相关论文: Proton Electrodynamics in Liquid Water

We investigate ionization at a solid-water interface in applied electric field. We attach an electrode to a dielectric film bearing silanol or carboxyl groups with an areal density $\Gamma_0$, where the degree of dissociation $\alpha$ is…

The behavior of liquid water under an electric field is a crucial phenomenon in science and engineering. However, its detailed description at a microscopic level is difficult to achieve experimentally. Here we report on the first ab initio…

The stochastic dynamics of tracers arising from hydrodynamic fluctuations in a driven electrolyte is studied using a self-consistent field-theory framework in all dimensions. A plethora of scaling behaviour that includes two distinct…

We investigate the dynamics of the extended simple point charge (SPC/E) model of water in the supercooled region. The dynamics at negative pressures show a minimum in the diffusion constant $D$ when the density is decreased at constant…

Using classical as well as ab-initio molecular dynamics simulations, we calculate the frequency-dependent shear viscosity of pure water and water-glycerol mixtures. In agreement with recent experiments, we find deviations from…

When the concentration of electrolyte solution varies along the channel the forces arise that drag the fluid toward the higher or lower concentration region inducing a flow termed diffusio-osmotic. This article investigates a flow that…

The local structure of liquid water as a function of temperature is a source of intense research. This structure is intimately linked to the dynamics of water molecules, which can be measured using Raman and infrared spectroscopies. The…

Currently, the study of systems confined within various materials, such as graphene and graphene oxide, for diverse applications such as water desalination, metal separation from water, battery cells, and high-efficiency capacitors, is very…

In charged fluids obeying particle-hole symmetry, such as the Dirac fluid in graphene, charge transport is diffusive despite the presence of ballistically propagating sound waves: sound waves "hydrodynamically decouple" from the slower…

We consider the excitation of water in the Photon Dominated Region (PDR). With the use of a three-dimensional escape probability method we compute the level populations of ortho- and para-H_2O up to 350 K (i.e., 8 levels), as well as line…

We provide the first evidence that the puzzling dielectric Debye process observed in mono-alcohols is coupled to density fluctuations. The results open up for an explanation of the Debye process within the framework of conventional…

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…

A new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water. The idea for treating charges as variables is based on the concept of…

We use ab initio molecular dynamics as a basis for quasi-chemical theory evaluation of the free energy of water near conventional liquid thermodynamic states. The PW91, PBE, and revised PBE (rPBE) functionals are employed. The oxygen radial…

Dissipative processes are pivotal for understanding the hydrodynamic evolution of hot and dense QCD matter created in relativistic nuclear collisions. The interplay of multiple conserved charges -- net baryon, strangeness, and electric…

We consider the transport of conserved charges in spatially inhomogeneous quantum systems with a discrete lattice symmetry. We analyse the retarded two point functions involving the charge and the associated currents at long wavelengths,…

Using artificial dissipation to tame entanglement growth, we chart the emergence of diffusion in a generic interacting lattice model for varying U(1) charge densities. We follow the crossover from ballistic to diffusive transport above a…

The frequency and temperature dependence of the dielectric constant and the electrical conductivity of the transparent glasses in the composition 0.5Cs2O-0.5Li2O-3B2O3 (CLBO) were investigated in the 100 Hz - 10 MHz frequency range. The…

Frequency dependence of the dielectric constant of complex perovskite oxide Ba(1-x)La(x)Ti(1-x)Cr(x)O3 (BLTC) ceramics with the composition ratio 0.4<= x <= 0.7 is precisely measured in the temperature range from 20 K to 300 K, and the…

Ternary Li halides, such as Li$_3$MeX$_6$ with, e.g., Me = In, Sc, Y and X = Cl, Br, are in the center of attention for battery applications as these materials might serve as ionic electrolytes. To fulfill their function, such electrolytes…