Related papers: Measurements of Multicomponent Diffusion Coefficie…
Terahertz spectroscopy is a promising tool for analyzing the picosecond dynamics of biomolecules, which is influenced by surrounding water molecules. However, water causes extreme losses to terahertz signals, preventing sensitive…
Tellurium-loaded liquid scintillators are critical for neutrinoless double-beta decay experiments. However, conventional organic scintillators are constrained by the limited solubility of organic tellurium compounds compared with that of…
Particle diffusion in rotating drums is studied via computer simulations using a full 3-D model which does not involve any arbitrary input parameters. The diffusion coefficient for single-component systems agree qualitatively with previous…
Liquid NaSn alloys in five different compositions (20, 40, 50, 57 and 80% sodium) are studied using density functional calculations combined with molecular dynamics(Car-Parrinello method). The frequency-dependent electric conductivities for…
A relationship between the chemical composition, structure and luminescent properties of light-emitting SiOxNy(Si) composite layers with Si nanocrystals is demonstrated. Photoluminescence (PL) with a maximum of intensity at 500-600 nm is…
We analyze the critical gas-liquid phase behavior of arbitrary fluid mixtures in their coexistence region. We focus on the setting relevant for polydisperse colloids, where the overall density and composition of the system are being…
Multicomponent gas transport is investigated with unprecedented precision by AC impedance analysis of porous YSZ anode-supported solid oxide fuel cells. A fuel gas mixture of H2-H2O-N2 is fed to the anode, and impedance data are measured…
We used single-molecule tracking to probe the local rheology of interfacial water. Fluorescent rhodamine molecules were tracked on silica surfaces as a function of ambient relative humidity, which controlled the thickness of condensed water…
Aqueous mixtures of 1-propanol have been investigated by high-energy synchrotron X-ray diffraction upon cooling. X-ray weighted total scattering structure factors of 6 mixtures, from 8 mol% to 89 mol% alcohol content, as well as that of…
This study investigates water transport in a polymer electrolyte membrane (PEM) electrolyzer using operando infrared spectroscopic imaging. By testing different H2SO4 anolyte concentrations, it examines electrochemical performance, water…
We have grown single crystals of Na$_x$Ca$_y$CoO$_2$ and determined their superstructures as a function of composition using neutron and x-ray diffraction. Inclusion of Ca$^{2+}$ stabilises a single superstructure across a wide range of…
The first observation of tungsten disulfide liquid crystalline nanocomposites in dispersions of liquid phase-exfoliated flakes is demonstrated in a range of organic solvents. The nanocomposites demonstrate significant birefringence and…
Proteins appear to be the most dramatic natural example of self-organized criticality (SOC), a concept that explains many otherwise apparently unlikely phenomena. Protein functionality is dominated by long range hydro(phobic/philic)…
We have fabricated Na_xCoO_2 thin films via lateral diffusion of sodium into Co_3O_4 (111) epitaxial films (reactive solid-phase epitaxy: Ref. 4). The environment of thermal diffusion is key to the control of the sodium content in thin…
Because of the negative inclination of the solid-liquid phase separation line in water, ice Ih melts on compression. On further increase in pressure the liquid water transforms into a high density metastable glassy state, characterized by a…
Hydrostatic equilibrium is an excellent approximation for the dense layers of planetary atmospheres where it has been canonically used to interpret transmission spectra of exoplanets. Here we exploit the ability of high-resolution…
In the present work, molecular dynamics study of diffusion of Gamma Aminobutyric acid in water at different temperatures 298.2 K, 303.2 K, 313.2 K, 323.2 K, 333.2 K have been performed. The solute and solvent is modeled using OPLS AA…
We examine the behavior of the diffusion coefficient of the ST2 model of water over a broad region of the phase diagram via molecular dynamics simulations. The ST2 model has an accessible liquid-liquid transition between low-density and…
Understanding transport behavior in nanoconfined environments is critical to many natural and engineering systems, including cementitious materials, yet its molecular-level mechanisms remain poorly understood. Here, molecular dynamics (MD)…
In this work, a force field for several ions in water is proposed. In particular, we consider the cations Li$^+$ , Na$^+$ , K$^+$, Mg$^{2+}$, Ca$^{2+}$ and the anions Cl$^-$, and SO$_4^{2-}$ . These ions were selected as they appear in the…