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W-O deposits with complex morphologies and significant He contents will growth on the surface of plasma facing components exposed to He discharges. To mimic the re/co-deposition process, W-O-He coatings were produced by implanting He+ ions…
We perform radiation-hydrodynamics simulations of binary neutron star mergers in numerical relativity on the Japanese "K" supercomputer, taking into account neutrino cooling and heating by an updated leakage-plus-transfer scheme for the…
Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low…
We have investigated the combined effect of low-energy self-implantation and thermal annealing on the near-surface defect concentration of ZnO single-crystals. Using ionoluminescence (IL), we demonstrate that a combination of low-energy…
Epitaxial films evolve on time and length scales that are inaccessible to atomistic computer simulation methods like molecular dynamics (MD). To numerically predict properties for such systems, a common strategy is to employ kinetic Monte…
Sessile droplets of aqueous poly(ethylene oxide) solution, with average molecular weight of 100 kDa, are monitored during evaporative drying at ambient conditions over a range of initial concentrations $c_0$. For all droplets with $c_0 \geq…
Thin films of polycrystalline $\beta$-Mn structure CoZn have been grown on thermally oxidized Si substrates by co-sputtering from elemental targets followed by annealing. A range of films grown with variable Co deposition power and fixed Zn…
Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopical…
TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only…
The occurrence of a first-order hadron-quark matter phase transition at high baryon densities is investigated in astrophysical simulations of core-collapse supernovae, to decipher yet incompletely understood properties of the dense matter…
A comprehensive understanding of the electrode-electrolyte interface in energy conversion systems remains challenging due to the complex and multifaceted nature of interfacial processes. This complexity hinders the development of more…
The space-time evolution of the hot and dense matter formed after the collisions of heavy nuclei at ultra-relativistic energies is investigated using (3+1) dimensional hydrodynamical models. The effects of the spectral shift of the hadronic…
In the molecular beam epitaxy of oxide films, the cation (Sn, Ga) or dopant (Sn) incorporation does not follow the vapor pressure of the elemental metal sources, but is enhanced by several orders of magnitude for low source temperatures.…
The transition to sustainable green hydrogen production demands innovative electrocatalyst design strategies that can overcome current technological limitations. This study introduces a comprehensive data-driven approach to predicting and…
The limited availability of accurate experimental data in wide ranges of pressure, temperature, and composition is the main constraining factor for the proper development and assessment of thermodynamic models and equations of state. In the…
We address the deficiency of odd-Z elements P, Cl, K and Sc in galactic chemical evolution models through an investigation of the nucleosynthesis of interacting convective O- and C shells in massive stars. 3D hydrodynamic simulations of…
We investigate the growth of a film of some element B on a substrate made of another substrance A in a model of molecular beam epitaxy. A vertical exchange mechanism allows the A-atoms to stay on the growing surface with a certain…
We study the thermalization, injection, and acceleration of ions with different mass/charge ratios, $A/Z$, in non-relativistic collisionless shocks via hybrid (kinetic ions-fluid electrons) simulations. In general, ions thermalize to a…
A mathematical model for emerging contaminants sorption in multispecies biofilms, based on a continuum approach and mass conservation principles is presented. Diffusion of contaminants within the biofilm is described using a…
Experimental results on amorphous ZrAlCu thin film growth and the dynamics of the surface morphology as predicted from a minimal nonlinear stochastic deposition equation are analysed and compared. Key points of this study are (i) an…