Related papers: Dielectric response as a source of viscosity in po…
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity, and thermal conductivity for 38 different dipolar two-center Lennard-Jones fluids along the bubble…
A relation between shear and dielectric spectra is derived for highly viscous liquids with a small rotational contribution $\Delta\epsilon$ to the dielectric constant. It is valid if the shear fluctuations and the electric dipole…
An exact integral formula for the Kirkwood correlation factor of isotropic polar fluids $g_K$ is derived from the equilibrium averaged rotational Dean equation, which as compared to previous approaches easily lends itself to further…
The surface of a polar liquid presents a special environment for the solvation and organization of charged solutes, which differ from bulk behaviors in important ways. These differences have motivated many attempts to understand…
The non-exponential shape of the $\alpha$-process observed in supercooled liquids is considered as one of the hallmarks of glassy dynamics and has thus been under study for decades, but is still poorly understood. For a polar van der Waals…
One century ago pioneering dielectric results obtained for water and n-alcohols triggered the advent of molecular rotation diffusion theory considered by Debye to describe the primary dielectric absorption in these liquids. Comparing…
We develop a series of approximations to calculate free energy of a polar liquid. We show that long range nature of dipole interactions between the molecules leads to para-electric state instability at low temperatures and to a second-order…
An iterative method for calculating the polar component of the solvation Gibbs energy under a smooth change in dielectric permittivity, both between a substrate and a solvent and in a solvent is formulated on the basis of a previously…
The dielectric response in relaxor ferroelectrics is analyzed in the framework a model for the polarization dynamics in the presence of polar clusters. We associate the origin of polar clusters with the atoms displaced from their…
We perform a causality analysis on the dispersion relation of hydrodynamics with spin well as shear and bulk viscosity, including the relaxation times for all these quantities. We find that the interplay of the three relaxational scales,…
A central question concerning glass-formation has been what governs the kinetic arrest of the quenched liquid - cooling reduces the thermal energy which molecules need to surmount local potential barriers, while the accompanying volume…
The dielectric response of nano-confined fluids is crucial across technologies and biological systems, yet its calculation and interpretation from molecular simulations are often muddled by unclear boundary conditions. We re-derive the…
Transport properties of dense fluids are fundamentally challenging, because the powerful approaches of equilibrium statistical physics cannot be applied. Polar fluids compound this problem, because the long-range interactions preclude the…
Diffusion of particles in complex fluids and gels is difficult to describe and often lies beyond the scope of the classical Stokes-Einstein relation. One of the main lines of research over the past few decades has sought to relate…
While deeply supercooled liquids exhibit divergent viscosity and increasingly heterogeneous dynamics as the temperature drops, their structure shows only seemingly marginal changes. Understanding the nature of relaxation processes in this…
The dielectric response of liquids reflects both, reorientation of single molecular dipoles and collective modes, i.e., dipolar cross-correlations. A recent theory predicts the latter to produce an additional slow peak in the dielectric…
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity,and thermal conductivity for 30 different quadrupolar two-center Lennard-Jones fluids along the bubble…
The non-exponential character of the structural relaxation is considered one of the hallmarks of the glassy dynamics and in this context, the singular shape observed by dielectric techniques has attracted the attention of the community for…
Advances in high-precision dielectric spectroscopy has enabled access to non-linear susceptibilities of polar molecular liquids. The observed non-monotonic behavior has been claimed to provide strong support for theories of dynamic arrest…
Dielectric relaxation of materials provides important information on the polarisation dynamics at different time scales. We study the dielectric relaxation of a nematic liquid crystal under steady rotational shear and simultaneously measure…