相关论文: Uncertainties in the Static Dielectric Constants c…
We apply the mode coupling theory (MCT) which was recently worked out for molecular liquids to a liquid of diatomic, rigid molecules. Using the static correlators from a molecular dynamics simulation, we have solved the MCT-equations for…
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,…
The dielectric permittivity of liquid water is a fundamental property that underlies its distinctive behaviors in numerious physical, biological, and chemical processes. Within a machine learning framework, we present a unified approach to…
This comment addresses discrepancies in dielectric constant calculations of water under extreme conditions (~10 GPa and 1000 K) between Fowler et al.'s recent study [Geochim. Cosmochim. Acta 372, 111-123 (2024)] and the earlier work by Pan…
In a recent article, Schild et al. present what they call an alternative approach to the determination of mean free paths of electron scattering in liquid water. This by no means new approach is based on a very simplistic two channel model…
The exchange contribution, $\Pi_1 ({\bf k}, 0)$, to the static dielectric function in the electron liquid is evaluated exactly. Expression for it is derived analytically in terms of one quadrature. The expression, as presented in Eq. (3) in…
So-called polar liquid crystals possess spontaneous long-range mutual orientation of their electric dipole moments, conferring bulk polarity to fluid phases of matter. The combination of polarity and fluidity leads to complex phase…
The driving of vibrational motion by external electric fields is a topic of continued interest, due to the possibility of assessing new or metastable material phases with desirable properties. Here, we combine ab initio molecular dynamics…
Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR…
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…
A linear gyrokinetic particle-in-cell scheme, which is valid for arbitrary perpendicular wavelength $k_\perp\rho_i$ and includes the parallel dynamic along the field line, is developed to study the local electrostatic drift modes in point…
We derive expressions for determination of the stress and the elastic constants in systems composed of particles interacting via non-central two-body potentials as thermal averages of products of first and second partial derivatives of the…
Complex electrical permittivity measurements in (1-x)[Pb(Mg1/3 Nb2/3)O3]-xPbTiO3 ceramics for 0.10 x 0.40 were performed in the frequency and temperature range from 1 kHz to 100 kHz and from 15 to 600 K, respectively. Unexpected dielectric…
Electric dipoles of water molecules, enclosed singly in regularly spaced nanopores of a cordierite crystal, become ordered at low temperature due to their mutual interaction and show the frequency dependence of their dielectric…
The Kerr effect on vesicle-like droplets is described. We give a simple derivation of the Kerr constant for a dielectric fluid droplet immersed in another fluid, assuming that the droplet in an electric field becomes a prolate ellipsoid.…
The unsteady electrorotation of a drop of a viscous weakly conducting polarizable liquid suspended in another viscous weakly conducting polarizable liquid immiscible with the former in an applied constant uniform electric field is…
Classical electrodynamics uses a dielectric constant to describe the polarization response of electromechanical systems to changes in an electric field. We generalize that description to include a wide variety of responses to changes in the…
Modelling micro- and meso-scopic scale thermodynamic and transport properties of soft condensed matter hinges upon its representation. This is especially relevant for polar solvents such as water, since these require effective…
We perform direct large molecular dynamics simulations of homogeneous SPC/E water nucleation, using up to $\sim 4\cdot 10^6$ molecules. Our large system sizes allow us to measure extremely low and accurate nucleation rates, down to $\sim…
The nonlocal dielectric properties of liquid water are studied in the context of {\it ab initio} molecular dynamics simulations based on density functional theory. We calculate the dielectric response from the charge structure factor of the…