5,326 research outputs found
Ions in solution: Density Corrected Density Functional Theory (DC-DFT)
Standard density functional approximations often give questionable results
for odd-electron radical complexes, with the error typically attributed to
self-interaction. In density corrected density functional theory (DC-DFT),
certain classes of density functional theory calculations are significantly
improved by using densities more accurate than the self-consistent densities.
We discuss how to identify such cases, and how DC-DFT applies more generally.
To illustrate, we calculate potential energy surfaces of HOCl and
HOHO complexes using various common approximate functionals, with
and without this density correction. Commonly used approximations yield wrongly
shaped surfaces and/or incorrect minima when calculated self consistently,
while yielding almost identical shapes and minima when density corrected. This
improvement is retained even in the presence of implicit solvent
Trends in otolaryngology residency training in the surgical treatment of obstructive sleep apnea
Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/102654/1/lary24325.pd
Type Ia Supernovae and Accretion Induced Collapse
Using the population synthesis binary evolution code StarTrack, we present
theoretical rates and delay times of Type Ia supernovae arising from various
formation channels. These channels include binaries in which the exploding
white dwarf reaches the Chandrasekhar mass limit (DDS, SDS, and helium-rich
donor scenario) as well as the sub-Chandrasekhar mass scenario, in which a
white dwarf accretes from a helium-rich companion and explodes as a SN Ia
before reaching the Chandrasekhar mass limit. We find that using a common
envelope parameterization employing energy balance with alpha=1 and lambda=1,
the supernova rates per unit mass (born in stars) of sub-Chandrasekhar mass SNe
Ia exceed those of all other progenitor channels at epochs t=0.7 - 4 Gyr for a
burst of star formation at t=0. Additionally, the delay time distribution of
the sub-Chandrasekhar model can be divided in to two distinct evolutionary
channels: the `prompt' helium-star channel with delay times < 500 Myr, and the
`delayed' double white dwarf channel with delay times > 800 Myr spanning up to
a Hubble time. These findings are in agreement with recent
observationally-derived delay time distributions which predict that a large
number of SNe Ia have delay times < 1 Gyr, with a significant fraction having
delay times < 500 Myr. We find that the DDS channel is also able to account for
the observed rates of SNe Ia. However, detailed simulations of white dwarf
mergers have shown that most of these mergers will not lead to SNe Ia but
rather to the formation of a neutron star via accretion-induced collapse. If
this is true, our standard population synthesis model predicts that the only
progenitor channel which can account for the rates of SNe Ia is the
sub-Chandrasekhar mass scenario, and none of the other progenitors considered
can fully account for the observed rates.Comment: 6 pages, 1 figure, 1 table, to appear in proceedings for "Binary Star
Evolution: Mass Loss, Accretion and Mergers
Postfledging Survival, Movements, and Dispersal of Ring Ouzels (Turdus torquatus)
We thank Invercauld Estate for cooperation with access to Glen Clunie. S. Redpath, J. Wilson, and S. Roos provided valuable comments on the manuscript. This study was funded by the Royal Society for the Protection of Birds, Scottish Natural Heritage, and the Cairngorms National Park Authority. J.L.L. was supported by the Natural Environment Research Council.Peer reviewedPublisher PD
The reverberation signatures of rotating disc winds in active galactic nuclei
The broad emission lines (BELs) in active galactic nuclei (AGN) respond to
ionizing continuum variations. The time and velocity dependence of their
response depends on the structure of the broad-line region: its geometry,
kinematics and ionization state. Here, we predict the reverberation signatures
of BELs formed in rotating accretion disc winds. We use a Monte Carlo radiative
transfer and ionization code to predict velocity-delay maps for representative
high- (C) and low-ionization (H) emission lines in both high- and
moderate-luminosity AGN. Self-shielding, multiple scattering and the ionization
structure of the outflows are all self-consistently taken into account, while
small-scale structure in the outflow is modelled in the micro-clumping
approximation. Our main findings are: (1) The velocity-delay maps of
smooth/micro-clumped outflows often contain significant negative responses.
(2)~The reverberation signatures of disc wind models tend to be rotation
dominated and can even resemble the classic "red-leads-blue" inflow signature.
(3) Traditional "blue-leads-red" outflow signatures can usually only be
observed in the long-delay limit. (4) Our models predict lag-luminosity
relationships similar to those inferred from observations, but systematically
underpredict the observed centroid delays. (5) The ratio between "virial
product" and black hole mass predicted by our models depends on viewing angle.
Our results imply that considerable care needs to be taken in interpreting data
obtained by observational reverberation mapping campaigns. In particular, basic
signatures such as "red-leads-blue", "blue-leads-red" and "blue and red vary
jointly" are not always reliable indicators of inflow, outflow or rotation.
This may help to explain the perplexing diversity of such signatures seen in
observational campaigns to date.Comment: 15 pages, 17 figures, 2 tables. Accepted by MNRAS 20/7/201
Facing Facts: Facial Injuries from Stand-up Electric Scooters
Background Stand-up electric scooters (SES) are a popular public transportation method. Numerous safety concerns have arisen since their recent introduction. Methods A retrospective chart review was performed to identify patients presenting to the emergency departments in Indianapolis, who sustained SES-related injuries. Results A total of 89 patients were included in our study. The average patient age was 29 ± 12.9 years in a predominantly male cohort (65.2%). No patient was documented as wearing a helmet during the event of injury. Alcohol intoxication was noted in 14.6% of accidents. Falling constituted the leading trauma mechanism (46.1%). Injuries were most common on Saturday (24.7%) from 14h00 to 21h59 (55.1%). Injury types included: abrasions/contusions (33.7%), fractures (31.5%), lacerations (27.0%), or joint injuries (18.0%). The head and neck region (H&N) was the most frequently affected site (42.7%). Operative management under general anesthesia was necessary for 13.5% of injuries. Nonoperative management primarily included conservative orthopedic care (34.8%), pain management with nonsteroidal anti-inflammatory drugs (NSAIDs) (34.8%) and/or opioids (4.5%), bedside laceration repairs (27.0%), and wound dressing (10.1%). Individuals sustaining head and neck injuries were more likely to be older (33.8 vs. 25.7 years, p=0.003), intoxicated by alcohol (29.0% vs. 3.9%, p=0.002), and requiring CT imaging (60.5% vs. 9.8%, p <0.001). Conclusion Although SESs provide a convenient transportation modality, unregulated use raises significant safety concerns. More data need to be collected to guide future safety regulations
Moments of spectral functions: Monte Carlo evaluation and verification
The subject of the present study is the Monte Carlo path-integral evaluation
of the moments of spectral functions. Such moments can be computed by formal
differentiation of certain estimating functionals that are
infinitely-differentiable against time whenever the potential function is
arbitrarily smooth. Here, I demonstrate that the numerical differentiation of
the estimating functionals can be more successfully implemented by means of
pseudospectral methods (e.g., exact differentiation of a Chebyshev polynomial
interpolant), which utilize information from the entire interval . The algorithmic detail that leads to robust numerical
approximations is the fact that the path integral action and not the actual
estimating functional are interpolated. Although the resulting approximation to
the estimating functional is non-linear, the derivatives can be computed from
it in a fast and stable way by contour integration in the complex plane, with
the help of the Cauchy integral formula (e.g., by Lyness' method). An
interesting aspect of the present development is that Hamburger's conditions
for a finite sequence of numbers to be a moment sequence provide the necessary
and sufficient criteria for the computed data to be compatible with the
existence of an inversion algorithm. Finally, the issue of appearance of the
sign problem in the computation of moments, albeit in a milder form than for
other quantities, is addressed.Comment: 13 pages, 2 figure
Type Ia Supernovae and Accretion Induced Collapse
Using the population synthesis binary evolution code StarTrack, we present
theoretical rates and delay times of Type Ia supernovae arising from various
formation channels. These channels include binaries in which the exploding
white dwarf reaches the Chandrasekhar mass limit (DDS, SDS, and helium-rich
donor scenario) as well as the sub-Chandrasekhar mass scenario, in which a
white dwarf accretes from a helium-rich companion and explodes as a SN Ia
before reaching the Chandrasekhar mass limit. We find that using a common
envelope parameterization employing energy balance with alpha=1 and lambda=1,
the supernova rates per unit mass (born in stars) of sub-Chandrasekhar mass SNe
Ia exceed those of all other progenitor channels at epochs t=0.7 - 4 Gyr for a
burst of star formation at t=0. Additionally, the delay time distribution of
the sub-Chandrasekhar model can be divided in to two distinct evolutionary
channels: the `prompt' helium-star channel with delay times < 500 Myr, and the
`delayed' double white dwarf channel with delay times > 800 Myr spanning up to
a Hubble time. These findings are in agreement with recent
observationally-derived delay time distributions which predict that a large
number of SNe Ia have delay times < 1 Gyr, with a significant fraction having
delay times < 500 Myr. We find that the DDS channel is also able to account for
the observed rates of SNe Ia. However, detailed simulations of white dwarf
mergers have shown that most of these mergers will not lead to SNe Ia but
rather to the formation of a neutron star via accretion-induced collapse. If
this is true, our standard population synthesis model predicts that the only
progenitor channel which can account for the rates of SNe Ia is the
sub-Chandrasekhar mass scenario, and none of the other progenitors considered
can fully account for the observed rates.Comment: 6 pages, 1 figure, 1 table, to appear in proceedings for "Binary Star
Evolution: Mass Loss, Accretion and Mergers
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