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Neutron irradiation induces in steels nanostructural changes, which are at the origin of the mechanical degradation that these materials experience during operation in nuclear power plants. Some of these effects can be studied by using as…
Feature extraction and a neural network model are applied to predict the defect types and concentrations in experimental TiO$_2$ samples. A dataset of TiO$_2$ structures with vacancies and interstitials of oxygen and titanium is built and…
Microfabricated Paul ion traps show tremendous promise for large-scale quantum information processing. However, motional heating of ions can have a detrimental effect on the fidelity of quantum logic operations in miniaturized, scalable…
We study the impact of modern stellar atmospheres that take into account the effects of stellar winds, departures from LTE and line blanketing ("CoStar" models) on the ionization structure of HII regions. Results from a large grid of…
High-energy physics detectors, like Low Gain Avalanche Detectors (LGADs) that will be used as fast timing detectors in the High Luminosity LHC experiments, have to exhibit a significant radiation tolerance. Thereby the impact of radiation…
Energetic charged particles generated by inertial confinement fusion (ICF) implosions encode information about the spatial morphology of the hot-spot and dense fuel during the time of peak fusion reactions. The knock-on deuteron imager…
It is well-known that the microstructure of electrodes in lithium-ion batteries strongly affects their performance. Vice versa, the microstructure can exhibit strong changes during the usage of the battery due to aging effects. For a better…
Large polyatomic molecules typically exhibit low ionization potentials, Ip, leading to over-the-barrier ionization (OBI) already at relatively low intensities (~1013 W/cm2). We revisit laser-induced electron diffraction (LIED) in the…
We report first-principles calculations that reveal the atomic forms, stability, and energy levels of carbon-related defects in SiC (0001)/SiO$_{\rm 2}$ systems. We clarify the stable position (SiC side, SiO$_{\rm 2}$ side, or just at the…
We describe the parameterization of a tungsten-hydrogen empirical potential designed for use with large-scale molecular dynamics simulations of highly irradiated tungsten containing hydrogen isotope atoms, and report test results.…
Photovoltaic efficiency in solar cells is hindered by many unwanted effects. Radiative channels (emission of photons) sometimes mediated by non-radiative ones (emission of phonons) are principally responsible for the decrease in exciton…
Irradiation of materials in nuclear test reactors and power plants is known to alter the properties of the material. The irradiation event happening at pico- or nanosecond time scales are affecting the evolution and properties of the…
We present a study of the impact of photoionization feedback from young massive stars on the turbulent statistics of star-forming molecular clouds. This feedback is expected to alter the density structure of molecular clouds and affect…
Molecular magneto-optical traps (MOTs) typically capture orders of magnitude fewer particles than their atomic counterparts due in part to their significantly lower capture velocities. Here, we employ a Stochastic Schr\"odinger Equation…
We present the latest advances of the multiscale approach to radiation damage caused by irradiation of a tissue with energetic ions and report the most recent advances in the calculations of complex DNA damage and the effects of thermal…
We describe a simple yet rigorous theoretical model capable of analytical estimation of plasmonic field enhancement in complex metal structures. We show that one can treat the complex structures as coupled multi-pole modes with highest…
A phenomenological model was developed to explain quantitatively, without free parameters, the production of primary defects in silicon after particle irradiation, the kinetics of their evolution toward equilibrium and their influence on…
Accurately predicting aging of lithium-ion batteries would help to prolong their lifespan, but remains a challenge owing to the complexity and interrelation of different aging mechanisms. As a result, aging prediction often relies on…
We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…
We present a detailed comparison of the ionizing spectral energy distributions (SEDs) predicted by four modern stellar atmosphere codes, TLUSTY, CMFGEN, WMbasic, and FASTWIND. We consider three sets of stellar parameters representing a late…