have a potential energy that as a function of all …
TJ Yoon, IH Bell - The Journal of Chemical Physics, 2024 - pubs.aip.org
Introduced by Pitzer in 1955, the acentric factor (ω) has been used to evaluate a molecule's deviation from the corresponding state principle. Pitzer devised ω based on a concept called …
A Saliou, P Jarry, N Jakse - Physical Review E, 2021 - APS
The relationship between excess entropy and diffusion is revisited by means of large-scale computer simulation combined to supervised learning approach to determine the excess …