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Cooling of ions or other charged particles in electromagnetic traps is an essential tool to achieve control over their degrees of freedom on the quantum level. For many objects, there is no viable route for direct cooling, such as an…
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.…
We examine the SPCE and TIP5P water models to study heat capacity effects associated with the hydrophobic hydration and interaction of Xenon particles. We calculate the excess chemical potential for Xenon employing the Widom particle…
The impact of mesoscale organization on dynamics and ion transport in binary ionic liquid mixtures is investigated by broadband dielectric spectroscopy, dynamic-mechanical spectroscopy, x-ray scattering, and molecular dynamics simulations.…
Motivated by the very low diffusivity recently found in ab initio simulations of liquid water, we have studied its dependence with temperature, system size, and duration of the simulations. We use ab initio molecular dynamics (AIMD),…
As liquid xenon time projection chambers scale to ever-larger sizes, so too do the engineering challenges they pose. We describe a large, flexible, multipurpose test facility capable of supporting the development of a number of key aspects…
One of the harmful contaminants in the atmosphere, which negatively affects the well-being of both humans and animals, is the suspended respirable particles. The most difficult aspect of the study is now removing these fine respirable…
The low conversion rate and efficiency always weaken the performance of thermochemical water-splitting reaction. Herein, we, for the first time, conducted the thermodynamic study of a hydrogen permeable membrane (HPM) in an isothermal…
Molecular excitations in the liquid-phase environment are renormalized by the surrounding solvent molecules. Herein, we employ the GW approximation to investigate the solvation effects on the ionization energy of phenol in various solvent…
The lifetime of trapped ion ensembles corresponds to a crucial parameter determining the potential scalability of their prospective applications and is often limited by the achievable vacuum level in the apparatus. We report on the…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt dissolved in methanol solvent. Four united atom force fields…
The preference of water self-ions (hydronium and hydroxide) towards air/oil-water interfaces is one of the hottest topics in water research due to its importance for understanding properties, phenomena, and reactions of interfaces. In this…
Reducing carbon dioxide emissions has become a must in society, being crucial to find alternatives to supply the energy demand. Adsorption-based cooling and heating technologies are receiving attention for thermal energy storage…
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…
Experimental measurements of interactions in ionic liquids and concentrated electrolytes over the past decade or so have revealed simultaneous monotonic and oscillatory decay modes. These observations have been hard to interpret using…
Interfacial interactions significantly alter the fundamental properties of water confined in mesoporous structures, with crucial implications for geological, physicochemical, and biological processes. Herein, we focused on the effect of…
Fluid-solid interfacial free energy (IFE) is a fundamental parameter influencing wetting behaviors, which play a crucial role across a broad range of industrial applications. Obtaining reliable data for fluid-solid IFE remains challenging…
Water isotope separation, specifically separating heavy from light water, is a socially significant issue due to the usage of heavy water in applications such as nuclear magnetic resonance, nuclear power, and spectroscopy. Separation of…
We present ion-by-ion cooling efficiencies for low-density gas. We use Cloudy (ver. 08.00) to estimate the cooling efficiencies for each ion of the first 30 elements (H-Zn) individually. We present results for gas temperatures between 1e4…
The properties and structure of electrically-stressed ionic liquid menisci experiencing ion evaporation are simulated using an electrohydrodynamic model with field-enhanced thermionic emission in steady state for an axially-symmetric…