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 …

We present diffusion coefficient and shear viscosity data for the Lennard-Jones fluid along
nine isochores above the critical density, each involving a temperature variation of roughly …

Revised thermodynamic and dynamical properties of the hard sphere (HS) system are
obtained from extensive molecular dynamics calculations carried out with large system sizes …

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 …

A freezing density scaling of transport properties of the Lennard-Jones fluid is rationalized in
terms of Rosenfeld's excess entropy scaling and isomorph theory of Roskilde-simple …

Using molecular simulations and a modified classical nucleation theory, we study the
nucleation, under flow, of a variety of liquids: different water models, Lennard-Jones, and …

ABSTRACT In this Research Note the Zwanzig's formulation of the Stokes–Einstein (SE)
relation for simple atomistic fluids is re-examined. It is shown that the value of the coefficient …

Unlike crystalline solids or ideal gases, transport properties remain difficult to describe from
a microscopic point of view in liquids, whose dynamics result from complex energetic and …

A practical correction formula relating the self-diffusion coefficient of dense liquids from
molecular dynamics (MD) simulations with periodic boundary conditions to the self-diffusion …

Application of a vibrational model of heat transfer to a fluid made of hard spheres is
discussed. The model was originally proposed to describe heat conduction in fluids with soft …