Colloidal hard spheres: Triumphs, challenges, and mysteries

CP Royall, P Charbonneau, M Dijkstra, J Russo… - Reviews of Modern …, 2024 - APS
The simplicity of hard spheres as a model system is deceptive. Although the particles
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …

Elementary vibrational model for transport properties of dense fluids

SA Khrapak - Physics Reports, 2024 - Elsevier
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations
of atoms around their temporary equilibrium positions dominate the dynamical picture. The …

Excess entropy and Stokes-Einstein relation in simple fluids

SA Khrapak, AG Khrapak - Physical Review E, 2021 - APS
The Stokes-Einstein (SE) relation between the self-diffusion and shear viscosity coefficients
operates in sufficiently dense liquids not too far from the liquid-solid phase transition. By …

Dynamic crossover in fluids: From hard spheres to molecules

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 …

[HTML][HTML] Structural and thermodynamic properties of hard-sphere fluids

A Santos, SB Yuste, M López de Haro - The Journal of Chemical …, 2020 - pubs.aip.org
This Perspective article provides an overview of some of our analytical approaches to the
computation of the structural and thermodynamic properties of single-component and …

[HTML][HTML] Dynamical behavior and transport coefficients of the pseudo hard-sphere fluid

LA Nicasio-Collazo, CA Ramírez-Medina… - Physics of …, 2023 - pubs.aip.org
In this work, we employ a recent approach to characterize the hard-sphere (HS) fluid by
means of a continuous interaction potential, commonly referred to as pseudo hard-sphere …

Departures from perfect isomorph behavior in Lennard-Jones fluids and solids

DM Heyes, D Dini, S Pieprzyk… - The Journal of Chemical …, 2023 - pubs.aip.org
Isomorphs are lines on a fluid or solid phase diagram along which the microstructure is
invariant on affine density scaling of the molecular coordinates. Only inverse power (IP) and …

Minima of shear viscosity and thermal conductivity coefficients of classical fluids

SA Khrapak, AG Khrapak - Physics of Fluids, 2022 - pubs.aip.org
The shear viscosity and thermal conductivity coefficients of various liquids exhibit minima
along certain trajectories on the phase diagram. These minima arise due to the crossover …

Stokes–Einstein relation without hydrodynamic diameter in the TIP4P/Ice water model

SA Khrapak, AG Khrapak - The Journal of Chemical Physics, 2023 - pubs.aip.org
It is demonstrated that self-diffusion and shear viscosity data for the TIP4P/Ice water model
reported recently [Baran et al., J. Chem. Phys. 158, 064503 (2023)] obey the microscopic …

Freezing temperature and density scaling of transport coefficients

SA Khrapak, AG Khrapak - The Journal of Physical Chemistry …, 2022 - ACS Publications
It is demonstrated that the freezing density scaling of transport coefficients in fluids, similar to
the freezing temperature scaling, originates from the quasi-universal excess entropy scaling …