Related papers: Interplay of Physically Different Properties Leadi…
We present a modified version of the Judd-Ofelt theory, which describes the intensities of f-f transitions by trivalent lanthanide ions (Ln$^{3+}$) in solids. In our model, the properties of the dopant are calculated with well-established…
The adsorption behavior of ions at liquid-vapor interfaces exhibits several unexpected yet generic features. In particular, energy and entropy are both minimum when the solute resides near the surface, for a variety of ions in a range of…
Interfacial hydration structures are crucial in wide-ranging applications, including battery, colloid, lubrication etc. Multivalent ions like Mg2+ and La3+ show irreplaceable roles in these applications, which are hypothesized due to their…
Damped Ly\alpha\ systems (DLAs) observed in the quasar spectra are characterized by a high neutral hydrogen column density $N_{HI}>2\times 10^{20}{\rm\ cm^{-2}}$. The absorption wing profiles are often fitted using the Voigt function due to…
Liquid metal batteries are possible candidates for large scale energy storage offering a possible breakthrough of intermittent wind and solar energy exploitations. The major concern over their practical implementation is the operation at…
We investigate the competition between electron-solid and quantum-liquid phases in graphene, which arise in partially filled Landau levels. The differences in the wave function describing the electrons in the presence of a perpendicular…
Ion hydration and interfacial water play crucial roles in numerous phenomena ranging from biological to industrial systems. Although biologically relevant (and mostly smaller) ions have been studied extensively in this context, very little…
Static and dynamic changes induced by adsorption of atomic hydrogen on the NiAl(110) lattice at 130 K have been examined as a function of adsorbate coverage. Adsorbed hydrogen exists in three distinct phases. At low coverages the hydrogen…
We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have considered this process using canonical examples of two…
The electric double layer is an important structure that appears at charged liquid interfaces, and it determines the performance of various electrochemical devices such as supercapacitors and electrokinetic energy converters. Here the…
Using Monte Carlo simulations we investigate some new aspects of the phase diagram and the behavior of the diffusion coefficient in an associating lattice gas (ALG) model on different regions of the phase diagram. The ALG model combines a…
Cold cations, electrons and anions are ubiquitous in space, participate in star formation chemistry and are relevant to studies on the origin of molecular biology homochirality. We report on a system to generate and trap these species in…
Despite a wealth of experimental data for high-P_T processes in heavy-ion collisions, discriminating between different models of hard parton-medium interactions has been difficult. A key reason is that the pQCD parton spectrum at RHIC is…
Context. Departures from local thermodynamic equilibrium (LTE) distort the calcium abundance derived from stellar spectra in various ways, depending on the lines used and the stellar atmospheric parameters. The collection of atomic data…
Understanding the molecular and electronic structure of electrolytes at interfaces requires an analysis of the interactions between the electrode surface, the ions, and the solvent environment on equal footing. Here, we tackle this…
We examine closely the solar Center-to-Limb variation of continua and lines and compare observations with predictions from both a 3-D hydrodynamic simulation of the solar surface (provided by M. Asplund and collaborators) and 1-D model…
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…
In studies of dynamical systems, helium atoms scatter coherently from an ensemble of adsorbates as they diffuse on the surface. The results give information on the co-operative behaviour of interacting adsorbates and thus include the…
Deviations from Landau Fermi liquid behavior are ubiquitous features of the normal state of unconventional superconductors. Despite several decades of investigation, the underlying mechanisms of these properties are still not completely…
The Newtonian dynamics of strongly confined fluids exhibits a rich behavior. Its confined and unconfined degrees of freedom decouple for confinement length $L \to 0$. In that case and for a slit geometry the intermediate scattering…