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In this work we investigate the effects of the environment on the X-ray photoelectron spectra of hydrogen chloride and the chloride ions adsorbed on ice surfaces, as well as of chloride ions in water droplets. In our approach, we combine a…
The theoretical description of the thermodynamic properties of ferromagnetic/superconductor/ferromagnetic (F/S/F) systems of nanoscopic scale is proposed. Their superconducting characteristics strongly depend on the mutual orientation of…
Inhomogeneous s-wave superconductivity is studied in the two-dimensional, square lattice attractive Hubbard Hamiltonian using the Bogoliubov-de Gennes (BdG) mean field approximation. We find that at weak coupling, and for densities mainly…
Electrochemical gating has been demonstrated as a powerful tool to tune the physical properties of two-dimensional (2D) materials, leading to lots of fascinating quantum phenomena. However, the reported liquid-nature electrolytes (e.g,…
The hydrodynamics for a gas of hard-spheres which sometimes experience inelastic collisions resulting in the loss of a fixed, velocity-independent, amount of energy $\Delta $ is investigated with the goal of understanding the coupling…
Heterogeneous ice growth exhibits a maximum in freezing rate arising from the competition between kinetics and the thermodynamic driving force between the solid and liquid states. Here, we use molecular dynamics simulations to elucidate the…
Hydrodynamic simulations have been used to study accretion disks consisting of counterrotating components with an intervening shear layer(s). Configurations of this type can arise from the accretion of newly supplied counterrotating matter…
The morphology and transport properties of thin films of the ionomer Nafion, with thicknesses on the order of the bulk cluster size, have been investigated as a model system to explain the anomalous behaviour of catalyst/electrode-polymer…
The effect of temperature on friction and slip at the liquid-solid interface has attracted attention over the last twenty years, both numerically and experimentally. However, the role of temperature on slip close to the glass transition has…
Interlayer rotation in van der Waals (vdW) materials offers great potential for manipulating phonon dynamics and heat flow in advanced electronics with ever higher compactness and power density. However, despite extensive theoretical…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
The resistive transition width of a recently discovered room temperature near-ambient-pressure superconductor [1] changes by more than three orders of magnitude between different samples, with the transition temperature nearly unchanged.…
The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility…
Enabling a hydrogen economy requires the development of materials resistant to hydrogen embrittlement (HE). More than 100 years of research have led to several mechanisms and models describing how hydrogen interacts with lattice defects and…
We investigate the effect of oxygen vacancies and hydrogen dopants at the surface and inside slabs of LaAlO3, SrTiO3, and LaAlO3/SrTiO3 heterostructures on the electronic properties by means of electronic structure calculations as based on…
Interest in layered two dimensional materials, particularly stacked heterostructures of transition metal dichalcogenides, has led to the need for a better understanding of the structural and electronic changes induced by stacking. Here, we…
When the theoretical values of the interfacial tension -resulting from the homogeneous distribution of ionic surfactant molecules amongst the interface of emulsion drops- are plotted against the total surfactant concentration, they produce…
We have studied the effect of nitriding on the humidity sensing properties of hydrogenated amorphous carbon (a-C:H) films. The films were prepared in two stages combining the techniques of physical deposition in vapor phase evaporation…
Ni/Cu(001) is known as a unique system showing the spin-reorientation transition from an in-plane to out-of-plane magnetization direction when the Ni-overlayer thickness is increased. We investigate different relaxed multilayer structures…
Rapid new developments have occurred in superfluid hydrodynamics since the discovery of a host of unusual phenomena which arise from the diverse structure and dynamics of quantized vortices in 3He superfluids. These have been studied in…