Related papers: Atomistically-informed modeling of point defect cl…
The sharp optical resonances of NV- centers in diamond at cryogenic temperatures offer powerful new capabilities for material characterization, but extracting the most detailed information typically requires careful calibration of…
Non-equilibrium processes following the irradiation of atomic clusters with short pulses of vacuum ultraviolet radiation are modelled using kinetic Boltzmann equations. The dependence of the ionization dynamics on the cluster size is…
Under irradiation, Zr and Zr alloys undergo growth in the absence of applied stress. This phenomenon is thought to be associated with the anisotropy of diffusion of either or both radiation-induced point defects and defect clusters. In this…
This work extends our Object Kinetic Monte Carlo model for neutron irradiation-induced nanostructure evolution in Fe-C alloys to consider higher irradiation temperatures. The previous study concentrated on irradiation temperatures < 370 K.…
We present results from a study of the X-ray cluster population that forms within the CLEF cosmological hydrodynamics simulation, a large N-body/SPH simulation of the Lambda CDM cosmology with radiative cooling, star formation and feedback.…
Using density functional theory (DFT) calculations, we have systematically investigated the thermodynamic properties and structural stabilities of thorium dioxide (ThO$_2$). Based on the calculated phonon dispersion curves, we calculate the…
We have made a comparative study of morphological evolution in simulated DM halos and X-ray brightness distribution, and in optical clusters. Samples of simulated clusters include star formation with supernovae feedback, radiative cooling,…
(Abridged) We aim to determine the degrees of CO depletion, deuterium fractionation, and ionisation in a sample of seven massive clumps associated with IRDCs. The APEX telescope was used to observe the C17O(2-1), H13CO+(3-2), DCO+(3-2),…
The foundations of irradiation damage theory were laid in the 1950s and 60s within the framework of chemical reaction kinetics. While helpful to analyze qualitative aspects of irradiation damage, the theory contained gaps that delayed its…
We use N-body simulations to study evolution of galaxy clusters over the redshift interval 0 <= z <= 0.5 in cosmological models with a mixture of cold and hot dark matter (CHDM). Four different techniques are utilized: the cluster-cluster…
Nonstoichiometric ceria(CeO$_{2-\delta}$) is a candidate reaction medium to facilitate two step water splitting cycles and generate hydrogen. Improving upon its thermodynamic suitability through doping requires an understanding of its…
A comprehensive investigation on point defects and their clustering behavior in nonstoichiometric uranium dioxide UO2+x is carried out using LSDA+U method based on density functional theory. Accurate energetic information and charge…
We analyze with hydrodynamical simulations the evolution of galaxy clusters in a cosmological environment. Power ratios (Buote \& Tsai 1995) are used to quantitatively relate cluster morphologies to their dynamical states. The simulated…
The radiative cooling of optically thin gaseous regions and the formation of a two-phase medium and of cold gas clouds with a clumpy substructure is investigated. In optically thin clouds, the growth rate of small isobaric density…
A companion paper presents a worked model for evolution through inflation to initial conditions for an isocurvature model for structure formation. It is shown here that the model is consistent with the available observational constraints…
Nanocrystalline materials are promising candidates for future fusion reactor applications, due to their high density of grain boundaries which may serve as sinks for irradiation induced defects. We use molecular dynamics to simulate…
The configurational and melting properties of large two-dimensional clusters of charged classical particles interacting with each other via the Coulomb potential are investigated through the Monte Carlo simulation technique. The particles…
We use very large cosmological N--body simulations to obtain accurate predictions for the two-point correlations and power spectra of mass-limited samples of galaxy clusters. We consider two currently popular cold dark matter (CDM)…
By applying a genetic algorithm in a cascade approach of increasing accuracy, we calculate the composition and structure of MgMOx clusters at realistic temperatures and oxygen pressures. The stable and metastable systems are identified by…
We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong…