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Highly polarizable metastable He* ($\mathrm{2^3S}$) and Ne* ($\mathrm{2^3P}$) atoms have been diffracted from a 100 nm period silicon nitride transmission grating and the van der Waals coefficients $C_3$ for the interaction of the excited…
Atoms at liquid metal surfaces are known to form layers parallel to the surface. We analyze the two-dimensional arrangement of atoms within such layers at the surface of liquid sodium, using ab initio molecular dynamics (MD) simulations…
This paper deals with the modeling of the interstellar hydrogen atoms (H atoms) distribution in the heliosphere. We study influence of the heliospheric interface, that is the region of the interaction between solar wind and local…
The properties of MgO/Ag(001) ultrathin films with substitutional Mg atoms in the interface metal layer have been investigated by means of Auger electron diffraction experiments, ultraviolet photoemission spectroscopy, and density…
We perform a study of the interfacial properties of a model suspension of hard sphere colloids with diameter $\sigma_c$ and non-adsorbing ideal polymer coils with diameter $\sigma_p$. For the mixture in contact with a planar hard wall, we…
We analyze a one-component simple fluid in a liquid-vapor coexistence state, which forms an arbitrarily curved interface. By using an approach based on density functional theory, we obtain an exact and simple expression for the grand…
While the diffusion of hydrogen on silicon surfaces has been relatively well characterised both experimentally and theoretically, the diffusion around corners between surfaces, as will be found on nanowires and nanostructures, has not been…
The opacity of spiral galaxy disks, from counts of distant galaxies, is compared to HI column densities. The opacity measurements are calibrated using the ``Synthetic Field Method'' from Gonzalez et al (1998) and Holwerda et al. (2005a).…
The ability to perform efficient electrical spin injection from ferromagnetic metals into two-dimensional semiconductor crystals based on transition metal dichalcogenide monolayers is a prerequisite for spintronic and valleytronic devices…
It is established that liquid metals exhibit surface layering at the liquid-vapor interface, while dielectric simple systems, like those interacting through Lennard-Jones potentials, show a monotonic decay from the liquid density to that of…
We perform density functional molecular dynamics simulations of liquid and solid MgSiO3 in the pressure range of 120-1600 GPa and for temperatures up to 20000 K in order to provide new insight into the nature of the liquid-liquid phase…
We present Monte Carlo simulations of the Diffuse H$\alpha$ Galactic Background. Our models comprise direct and multiply scattered H$\alpha$ radiation from the kpc scaleheight Warm Ionized Medium and midplane H II regions. The scattering is…
We investigate the mass profile of LambdaCDM halos using a suite of numerical simulations spanning five decades in halo mass, from dwarf galaxies to rich galaxy clusters. Our analysis confirms the proposal of Navarro, Frenk & White (NFW)…
We study the initial interaction of adsorbed H2O with P-rich and Ga-rich GaP(100) surfaces. Atomically well defined surfaces are prepared by metal-organic vapour phase epitaxy and transferred contamination-free to ultra-high vacuum, where…
Using the GAEA semi-analytic model, we analyse the connection between Damped Lyman-$\alpha$ systems (DLAs) and HI in galaxies. Our state-of-the-art semi-analytic model is tuned to reproduce the local galaxy HI mass function, and that also…
Liquid water is fundamentally important, and its accurate computer simulation has been the driving force for myriad methodological developments. Ab initio molecular dynamics with forces obtained from density functional theory (DFT) is now a…
Second-harmonic scattering experiments of water and other bulk molecular liquids have long been assumed to be insensitive to interactions between the molecules. The measured intensity is generally thought to arise from incoherent scattering…
We develop an analytic halo model for the distribution of dust around galaxies. The model results are compared with the observed surface dust density profile measured through reddening of background quasars in the Sloan Digital Sky Survey…
Thermally excited capillary waves at fluid interfaces in binary liquid mixtures exhibit simultaneously both density and composition fluctuations. Based on a density functional theory for inhomogeneous binary liquid mixtures we derive an…
Structural correlations at a liquid-solid interface were explored with molecular dynamics simulations of a model aluminium system using the Ercolessi-Adams potential and up to 4320 atoms. Substrate atoms were pinned to their equilibrium…