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We present an x-ray absorption study of the dependence of the V oxidation state on the thickness of LaVO$_3$ (LVO) and capping LaAlO$_3$ (LAO) layers in the multilayer structure of LVO sandwiched between LAO. We found that the change of the…
$^4$He nanodroplets doped with an alkali ion feature a snowball of crystallized layers surrounded by superfluid helium. For large droplets, we predict that a transitional supersolid layer can form, bridging between the solid core and the…
The spatial distribution of the gaseous components of the Milky Way is of great importance for a number of different fields, for example, Galactic structure, star formation, and cosmic rays. However, obtaining distance information to…
The search for local structures within a disordered medium has led to proposals of several methods for probing transient short-range symmetry in a homogeneous mono-atomic liquid. We offer a comparison of different characterizations of such…
We study the evaporation-induced stratification of a mixture of short and long polymer chains in a drying droplet using molecular simulations. We systematically investigate the effects of hydrodynamic interactions (HI) on this process by…
The metallicity structure of stellar halos encodes the fossil record of galaxy assembly, tracing the chemical evolution and dynamical imprint of past mergers. Using five Milky Way-mass halos from the Aquarius simulations, we introduce an…
The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly developed "modified basin-hopping" method. It is found that all…
This article presents results of further investigation of the problem of spurious interface fragmentation in the multiphase SPH. In order to remove arising instabilities, many authors introduced the artificial interface correction…
Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically…
A recent observational study of haloes of nearby Milky Way-like galaxies shows that only half (four out of eight) of the current sample exhibits strong negative metallicity ([Fe/H]) gradients. This is at odds with predictions from…
We introduce a modified SPH approach that is based on discretising the particle density instead of the mass density. This approach makes it possible to use SPH particles with very different masses to simulate multi-phase flows with large…
We calculate the distribution of HI within 750 proper kpc/h of a quasar, Lbol = 1.62e13 Lsun, powered by an SMBH, Mbh = 4.47e8 Msun, at z = 3. Our numerical model includes a cosmological hydrodynamic simulation that tracks the self…
Cosmological hydrodynamical simulations of galaxy evolution are increasingly able to produce realistic galaxies, but the largest hurdle remaining is in constructing subgrid models that accurately describe the behavior of stellar feedback.…
A combination of fundamental measure density functional theory and Monte Carlo computer simulation is used to determine the orientation-resolved interfacial tension and stiffness for the equilibrium hard-sphere crystal-fluid interface.…
Charge redistribution at high-Tc superconductor interfaces and grain boundaries on the one hand is problematic for technological application. On the other hand, it gives rise to a great perspective for tailoring the local electronic states.…
We introduce a halo solving and tracking procedure that intrinsically treats dark matter halos as non-spherical objects by leveraging the bound particle searching techniques used in Haskap Pie. The AGORA Collaboration's hydrodynamic…
Direct simulation results for stationary gas transport through pure silica zeolite membranes (MFI, LTA and DDR types) are presented using a hybrid, non-equilibrium molecular dynamics simulation methodology introduced recently. The…
We report x-ray reflectivity (XR) and small angle off-specular diffuse scattering (DS) measurements from the surface of liquid Indium close to its melting point of $156^\circ$C. From the XR measurements we extract the surface structure…
The dynamics of H atom recombination on materials of interest for a EUV lithographer was studied under a longterm low-pressure H2 plasma exposure. The similarity of the experimental plasma with the typical EUV-induced plasma over the…
We present a simple model of the interface between a local homogeneous medium and a potentially nonlocal metamaterial/photonic crystal. This model allows us to calculate the scattering matrix elements of the interface for a plane wave of…