Related papers: Static dielectric properties of dense ionic fluids
Antiferroelectric liquid crystals can be considered as a promising alternative to nematic mixtures in the area of microdisplays. Switching behaviour of the molecules has been modelled as two adjacent smectic layers. However, some studies…
The molecular theory of Rayleigh light scattering in dense isotropic polar fluids is reconsidered by suitably adapting local field concepts of electrostatics to propagating electromagnetic waves, hence accounting for both the rotational and…
The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities,…
We investigate the variation of the driving force for crystallization of a supercooled liquid along isomorphs, curves along which structure and dynamics are invariant. The variation is weak, and can be predicted accurately for the…
We use molecular dynamics simulations of a simple model to show that dispersions of slightly elongated colloidal particles with long-range dipolar interactions, like ferrofluids, can form a physical (reversible) gel at low volume fractions.…
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we…
The static dielectric constant of liquid water is computed using classical force field based molecular dynamics simulation at fixed electric displacement D. The method to constrain the electric displacement is the finite temperature…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
Machine learned interatomic potentials (MLIPs) have enabled atomistic simulations with ab initio accuracy for a fraction of the computational cost. However, many widely used MLIPs are short-ranged and do not accurately capture long-ranged…
Aqueous solid-liquid interfaces (SLI) are ubiquitous in nature and technology, often hosting molecular-level processes with macroscopic consequences. Molecular dynamics (MD) simulations offer a tool of choice to investigate interfacial…
The movement of ionic solutions is an essential part of biology and technology. Fluidics, from nano- to micro- to microfluidics, is a burgeoning area of technology which is all about the movement of ionic solutions, on various scales. Many…
Rheological properties of dense flows of hard particles are singular as one approaches the jamming threshold where flow ceases, both for aerial granular flows dominated by inertia, and for over-damped suspensions. Concomitantly, the…
Gas-liquid criticality in ionic fluids is studied in exactly soluble spherical models that use interlaced sublattices to represent hard-core \textit{multi}component systems. Short range attractions in the uncharged fluid drive criticality…
Water inherently contains trace amounts of various salts, yet the microscopic processes by which salts influence some of its physical properties remain elusive. Notably, the mechanisms that reduce the dielectric constant of water upon salt…
Statistical theory of the dielectric susceptibility of polar liquid crystals is proposed. The molecules are calamitic or bent-core but the permanent dipole moment is perpendicular to the molecule long axis. The ordering of the phase is…
Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate success. We uncover unusual mutual polarizability of C60 fullerene and selected room-temperature ionic liquids (RTILs), which can be applied in…
The statistical properties of ions in two-dimensional fully developed turbulence have been compared between two different numerical algorithms. In particular, we compare Hybrid Particle In Cell (hybrid PIC with fluid electrons) and full PIC…
The effective dynamically screened potential of a classical ion in a stationary flowing quantum plasma at finite temperature is investigated. This is a key quantity for thermodynamics and transport of dense plasmas in the warm dense matter…
We study the decay of the interatomic force constants (equivalently, the smoothness properties of the dynamical matrix) in perfect crystals both at finite electronic temperature, and for insulators at zero temperature, within the reduced…
The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…