1,965 research outputs found
Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades
Using in-situ transmission electron microscopy, we have directly observed
nano-scale defects formed in ultra-high purity tungsten by low-dose high energy
self-ion irradiation at 30K. At cryogenic temperature lattice defects have
reduced mobility, so these microscope observations offer a window on the
initial, primary damage caused by individual collision cascade events. Electron
microscope images provide direct evidence for a power-law size distribution of
nano-scale defects formed in high-energy cascades, with an upper size limit
independent of the incident ion energy, as predicted by Sand et al. [Eur. Phys.
Lett., 103:46003, (2013)]. Furthermore, the analysis of pair distribution
functions of defects observed in the micrographs shows significant
intra-cascade spatial correlations consistent with strong elastic interaction
between the defects
Common-envelope evolution with an asymptotic giant branch star
Common-envelope phases are decisive for the evolution of many binary systems.
Of particular interest are cases with asymptotic giant branch (AGB) primary
stars, because they are thought to be progenitors of various astrophysical
transients. In three-dimensional hydrodynamic simulations with the moving-mesh
code AREPO, we study the common-envelope evolution of a
early-AGB star with companions of different masses. Although the stellar
envelope of the AGB star is less tightly bound than that of a red giant, we
find that the release of orbital energy of the core binary is insufficient to
eject more than about twenty percent of the envelope mass. Ionization energy
released in the expanding envelope, however, can lead to complete envelope
ejection. Because recombination proceeds largely at high optical depths in our
simulations, it is likely that this effect indeed plays a significant role in
the considered systems. The efficiency of mass loss and the final orbital
separation of the core binary system depend on the mass ratio between the
companion and the primary star. Our results suggest a linear relation between
the ratio of final to initial orbital separation and this parameter.Comment: 12 pages, 9 figures, 5 tables; accepted for publication by A&
A Survey for H2O Megamasers III. Monitoring Water Vapor Masers in Active Galaxies
We present single-dish monitoring of the spectra of 13 extragalactic water
megamasers taken over a period of 9 years and a single epoch of sensitive
spectra for 7 others. Our data include the first K-band science observations
taken with the new 100 m Green Bank Telescope (GBT). In the context of a
circumnuclear, molecular disk model, our results suggest that either (a) the
maser lines seen are systemic features subject to a much smaller acceleration
than present in NGC 4258, presumably because the gas is farther from the
nuclear black hole, or (b) we are detecting ``satellite'' lines for which the
acceleration is in the plane of the sky.
We also report a search for water vapor masers towards the nuclei of 58
highly inclined, nearby galaxies.Comment: accepted by ApJ
Analytic gradients for state-averaged multiconfiguration pair-density functional theory
Analytic gradients are important for efficient calculations of stationary points on potential energy surfaces, for interpreting spectroscopic observations, and for efficient direct dynamics simulations. For excited electronic states, as are involved in UV–Vis spectroscopy and photochemistry, analytic gradients are readily available and often affordable for calculations using a state-averaged complete active space self-consistent-field (SA-CASSCF) wave function. However, in most cases, a post-SA-CASSCF step is necessary for quantitative accuracy, and such calculations are often too expensive if carried out by perturbation theory or configuration interaction. In this work, we present the analytic gradients for multiconfiguration pair-density functional theory based on SA-CASSCF wave functions, which is a more affordable alternative. A test set of molecules has been studied with this method, and the stationary geometries and energetics are compared to values in the literature as obtained by other methods. Excited-state geometries computed with state-averaged pair-density functional theory have similar accuracy to those from complete active space perturbation theory at the second-order
Cascade fragmentation : deviation from power law in primary radiation damage
The sizes of defect clusters, produced in materials by energetic ion or neutron impacts, are critically important input for models describing microstructural evolution of irradiated materials. We propose a model for the distribution of sizes of vacancy and self-interstitial defect clusters formed by high-energy impacts in tungsten, and provide new data from in situ ion irradiation experiments to validate the model. The model predicts the statistics of sub-cascade splitting and the resulting distribution of primary defects extending over the entire range of cluster sizes, and is able to provide initial conditions for quantitative multi-scale simulations of microstructural evolution. [GRAPHICS] .Peer reviewe
Semiclassical time--dependent propagation in three dimensions: How accurate is it for a Coulomb potential?
A unified semiclassical time propagator is used to calculate the
semiclassical time-correlation function in three cartesian dimensions for a
particle moving in an attractive Coulomb potential. It is demonstrated that
under these conditions the singularity of the potential does not cause any
difficulties and the Coulomb interaction can be treated as any other
non-singular potential. Moreover, by virtue of our three-dimensional
calculation, we can explain the discrepancies between previous semiclassical
and quantum results obtained for the one-dimensional radial Coulomb problem.Comment: 8 pages, 4 figures (EPS
Inelastic semiclassical Coulomb scattering
We present a semiclassical S-matrix study of inelastic collinear
electron-hydrogen scattering. A simple way to extract all necessary information
from the deflection function alone without having to compute the stability
matrix is described. This includes the determination of the relevant Maslov
indices. Results of singlet and triplet cross sections for excitation and
ionization are reported. The different levels of approximation -- classical,
semiclassical, and uniform semiclassical -- are compared among each other and
to the full quantum result.Comment: 9 figure
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