Related papers: Modeling oxygen-void interactions in uranium nitri…
A low-pressure double-inductively coupled plasma device is used to study the fundamental plasma parameters, plasma chemistry, and UV photon emission from the first excited state of nitric oxide, NO(A), in gas mixtures of nitrogen and…
We present the first quantum molecular dynamics calculation of zero-pressure isobar of solid and liquid uranium that account for spin-orbit coupling. We demonstrate that inclusion of spin-orbit interaction leads to higher degree of the…
We present experimental data on ultracold neutron (UCN) production in solid oxygen from 5 K to 50 K. The experiment used 3 cells of different dimensions in order to study the excess UCN elastic scattering in s-O$_2$ due to source density…
Recent photoemission experiments have shown strong surface modifications in the spectra from vanadium oxides as (V,Cr)_2O_3 or (Sr,Ca)VO_3. The effective mass is enhanced at the surface and the coherent part of the surface spectrum is…
Fission gas swelling and release in UO$_2$ are governed by the coupled evolution of intragranular clusters and bubbles, migrating grain boundaries (GBs), triple junctions (TJs), and their eventual connection to a free surface (FS). We…
We study the kinematic and thermal vorticities in low-energy heavy-ion collisions by using the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) model. We explore their time evolution and spatial distribution. We find that the initial…
A theoretical modeling of the oxygen diffusivity in silicon and germanium crystals both at normal and high hydrostatic pressure has been carried out using molecular mechanics, semiempirical and ab initio methods. It was established that the…
The main mechanisms and conditions of interaction of lava-like fuel-containing materials (LFCM) with the atmosphere, water and aqueous solutions are presented. The mechanisms of destruction of the LFCM surface, including ion-exchange…
Subsurface oxygen in oxide-derived copper catalysts significantly influences CO$_2$ activation. However, its effect on the molecular charging process, the key to forming the CO$_2^{\delta-}$ intermediate, remains poorly understood. We…
Using density-functional theory we assess the stability of bulk and surface oxides of the late 4d transition metals in a ``constrained equilibrium'' with a gas phase formed of O2 and CO. While the stability range of the most stable bulk…
The origin of mass asymmetry in the fission of uranium at a low excitation energy is clarified by a trajectory analysis of the Langevin equation. The positions of the peaks in the mass distribution of fission fragments are mainly determined…
In the present work the chemical composition of niobium surface upon 200-400 {\deg}C baking similar to "medium-temperature baking" and "furnace baking" of cavities is explored in-situ by synchrotron X-ray photoelectron spectroscopy (XPS).…
Recent measurements of the scattering of He and Ne atoms at Rh(110) suggest that these two rare-gas atoms measure a qualitatively different surface corrugation: While Ne atom scattering seemingly reflects the electron-density undulation of…
The oxygen and silicon dynamics in silica is compared via computer simulations. In agreement with experimental data and previous simulations a decoupling of oxygen and silicon dynamics is observed upon cooling. The origin of this decoupling…
We investigate the surface tension $\sigma$ and the curvature energy $\gamma$ of quark matter drops in the MIT bag model with vector interactions. Finite size corrections to the density of states are implemented by using the multiple…
Dislocation core chemistry in oxides critically influences mechanical behavior and functionality; yet the evolution of core chemistry during the dislocation motion in them has not been directly observed. Here, using SrTiO3 as a model…
We analyze the surface tension in ultra-cold atomic gases in a quasi one-dimensional and one-dimensional geometry. In recent years, experimental observations have confirmed the ``clustering of atoms" to form droplets in ultra-cold atomic…
Ni coarsening in Ni-yttria stabilized zirconia (YSZ) solid oxide fuel cell anodes is considered a major reason for anode degradation. We present a predictive, quantative modeling framework based on the phase-field approach to systematically…
Naturally occurring ices lie on both interstellar dust grains and on celestial objects, such as those in the outer solar system. These ices are continu- ously subjected to irradiation by ions from the solar wind and/or cosmic rays, which…
Energetic particle irradiation of solids can cause surface ultra-smoothening, self-organized nanoscale pattern formation, or degradation of the structural integrity of nuclear reactor components. Periodic patterns including high-aspect…