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Equilibrium properties of hydrogen-helium mixtures under thermodynamic conditions found in the interior of giant gas planets are studied by means of density functional theory molecular dynamics simulations. Special emphasis is placed on the…
Injecting hydrogen into the natural gas grid supports gradual decarbonization. To check the accuracy of equations of state for hydrogen-enriched natural gas mixtures, precise density data from well-characterized reference mixtures are…
A reliable process for compressing hydrogen and for removing all contaminants is that of the metal hydride thermal compression. The use of metal hydride technology in hydrogen compression applications though, requires thorough structural…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…
A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat…
The anomalous 21 cm absorption feature reported by EDGES has galvanized the study of scenarios in which dark matter (DM) siphons off thermal energy from the Standard Model (SM) gas. In a departure from the much-discussed models that achieve…
Photochemical heating is analyzed with emphasis on the heating generated by chemical reactions initiated by the products of photodissociation and photoionization. The immediate products are slowed down by collisions with the ambient gas and…
Many atmospheres (cool stars, brown dwarfs, giant planets, extrasolar planets) are predominately composed of molecular hydrogen and helium. H$_2{}^{16}$O is one of the best measured molecules in extrasolar planetary atmospheres to date and…
A 13.56 MHz RF discharge in hydrogen was studied within the pressure range of 1-17 10 Pa, and at power range of 400-1000 W. The electron energy distribution function and 18 electron density were measured by a Langmuir probe. The gas…
Density functional calculations of electronic structure, total energy, structural distortions, and magnetism for hydrogenated single-layer, bilayer, and multi-layer graphene are performed. It is found that hydrogen-induced magnetism can…
We report the discovery of three HI absorbers toward low-power radio active galactic nuclei (AGNs) in a pilot HI absorption survey with the Five-hundred-meter Aperture Spherical radio Telescope (FAST). Compared to past studies, FAST…
We report the preparation of sodium alanate, a promising hydrogen storage material, in a thin film form using co-sputtering in a reactive atmosphere of atomic hydrogen. We study the phase formation and distribution, and the hydrogen…
The present research work is focused on the effect of activation procedure on the hydrogen absorption-desorption properties of new rare earth transition metal compound based on Sm(Co0.6Fe0.2Zr0.16B0.04)7.5 composition. Crystal structure and…
We present a technique for extracting Raman intensities from ab initio molecular dynamics (MD) simulations at high temperature. The method is applied to the highly anharmonic case of dense hydrogen up to 500 K for pressures ranging from 180…
The plasma-chemical process of producing hydrogen from propane under the excitation by laser radiation has been studied. The study was carried out using femtosecond (35 fs) and nanosecond (7 ns) pulsed laser radiation sources. Experimental…
Environmental molecular beam experiments are used to examine water interactions with liquid methanol films at temperatures from 170 K to 190 K. We find that water molecules with 0.32 eV incident kinetic energy are efficiently trapped by the…
We develop a one-dimensional mathematical model for the loading process of hydrogen in a metal hydride tank. The model describes the evolution of the density and pressure of the hydrogen gas, the temperature of the tank, the averaged…
Migration of hydrogen and hydride formation under thermal gradient leads to hydrogen redistribution in certain metals. These metals include zirconium, titanium, hafnium and their alloys with tendency to form hydrides. A computational method…
We study water-hydrogen mixtures under planetary interior conditions using ab initio molecular dynamics simulations. We determine the thermodynamic properties of various water-hydrogen mixing ratios at temperatures of 2000 and 6000 K for…