Deuterium and Oxygen Toward Feige 110: Results from the Far Ultraviolet Spectroscopic Explorer (FUSE) Mission

NASA Technical Reports Server (NTRS)

Friedman, S. D.; Howk, J. C.; Chayer, P.; Tripp, T. M.; Hebrard, G.; Andre, M.; Oliveira, C.; Jenkins, E. B.; Moos, H. W.; Oegerle, William R.

2001-01-01

We present measurements of the column densities of interstellar D I and O I made with the Far Ultraviolet Spectroscopic Explorer (FUSE), and of H I made with the International Ultraviolet Explorer (IUE) toward the sdOB star Feige 110 [(l,b) = (74.09 deg., - 59.07 deg.); d = 179(sup +265, sub -67) pc; Z = -154(sup +57, Sub -227 pc). Our determination of the D I column density made use of curve of growth fitting and profile fitting analyses, while our O I column density determination used only curve of growth techniques. The H I column density was estimated by fitting the damping wings of the interstellar Ly(lpha) profile. We find log N(D I) = 15.47 +/- 0.06, log N(O I) = 16.73 +/- 0.10, and log N(H I) = 20.14(sup +0.13, sub -0.20) (all errors 2(sigma)). This implies D/H = (2.14 +/- 0.82) x 10(esp -5), D/O = (5.50(sup + 1.64, sub -133)) x 10(exp -2), and O/H = (3.89 +/- 1.67) x 10(exp -4). Taken with the FUSE results reported in companion papers and previous measurements of the local interstellar medium, this suggests the possibility of spatial variability in D/H for sight lines exceeding approx. 100 pc. This result may constrain models which characterize the mixing time and length scales of material in the local interstellar medium.

Brain segmentation and the generation of cortical surfaces

NASA Technical Reports Server (NTRS)

Joshi, M.; Cui, J.; Doolittle, K.; Joshi, S.; Van Essen, D.; Wang, L.; Miller, M. I.

1999-01-01

This paper describes methods for white matter segmentation in brain images and the generation of cortical surfaces from the segmentations. We have developed a system that allows a user to start with a brain volume, obtained by modalities such as MRI or cryosection, and constructs a complete digital representation of the cortical surface. The methodology consists of three basic components: local parametric modeling and Bayesian segmentation; surface generation and local quadratic coordinate fitting; and surface editing. Segmentations are computed by parametrically fitting known density functions to the histogram of the image using the expectation maximization algorithm [DLR77]. The parametric fits are obtained locally rather than globally over the whole volume to overcome local variations in gray levels. To represent the boundary of the gray and white matter we use triangulated meshes generated using isosurface generation algorithms [GH95]. A complete system of local parametric quadratic charts [JWM+95] is superimposed on the triangulated graph to facilitate smoothing and geodesic curve tracking. Algorithms for surface editing include extraction of the largest closed surface. Results for several macaque brains are presented comparing automated and hand surface generation. Copyright 1999 Academic Press.

Influence of geographical scale on the detection of density dependence in the host-parasite system, Arvicola terrestris and Taenia taeniaeformis.

PubMed

Deter, J; Berthier, K; Chaval, Y; Cosson, J F; Morand, S; Charbonnel, N

2006-04-01

Infection by the cestode Taenia taeniaeformis was investigated within numerous cyclic populations of the fossorial water vole Arvicola terrestris sampled during 4 years in Franche-Comté (France). The relative influence of different rodent demographic parameters on the presence of this cestode was assessed by considering (1) the demographic phase of the cycle; (2) density at the local geographical scale (<0.1 km2); (3) mean density at a larger scale (>10 km2). The local scale corresponded to the rodent population (intermediate host), while the large scale corresponded to the definitive host population (wild and feral cats). General linear models based on analyses of 1804 voles revealed the importance of local density but also of year, rodent age, season and interactions between year and season and between age and season. Prevalence was significantly higher in low vole densities than during local outbreaks. By contrast, the large geographical scale density and the demographic phase had less influence on infection by the cestode. The potential impacts of the cestode on the fitness of the host were assessed and infection had no effect on the host body mass, litter size or sexual activity of voles.

Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method.

PubMed

Usvyat, Denis

2013-11-21

Theory and implementation of the periodic local MP2-F12 method in the 3*A fixed-amplitude ansatz is presented. The method is formulated in the direct space, employing local representation for the occupied, virtual, and auxiliary orbitals in the form of Wannier functions (WFs), projected atomic orbitals (PAOs), and atom-centered Gaussian-type orbitals, respectively. Local approximations are introduced, restricting the list of the explicitly correlated pairs, as well as occupied, virtual, and auxiliary spaces in the strong orthogonality projector to the pair-specific domains on the basis of spatial proximity of respective orbitals. The 4-index two-electron integrals appearing in the formalism are approximated via the direct-space density fitting technique. In this procedure, the fitting orbital spaces are also restricted to local fit-domains surrounding the fitted densities. The formulation of the method and its implementation exploits the translational symmetry and the site-group symmetries of the WFs. Test calculations are performed on LiH crystal. The results show that the periodic LMP2-F12 method substantially accelerates basis set convergence of the total correlation energy, and even more so the correlation energy differences. The resulting energies are quite insensitive to the resolution-of-the-identity domain sizes and the quality of the auxiliary basis sets. The convergence with the orbital domain size is somewhat slower, but still acceptable. Moreover, inclusion of slightly more diffuse functions, than those usually used in the periodic calculations, improves the convergence of the LMP2-F12 correlation energy with respect to both the size of the PAO-domains and the quality of the orbital basis set. At the same time, the essentially diffuse atomic orbitals from standard molecular basis sets, commonly utilized in molecular MP2-F12 calculations, but problematic in the periodic context, are not necessary for LMP2-F12 treatment of crystals.

CONSTRAINING THE MILKY WAY'S HOT GAS HALO WITH O VII AND O VIII EMISSION LINES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Matthew J.; Bregman, Joel N., E-mail: mjmil@umich.edu, E-mail: jbregman@umich.edu

2015-02-10

The Milky Way hosts a hot (≈2 × 10{sup 6} K), diffuse, gaseous halo based on detections of z = 0 O VII and O VIII absorption lines in quasar spectra and emission lines in blank-sky spectra. Here we improve constraints on the structure of the hot gas halo by fitting a radial model to a much larger sample of O VII and O VIII emission line measurements from XMM-Newton/EPIC-MOS spectra compared to previous studies (≈650 sightlines). We assume a modified β-model for the halo density distribution and a constant-density Local Bubble from which we calculate emission to compare withmore » the observations. We find an acceptable fit to the O VIII emission line observations with χ{sub red}{sup 2} (dof) = 1.08 (644) for best-fit parameters of n{sub o}r{sub c}{sup 3β}=1.35±0.24 cm{sup –3} kpc{sup 3β} and β = 0.50 ± 0.03 for the hot gas halo and negligible Local Bubble contribution. The O VII observations yield an unacceptable χ{sub red}{sup 2} (dof) = 4.69 (645) for similar best-fit parameters, which is likely due to temperature or density variations in the Local Bubble. The O VIII fitting results imply hot gas masses of M(<50 kpc) = 3.8{sub −0.3}{sup +0.3}×10{sup 9} M{sub ⊙} and M(<250 kpc) = 4.3{sub −0.8}{sup +0.9}×10{sup 10} M{sub ⊙}, accounting for ≲50% of the Milky Way's missing baryons. We also explore our results in the context of optical depth effects in the halo gas, the halo gas cooling properties, temperature and entropy gradients in the halo gas, and the gas metallicity distribution. The combination of absorption and emission line analyses implies a sub-solar gas metallicity that decreases with radius, but that also must be ≥0.3 Z {sub ☉} to be consistent with the pulsar dispersion measure toward the Large Magellanic Cloud.« less

Determining the Local Dark Matter Density with SDSS G-dwarf data

NASA Astrophysics Data System (ADS)

Silverwood, Hamish; Sivertsson, Sofia; Read, Justin; Bertone, Gianfranco; Steger, Pascal

2018-04-01

We present a determination of the local dark matter density derived using the integrated Jeans equation method presented in Silverwood et al. (2016) applied to SDSS-SEGUE G-dwarf data processed by Büdenbender et al. (2015). For our analysis we construct models for the tracer density, dark matter and baryon distribution, and tilt term (linking radial and vertical motions), and then calculate the vertical velocity dispersion using the integrated Jeans equation. These models are then fit to the data using MultiNest, and a posterior distribution for the local dark matter density is derived. We find the most reliable determination to come from the α-young population presented in Büdenbender et al. (2015), yielding a result of ρDM = 0.46+0.07 -0.09 GeV cm-3 = 0.012+0.001 -0.002 M⊙ pc-3. Our results also illuminate the path ahead for future analyses using Gaia DR2 data, highlighting which quantities will need to be determined and which assumptions could be relaxed.

Radiation-damped profiles of extremely high column density neutral hydrogen: implications of cosmic reionization

NASA Astrophysics Data System (ADS)

Bach, Kiehunn

2017-01-01

Incorporating the time-dependent second-order perturbation theory for the Lyman scattering cross-section, we investigate the intergalactic absorption profiles of extremely high column density systems near the end of cosmic reionization. Assuming a representative set of the redshift distribution of neutral hydrogen, we quantitatively examined the impact of inhomogeneous density on the intrinsic absorption profiles. The cumulative absorption by neutral patches in the line of sight mainly affects the far off-centre region of the red damping wing, but the effect is not significant. The shape of the line centre can be modified by the near-zone distribution due to high opacities of the near-resonance scattering. On the other hand, the HWHM (half width at half-maximum) as an effective line width is relatively less sensitive to the local inhomogeneity. Specifically, when the two local damping wings of Lyα and Lyβ are close in spectra of the strongly damped systems, accurate profiles of both lines are required. In the case of N_{H I}≲ 10^{21} { cm^{-2}}, the two-level approximation is marginally applicable for the damping wing fit within 5 - 7 per cent errors. However, as the local column density reaches N_{H I}˜ 10^{22.3} { cm^{-2}}, this classical approximation yields a relative error of a 10 per cent overestimation in the red wing and a 20 per cent underestimation in the blue wing of Lyα. If severe extinction by the Lyα forests is carefully subtracted, the intrinsic absorption profile will provide a better constraint on the local ionized states. For practical applications, an analytic fitting function for the Lyβ scattering is derived.

Tables of thermospheric temperature, density and composition derived from satellite and ground based measurements. Volume 3: Ap=100

NASA Technical Reports Server (NTRS)

Hedin, A. E.

1979-01-01

The neutral temperature, neutral densities for N2, O2, O, Ar, He and H, mean molecular weight, and total mass density as predicted by the Mass Spectrometer and Incoherent Scatter empirical thermosphere model are presented in tabular form. The predictions are based on selected altitudes, latitudes, local times, days and other geophysical conditions. The model is dependent on a least squares fit to density data from mass spectrometers on five satellites and temperature data from four incoherent scatter stations, providing coverage for most of solar sunspot cycle 20.

Constraining the Galactic structure parameters with the XSTPS-GAC and SDSS photometric surveys

NASA Astrophysics Data System (ADS)

Chen, B.-Q.; Liu, X.-W.; Yuan, H.-B.; Robin, A. C.; Huang, Y.; Xiang, M.-S.; Wang, C.; Ren, J.-J.; Tian, Z.-J.; Zhang, H.-W.

2017-01-01

Photometric data from the Xuyi Schmidt Telescope Photometric Survey of the Galactic Anticentre (XSTPS-GAC) and the Sloan Digital Sky Survey (SDSS) are used to derive the global structure parameters of the smooth components of the Milky Way. The data, which cover nearly 11 000 deg2 sky area and the full range of Galactic latitude, allow us to construct a globally representative Galactic model. The number density distribution of Galactic halo stars is fitted with an oblate spheroid that decays by power law. The best fitting yields an axis ratio and a power-law index κ = 0.65 and p = 2.79, respectively. The r-band differential star counts of three dwarf samples are then fitted with a Galactic model. The best-fitting model yielded by a Markov Chain Monte Carlo analysis has thin and thick disc scale heights and lengths of H1 = 322 pc and L1 = 2343 pc, H2 = 794 pc and L2 = 3638 pc, a local thick-to-thin disc density ratio of f2 = 11 per cent, and a local density ratio of the oblate halo to the thin disc of fh = 0.16 per cent. The measured star count distribution, which is in good agreement with the above model for most of the sky area, shows a number of statistically significant large-scale overdensities, including some of the previously known substructures, such as the Virgo overdensity and the so-called `north near structure', and a new feature between 150° < l < 240° and -1° < b < -5°, at an estimated distance between 1.0 and 1.5 kpc. The Galactic North-South asymmetry in the anticentre is even stronger than previously thought.

Stress hormones in relation to breeding status and territory location in colonial king penguin: a role for social density?

PubMed

Viblanc, Vincent A; Gineste, Benoit; Stier, Antoine; Robin, Jean-Patrice; Groscolas, René

2014-07-01

Because glucocorticoid (stress) hormones fundamentally affect various aspects of the behaviour, life history and fitness of free-living vertebrates, there is a need to understand the environmental factors shaping their variation in natural populations. Here, we examined whether spatial heterogeneity in breeding territory quality affected the stress of colonial king penguin (Aptenodytes patagonicus). We assessed the effects of local climate (wind, sun and ambient temperature) and social conditions (number of neighbours, distance to neighbours) on the baseline levels of plasma total corticosterone (CORT) in 77 incubating and 42 chick-brooding birds, breeding on territories of central or peripheral colony location. We also assessed the oxidative stress status of a sub-sample of central vs. peripheral chick-brooders to determine whether chronic stress arose from breeding on specific territories. On average, we found that brooders had 55% higher CORT levels than incubators. Regardless of breeding status, central birds experienced greater social density (higher number of neighbours, shorter distance between territories) and had higher CORT levels than peripheral birds. Increasing social density positively explained 40% of the variation in CORT levels of both incubators and brooders, but the effect was more pronounced in brooders. In contrast, climate was similar among breeding territories and did not significantly affect the CORT levels of breeding birds. In brooders, oxidative stress status was not affected by local density or weather conditions. These results highlight that local heterogeneity in breeding (including social) conditions may strongly affect the stress levels of breeding seabirds. The fitness consequences of such variation remain to be investigated.

Entanglement entropy in a one-dimensional disordered interacting system: the role of localization.

PubMed

Berkovits, Richard

2012-04-27

The properties of the entanglement entropy (EE) in one-dimensional disordered interacting systems are studied. Anderson localization leaves a clear signature on the average EE, as it saturates on the length scale exceeding the localization length. This is verified by numerically calculating the EE for an ensemble of disordered realizations using the density matrix renormalization group method. A heuristic expression describing the dependence of the EE on the localization length, which takes into account finite-size effects, is proposed. This is used to extract the localization length as a function of the interaction strength. The localization length dependence on the interaction fits nicely with the expectations.

A systematic way for the cost reduction of density fitting methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kállay, Mihály, E-mail: kallay@mail.bme.hu

2014-12-28

We present a simple approach for the reduction of the size of auxiliary basis sets used in methods exploiting the density fitting (resolution of identity) approximation for electron repulsion integrals. Starting out of the singular value decomposition of three-center two-electron integrals, new auxiliary functions are constructed as linear combinations of the original fitting functions. The new functions, which we term natural auxiliary functions (NAFs), are analogous to the natural orbitals widely used for the cost reduction of correlation methods. The use of the NAF basis enables the systematic truncation of the fitting basis, and thereby potentially the reduction of themore » computational expenses of the methods, though the scaling with the system size is not altered. The performance of the new approach has been tested for several quantum chemical methods. It is demonstrated that the most pronounced gain in computational efficiency can be expected for iterative models which scale quadratically with the size of the fitting basis set, such as the direct random phase approximation. The approach also has the promise of accelerating local correlation methods, for which the processing of three-center Coulomb integrals is a bottleneck.« less

Coupled-cluster, Möller Plesset (MP2), Density Fitted Local MP2, and Density Functional Theory Examination of the Energetic and Structural Features of Hydrophobic Solvation: Water and Pentane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghadar, Yasaman; Clark, Aurora E.

2012-02-02

The interaction potentials between immiscible polar and non-polar solvents are a major driving force behind the formation of liquid:liquid interfaces. In this work, the interaction energy of water–pentane dimer has been determined using coupled-cluster theory with single double (triple) excitations [CCSD(T)], 2nd order Möller Plesset perturbation theory (MP2), density fitted local MP2 (DF-LMP2), as well as density functional theory using a wide variety of density functionals and several different basis sets. The M05-2X exchange correlation functionals exhibit excellent agreement with CCSD(T) and DF-LMP2 after taking into account basis set superposition error. The gas phase water–pentane interaction energy is found tomore » be quite sensitive to the specific pentane isomer (2,2- dimethylpropane vs. n-pentane) and relative orientation of the monomeric constituents. Subsequent solution phase cluster calculations of 2,2-dimethylpropane and n-pentane solvated by water indicate a positive free energy of solvation that is in good agreement with available experimental data. Structural parameters are quite sensitive to the density functional employed and reflect differences in the two-body interaction energy calculated by each method. In contrast, cluster calculations of pentane solvation of H2O solute are found to be inadequate for describing the organic solvent, likely due to limitations associated with the functionals employed (B3LYP, BHandH, and M05-2X).« less

Comparison of an Atomic Model and Its Cryo-EM Image at the Central Axis of a Helix

PubMed Central

He, Jing; Zeil, Stephanie; Hallak, Hussam; McKaig, Kele; Kovacs, Julio; Wriggers, Willy

2016-01-01

Cryo-electron microscopy (cryo-EM) is an important biophysical technique that produces three-dimensional (3D) density maps at different resolutions. Because more and more models are being produced from cryo-EM density maps, validation of the models is becoming important. We propose a method for measuring local agreement between a model and the density map using the central axis of the helix. This method was tested using 19 helices from cryo-EM density maps between 5.5 Å and 7.2 Å resolution and 94 helices from simulated density maps. This method distinguished most of the well-fitting helices, although challenges exist for shorter helices. PMID:27280059

An ecosystem-scale model for the spread of a host-specific forest pathogen in the Greater Yellowstone Ecosystem

USGS Publications Warehouse

Hatala, J.A.; Dietze, M.C.; Crabtree, R.L.; Kendall, Katherine C.; Six, D.; Moorcroft, P.R.

2011-01-01

The introduction of nonnative pathogens is altering the scale, magnitude, and persistence of forest disturbance regimes in the western United States. In the high-altitude whitebark pine (Pinus albicaulis) forests of the Greater Yellowstone Ecosystem (GYE), white pine blister rust (Cronartium ribicola) is an introduced fungal pathogen that is now the principal cause of tree mortality in many locations. Although blister rust eradication has failed in the past, there is nonetheless substantial interest in monitoring the disease and its rate of progression in order to predict the future impact of forest disturbances within this critical ecosystem.This study integrates data from five different field-monitoring campaigns from 1968 to 2008 to create a blister rust infection model for sites located throughout the GYE. Our model parameterizes the past rates of blister rust spread in order to project its future impact on high-altitude whitebark pine forests. Because the process of blister rust infection and mortality of individuals occurs over the time frame of many years, the model in this paper operates on a yearly time step and defines a series of whitebark pine infection classes: susceptible, slightly infected, moderately infected, and dead. In our analysis, we evaluate four different infection models that compare local vs. global density dependence on the dynamics of blister rust infection. We compare models in which blister rust infection is: (1) independent of the density of infected trees, (2) locally density-dependent, (3) locally density-dependent with a static global infection rate among all sites, and (4) both locally and globally density-dependent. Model evaluation through the predictive loss criterion for Bayesian analysis supports the model that is both locally and globally density-dependent. Using this best-fit model, we predicted the average residence times for the four stages of blister rust infection in our model, and we found that, on average, whitebark pine trees within the GYE remain susceptible for 6.7 years, take 10.9 years to transition from slightly infected to moderately infected, and take 9.4 years to transition from moderately infected to dead. Using our best-fit model, we project the future levels of blister rust infestation in the GYE at critical sites over the next 20 years.

Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach

NASA Astrophysics Data System (ADS)

Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide; Christiansen, Ove

2018-02-01

We present an approach to treat sets of general fit-basis functions in a single uniform framework, where the functional form is supplied on input, i.e., the use of different functions does not require new code to be written. The fit-basis functions can be used to carry out linear fits to the grid of single points, which are generated with an adaptive density-guided approach (ADGA). A non-linear conjugate gradient method is used to optimize non-linear parameters if such are present in the fit-basis functions. This means that a set of fit-basis functions with the same inherent shape as the potential cuts can be requested and no other choices with regards to the fit-basis functions need to be taken. The general fit-basis framework is explored in relation to anharmonic potentials for model systems, diatomic molecules, water, and imidazole. The behaviour and performance of Morse and double-well fit-basis functions are compared to that of polynomial fit-basis functions for unsymmetrical single-minimum and symmetrical double-well potentials. Furthermore, calculations for water and imidazole were carried out using both normal coordinates and hybrid optimized and localized coordinates (HOLCs). Our results suggest that choosing a suitable set of fit-basis functions can improve the stability of the fitting routine and the overall efficiency of potential construction by lowering the number of single point calculations required for the ADGA. It is possible to reduce the number of terms in the potential by choosing the Morse and double-well fit-basis functions. These effects are substantial for normal coordinates but become even more pronounced if HOLCs are used.

Mott Transition in GdMnO3: an Ab Initio Study

NASA Astrophysics Data System (ADS)

Ferreira, W. S.; Moreira, E.; Frazão, N. F.

2018-04-01

Orthorhombic GdMnO3 is studied using density functional theory considering the pseudo-potential plane-wave method within local-spin-density approximation, LSDA. The electronic band structure and density of states, for several hydrostatic pressures, are studied. The Mott transition was observed at 60 GPa. Calculated lattice parameters are close to the experimental measurements, and some indirect band gaps (S→Γ) were obtained within the LSDA level of calculation, between the occupied O-2 p and unoccupied Gd-4 f states. The variation of the gap reduces with increasing pressure, being well fitted to a quadratic function.

An Effective Cuckoo Search Algorithm for Node Localization in Wireless Sensor Network.

PubMed

Cheng, Jing; Xia, Linyuan

2016-08-31

Localization is an essential requirement in the increasing prevalence of wireless sensor network (WSN) applications. Reducing the computational complexity, communication overhead in WSN localization is of paramount importance in order to prolong the lifetime of the energy-limited sensor nodes and improve localization performance. This paper proposes an effective Cuckoo Search (CS) algorithm for node localization. Based on the modification of step size, this approach enables the population to approach global optimal solution rapidly, and the fitness of each solution is employed to build mutation probability for avoiding local convergence. Further, the approach restricts the population in the certain range so that it can prevent the energy consumption caused by insignificant search. Extensive experiments were conducted to study the effects of parameters like anchor density, node density and communication range on the proposed algorithm with respect to average localization error and localization success ratio. In addition, a comparative study was conducted to realize the same localization task using the same network deployment. Experimental results prove that the proposed CS algorithm can not only increase convergence rate but also reduce average localization error compared with standard CS algorithm and Particle Swarm Optimization (PSO) algorithm.

An Effective Cuckoo Search Algorithm for Node Localization in Wireless Sensor Network

PubMed Central

Cheng, Jing; Xia, Linyuan

2016-01-01

Localization is an essential requirement in the increasing prevalence of wireless sensor network (WSN) applications. Reducing the computational complexity, communication overhead in WSN localization is of paramount importance in order to prolong the lifetime of the energy-limited sensor nodes and improve localization performance. This paper proposes an effective Cuckoo Search (CS) algorithm for node localization. Based on the modification of step size, this approach enables the population to approach global optimal solution rapidly, and the fitness of each solution is employed to build mutation probability for avoiding local convergence. Further, the approach restricts the population in the certain range so that it can prevent the energy consumption caused by insignificant search. Extensive experiments were conducted to study the effects of parameters like anchor density, node density and communication range on the proposed algorithm with respect to average localization error and localization success ratio. In addition, a comparative study was conducted to realize the same localization task using the same network deployment. Experimental results prove that the proposed CS algorithm can not only increase convergence rate but also reduce average localization error compared with standard CS algorithm and Particle Swarm Optimization (PSO) algorithm. PMID:27589756

Optimal atomic structure of amorphous silicon obtained from density functional theory calculations

NASA Astrophysics Data System (ADS)

Pedersen, Andreas; Pizzagalli, Laurent; Jónsson, Hannes

2017-06-01

Atomic structure of amorphous silicon consistent with several reported experimental measurements has been obtained from annealing simulations using electron density functional theory calculations and a systematic removal of weakly bound atoms. The excess energy and density with respect to the crystal are well reproduced in addition to radial distribution function, angular distribution functions, and vibrational density of states. No atom in the optimal configuration is locally in a crystalline environment as deduced by ring analysis and common neighbor analysis, but coordination defects are present at a level of 1%-2%. The simulated samples provide structural models of this archetypal disordered covalent material without preconceived notion of the atomic ordering or fitting to experimental data.

Relative Density Anomalies Below 200 km as Observed by Aerodynamic Drag on Orbiting Rocket Bodies

NASA Astrophysics Data System (ADS)

Pilinski, M.; Argrow, B.; Palo, S. E.

2011-12-01

We examine the geomagnetic latitude and local solar time dependence of density anomalies as observed by rocket bodies in highly eccentric orbits. Density anomalies are estimated by analyzing the fitted ballistic coefficients produced by the Air Force Space Command's High Accuracy Satellite Drag Model. Particularly, observations of rocket bodies with very low perigee altitudes allow for the examination of density anomalies between 105 km and 200 km altitudes. We evaluate the ability to extract coherent geophysical signals from this data set. Finally, a statistical comparison is made between the low altitude density anomalies and those observed by the CHAMP and GRACE satellites above 300 km. In particular, we search for density enhancements which may be associated with the dayside cusp region.

A space-based climatology of diurnal MLT tidal winds, temperatures and densities from UARS wind measurements

NASA Astrophysics Data System (ADS)

Svoboda, Aaron A.; Forbes, Jeffrey M.; Miyahara, Saburo

2005-11-01

A self-consistent global tidal climatology, useful for comparing and interpreting radar observations from different locations around the globe, is created from space-based Upper Atmosphere Research Satellite (UARS) horizontal wind measurements. The climatology created includes tidal structures for horizontal winds, temperature and relative density, and is constructed by fitting local (in latitude and height) UARS wind data at 95 km to a set of basis functions called Hough mode extensions (HMEs). These basis functions are numerically computed modifications to Hough modes and are globally self-consistent in wind, temperature, and density. We first demonstrate this self-consistency with a proxy data set from the Kyushu University General Circulation Model, and then use a linear weighted superposition of the HMEs obtained from monthly fits to the UARS data to extrapolate the global, multi-variable tidal structure. A brief explanation of the HMEs’ origin is provided as well as information about a public website that has been set up to make the full extrapolated data sets available.

Assessing hypotheses about nesting site occupancy dynamics

USGS Publications Warehouse

Bled, Florent; Royle, J. Andrew; Cam, Emmanuelle

2011-01-01

Hypotheses about habitat selection developed in the evolutionary ecology framework assume that individuals, under some conditions, select breeding habitat based on expected fitness in different habitat. The relationship between habitat quality and fitness may be reflected by breeding success of individuals, which may in turn be used to assess habitat quality. Habitat quality may also be assessed via local density: if high-quality sites are preferentially used, high density may reflect high-quality habitat. Here we assessed whether site occupancy dynamics vary with site surrogates for habitat quality. We modeled nest site use probability in a seabird subcolony (the Black-legged Kittiwake, Rissa tridactyla) over a 20-year period. We estimated site persistence (an occupied site remains occupied from time t to t + 1) and colonization through two subprocesses: first colonization (site creation at the timescale of the study) and recolonization (a site is colonized again after being deserted). Our model explicitly incorporated site-specific and neighboring breeding success and conspecific density in the neighborhood. Our results provided evidence that reproductively "successful'' sites have a higher persistence probability than "unsuccessful'' ones. Analyses of site fidelity in marked birds and of survival probability showed that high site persistence predominantly reflects site fidelity, not immediate colonization by new owners after emigration or death of previous owners. There is a negative quadratic relationship between local density and persistence probability. First colonization probability decreases with density, whereas recolonization probability is constant. This highlights the importance of distinguishing initial colonization and recolonization to understand site occupancy. All dynamics varied positively with neighboring breeding success. We found evidence of a positive interaction between site-specific and neighboring breeding success. We addressed local population dynamics using a site occupancy approach integrating hypotheses developed in behavioral ecology to account for individual decisions. This allows development of models of population and metapopulation dynamics that explicitly incorporate ecological and evolutionary processes.

Reconciling the local void with the CMB

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nadathur, Seshadri; Sarkar, Subir

2011-03-15

In the standard cosmological model, the dimming of distant Type Ia supernovae is explained by invoking the existence of repulsive ''dark energy'' which is causing the Hubble expansion to accelerate. However, this may be an artifact of interpreting the data in an (oversimplified) homogeneous model universe. In the simplest inhomogeneous model which fits the SNe Ia Hubble diagram without dark energy, we are located close to the center of a void modeled by a Lemaitre-Tolman-Bondi metric. It has been claimed that such models cannot fit the cosmic microwave background (CMB) and other cosmological data. This is, however, based on themore » assumption of a scale-free spectrum for the primordial density perturbation. An alternative physically motivated form for the spectrum enables a good fit to both SNe Ia (Constitution/Union2) and CMB (WMAP 7-yr) data, and to the locally measured Hubble parameter. Constraints from baryon acoustic oscillations and primordial nucleosynthesis are also satisfied.« less

Early science from the Pan-STARRS1 Optical Galaxy Survey (POGS): Maps of stellar mass and star formation rate surface density obtained from distributed-computing pixel-SED fitting

NASA Astrophysics Data System (ADS)

Thilker, David A.; Vinsen, K.; Galaxy Properties Key Project, PS1

2014-01-01

To measure resolved galactic physical properties unbiased by the mask of recent star formation and dust features, we are conducting a citizen-scientist enabled nearby galaxy survey based on the unprecedented optical (g,r,i,z,y) imaging from Pan-STARRS1 (PS1). The PS1 Optical Galaxy Survey (POGS) covers 3π steradians (75% of the sky), about twice the footprint of SDSS. Whenever possible we also incorporate ancillary multi-wavelength image data from the ultraviolet (GALEX) and infrared (WISE, Spitzer) spectral regimes. For each cataloged nearby galaxy with a reliable redshift estimate of z < 0.05 - 0.1 (dependent on donated CPU power), publicly-distributed computing is being harnessed to enable pixel-by-pixel spectral energy distribution (SED) fitting, which in turn provides maps of key physical parameters such as the local stellar mass surface density, crude star formation history, and dust attenuation. With pixel SED fitting output we will then constrain parametric models of galaxy structure in a more meaningful way than ordinarily achieved. In particular, we will fit multi-component (e.g. bulge, bar, disk) galaxy models directly to the distribution of stellar mass rather than surface brightness in a single band, which is often locally biased. We will also compute non-parametric measures of morphology such as concentration, asymmetry using the POGS stellar mass and SFR surface density images. We anticipate studying how galactic substructures evolve by comparing our results with simulations and against more distant imaging surveys, some of which which will also be processed in the POGS pipeline. The reliance of our survey on citizen-scientist volunteers provides a world-wide opportunity for education. We developed an interactive interface which highlights the science being produced by each volunteer’s own CPU cycles. The POGS project has already proven popular amongst the public, attracting about 5000 volunteers with nearly 12,000 participating computers, and is growing rapidly.

Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Schiavo, Eduardo; Muñoz-García, Ana B.; Barone, Vincenzo; Vittadini, Andrea; Casarin, Maurizio; Forrer, Daniel; Pavone, Michele

2018-02-01

Common local and semi-local density functionals poorly describe the molecular physisorption on metal surfaces due to the lack of dispersion interactions. In the last decade, several correction schemes have been proposed to amend this fundamental flaw of Density Functional Theory. Using the prototypical case of aromatic molecules adsorbed on Ag(1 1 1), we discuss the accuracy of different dispersion-correction methods and present a reparameterization strategy for the simple and effective DFT-D2. For the adsorption of different aromatic systems on the same metallic substrate, good results at feasible computational costs are achieved by means of a fitting procedure against MP2 data.

Grid-free density functional calculations on periodic systems.

PubMed

Varga, Stefan

2007-09-21

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xalpha exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

Grid-free density functional calculations on periodic systems

NASA Astrophysics Data System (ADS)

Varga, Štefan

2007-09-01

Density fitting scheme is applied to the exchange part of the Kohn-Sham potential matrix in a grid-free local density approximation for infinite systems with translational periodicity. It is shown that within this approach the computational demands for the exchange part scale in the same way as for the Coulomb part. The efficiency of the scheme is demonstrated on a model infinite polymer chain. For simplicity, the implementation with Dirac-Slater Xα exchange functional is presented only. Several choices of auxiliary basis set expansion coefficients were tested with both Coulomb and overlap metric. Their effectiveness is discussed also in terms of robustness and norm preservation.

SDSS-IV MaNGA: environmental dependence of stellar age and metallicity gradients in nearby galaxies

NASA Astrophysics Data System (ADS)

Zheng, Zheng; Wang, Huiyuan; Ge, Junqiang; Mao, Shude; Li, Cheng; Li, Ran; Mo, Houjun; Goddard, Daniel; Bundy, Kevin; Li, Hongyu; Nair, Preethi; Lin, Lihwai; Long, R. J.; Riffel, Rogério; Thomas, Daniel; Masters, Karen; Bizyaev, Dmitry; Brownstein, Joel R.; Zhang, Kai; Law, David R.; Drory, Niv; Roman Lopes, Alexandre; Malanushenko, Olena

2017-03-01

We present a study on the stellar age and metallicity distributions for 1105 galaxies using the STARLIGHT software on MaNGA (Mapping Nearby Galaxies at APO) integral field spectra. We derive age and metallicity gradients by fitting straight lines to the radial profiles, and explore their correlations with total stellar mass M*, NUV - r colour and environments, as identified by both the large-scale structure (LSS) type and the local density. We find that the mean age and metallicity gradients are close to zero but slightly negative, which is consistent with the inside-out formation scenario. Within our sample, we find that both the age and metallicity gradients show weak or no correlation with either the LSS type or local density environment. In addition, we also study the environmental dependence of age and metallicity values at the effective radii. The age and metallicity values are highly correlated with M* and NUV - r and are also dependent on LSS type as well as local density. Low-mass galaxies tend to be younger and have lower metallicity in low-density environments while high-mass galaxies are less affected by environment.

LOFAR observations of the quiet solar corona

NASA Astrophysics Data System (ADS)

Vocks, C.; Mann, G.; Breitling, F.; Bisi, M. M.; Dąbrowski, B.; Fallows, R.; Gallagher, P. T.; Krankowski, A.; Magdalenić, J.; Marqué, C.; Morosan, D.; Rucker, H.

2018-06-01

Context. The quiet solar corona emits meter-wave thermal bremsstrahlung. Coronal radio emission can only propagate above that radius, Rω, where the local plasma frequency equals the observing frequency. The radio interferometer LOw Frequency ARray (LOFAR) observes in its low band (10-90 MHz) solar radio emission originating from the middle and upper corona. Aims: We present the first solar aperture synthesis imaging observations in the low band of LOFAR in 12 frequencies each separated by 5 MHz. From each of these radio maps we infer Rω, and a scale height temperature, T. These results can be combined into coronal density and temperature profiles. Methods: We derived radial intensity profiles from the radio images. We focus on polar directions with simpler, radial magnetic field structure. Intensity profiles were modeled by ray-tracing simulations, following wave paths through the refractive solar corona, and including free-free emission and absorption. We fitted model profiles to observations with Rω and T as fitting parameters. Results: In the low corona, Rω < 1.5 solar radii, we find high scale height temperatures up to 2.2 × 106 K, much more than the brightness temperatures usually found there. But if all Rω values are combined into a density profile, this profile can be fitted by a hydrostatic model with the same temperature, thereby confirming this with two independent methods. The density profile deviates from the hydrostatic model above 1.5 solar radii, indicating the transition into the solar wind. Conclusions: These results demonstrate what information can be gleaned from solar low-frequency radio images. The scale height temperatures we find are not only higher than brightness temperatures, but also than temperatures derived from coronograph or extreme ultraviolet (EUV) data. Future observations will provide continuous frequency coverage. This continuous coverage eliminates the need for local hydrostatic density models in the data analysis and enables the analysis of more complex coronal structures such as those with closed magnetic fields.

Herschel-PACS Observations of Far-IR CO Line Emission in NGC 1068: Highly Excited Molecular Gas in the Circumnuclear Disk

DTIC Science & Technology

2012-08-10

local radiation density. At millimeter wavelengths the background is dominated by the cosmic microwave background (CMB; Kamenetzky et al. 2011), but the...the observed continuum flux density Fν,obs as Jν,ext = Iν,CB + 9 16 Fν,obs Ω , (1) where Iν,CB is the sum of the CMB and cosmic IR background . We take...data, likely due to an imperfect subtraction of the telescope background , and we remove this feature using a higher order baseline fit. The integrated

Power-law partition and entropy production of high-energy cosmic rays: Knee-ankle structure of the all-particle spectrum

NASA Astrophysics Data System (ADS)

Tomaschitz, Roman

2013-10-01

A statistical description of the all-particle cosmic-ray spectrum is given in the 10^{14}\\ \\text{eV} to 10^{20}\\ \\text{eV} interval. The high-energy cosmic-ray flux is modeled as an ultra-relativistic multi-component plasma, whose components constitute a mixture of nearly ideal but nonthermal gases of low density and high temperature. Each plasma component is described by an ultra-relativistic power-law density manifested as spectral peak in the wideband fit. The “knee” and “ankle” features of the high- and ultra-high-energy spectrum turn out to be the global and local extrema of the double-logarithmic E3-scaled flux representation in which the spectral fit is performed. The all-particle spectrum is covered by recent data sets from several air shower arrays, and can be modeled as three-component plasma in the indicated energy range extending over six decades. The temperature, specific number density, internal energy and entropy of each plasma component are extracted from the partial fluxes in the broadband fit. The grand partition function and the extensive entropy functional of a non-equilibrated gas mixture with power-law components are derived in phase space by ensemble averaging.

Bayesian model checking: A comparison of tests

NASA Astrophysics Data System (ADS)

Lucy, L. B.

2018-06-01

Two procedures for checking Bayesian models are compared using a simple test problem based on the local Hubble expansion. Over four orders of magnitude, p-values derived from a global goodness-of-fit criterion for posterior probability density functions agree closely with posterior predictive p-values. The former can therefore serve as an effective proxy for the difficult-to-calculate posterior predictive p-values.

Local electronic effects and irradiation resistance in high-entropy alloys

DOE PAGES

Egami, Takeshi; Stocks, George Malcolm; Nicholson, Don; ...

2015-08-14

High-entropy alloys are multicomponent solid solutions in which various elements with different chemistries and sizes occupy the same crystallographic lattice sites. Thus, none of the atoms perfectly fit the lattice site, giving rise to considerable local lattice distortions and atomic-level stresses. These characteristics can be beneficial for performance under both radiation and in a high-temperature environment, making them attractive candidates as nuclear materials. We discuss electronic origin of the atomic-level stresses based upon first-principles calculations using a density functional theory approach.

Feasibility of generating quantitative composition images in dual energy mammography: a simulation study

NASA Astrophysics Data System (ADS)

Lee, Donghoon; Kim, Ye-seul; Choi, Sunghoon; Lee, Haenghwa; Choi, Seungyeon; Kim, Hee-Joung

2016-03-01

Breast cancer is one of the most common malignancies in women. For years, mammography has been used as the gold standard for localizing breast cancer, despite its limitation in determining cancer composition. Therefore, the purpose of this simulation study is to confirm the feasibility of obtaining tumor composition using dual energy digital mammography. To generate X-ray sources for dual energy mammography, 26 kVp and 39 kVp voltages were generated for low and high energy beams, respectively. Additionally, the energy subtraction and inverse mapping functions were applied to provide compositional images. The resultant images showed that the breast composition obtained by the inverse mapping function with cubic fitting achieved the highest accuracy and least noise. Furthermore, breast density analysis with cubic fitting showed less than 10% error compare to true values. In conclusion, this study demonstrated the feasibility of creating individual compositional images and capability of analyzing breast density effectively.

An atomistic fingerprint algorithm for learning ab initio molecular force fields

NASA Astrophysics Data System (ADS)

Tang, Yu-Hang; Zhang, Dongkun; Karniadakis, George Em

2018-01-01

Molecular fingerprints, i.e., feature vectors describing atomistic neighborhood configurations, is an important abstraction and a key ingredient for data-driven modeling of potential energy surface and interatomic force. In this paper, we present the density-encoded canonically aligned fingerprint algorithm, which is robust and efficient, for fitting per-atom scalar and vector quantities. The fingerprint is essentially a continuous density field formed through the superimposition of smoothing kernels centered on the atoms. Rotational invariance of the fingerprint is achieved by aligning, for each fingerprint instance, the neighboring atoms onto a local canonical coordinate frame computed from a kernel minisum optimization procedure. We show that this approach is superior over principal components analysis-based methods especially when the atomistic neighborhood is sparse and/or contains symmetry. We propose that the "distance" between the density fields be measured using a volume integral of their pointwise difference. This can be efficiently computed using optimal quadrature rules, which only require discrete sampling at a small number of grid points. We also experiment on the choice of weight functions for constructing the density fields and characterize their performance for fitting interatomic potentials. The applicability of the fingerprint is demonstrated through a set of benchmark problems.

Demographic source-sink dynamics restrict local adaptation in Elliott's blueberry (Vaccinium elliottii).

PubMed

Anderson, Jill T; Geber, Monica A

2010-02-01

In heterogeneous landscapes, divergent selection can favor the evolution of locally adapted ecotypes, especially when interhabitat gene flow is minimal. However, if habitats differ in size or quality, source-sink dynamics can shape evolutionary trajectories. Upland and bottomland forests of the southeastern USA differ in water table depth, light availability, edaphic conditions, and plant community. We conducted a multiyear reciprocal transplant experiment to test whether Elliott's blueberry (Vaccinium elliottii) is locally adapted to these contrasting environments. Additionally, we exposed seedlings and cuttings to prolonged drought and flooding in the greenhouse to assess fitness responses to abiotic stress. Contrary to predictions of local adaptation, V. elliottii families exhibited significantly higher survivorship and growth in upland than in bottomland forests and under drought than flooded conditions, regardless of habitat of origin. Neutral population differentiation was minimal, suggesting widespread interhabitat migration. Population density, reproductive output, and genetic diversity were all significantly greater in uplands than in bottomlands. These disparities likely result in asymmetric gene flow from uplands to bottomlands. Thus, adaptation to a marginal habitat can be constrained by small populations, limited fitness, and immigration from a benign habitat. Our study highlights the importance of demography and genetic diversity in the evolution of local (mal)adaptation.

Active spectroscopic measurements of the bulk deuterium properties in the DIII-D tokamak (invited).

PubMed

Grierson, B A; Burrell, K H; Chrystal, C; Groebner, R J; Kaplan, D H; Heidbrink, W W; Muñoz Burgos, J M; Pablant, N A; Solomon, W M; Van Zeeland, M A

2012-10-01

The neutral-beam induced D(α) emission spectrum contains a wealth of information such as deuterium ion temperature, toroidal rotation, density, beam emission intensity, beam neutral density, and local magnetic field strength magnitude |B| from the Stark-split beam emission spectrum, and fast-ion D(α) emission (FIDA) proportional to the beam-injected fast ion density. A comprehensive spectral fitting routine which accounts for all photoemission processes is employed for the spectral analysis. Interpretation of the measurements to determine physically relevant plasma parameters is assisted by the use of an optimized viewing geometry and forward modeling of the emission spectra using a Monte-Carlo 3D simulation code.

Actinide electronic structure and atomic forces

NASA Astrophysics Data System (ADS)

Albers, R. C.; Rudin, Sven P.; Trinkle, Dallas R.; Jones, M. D.

2000-07-01

We have developed a new method[1] of fitting tight-binding parameterizations based on functional forms developed at the Naval Research Laboratory.[2] We have applied these methods to actinide metals and report our success using them (see below). The fitting procedure uses first-principles local-density-approximation (LDA) linear augmented plane-wave (LAPW) band structure techniques[3] to first calculate an electronic-structure band structure and total energy for fcc, bcc, and simple cubic crystal structures for the actinide of interest. The tight-binding parameterization is then chosen to fit the detailed energy eigenvalues of the bands along symmetry directions, and the symmetry of the parameterization is constrained to agree with the correct symmetry of the LDA band structure at each eigenvalue and k-vector that is fit to. By fitting to a range of different volumes and the three different crystal structures, we find that the resulting parameterization is robust and appears to accurately calculate other crystal structures and properties of interest.

The mass distribution and gravitational potential of the Milky Way

NASA Astrophysics Data System (ADS)

McMillan, Paul J.

2017-02-01

We present mass models of the Milky Way created to fit observational constraints and to be consistent with expectations from theoretical modelling. The method used to create these models is that demonstrated in our previous study, and we improve on those models by adding gas discs to the potential, considering the effects of allowing the inner slope of the halo density profile to vary, and including new observations of maser sources in the Milky Way amongst the new constraints. We provide a best-fitting model, as well as estimates of the properties of the Milky Way. Under the assumptions in our main model, we find that the Sun is R0 = 8.20 ± 0.09 kpc from the Galactic Centre, with the circular speed at the Sun being v0 = 232.8 ± 3.0 km s-1; and that the Galaxy has a total stellar mass of (54.3 ± 5.7) × 109 M⊙, a total virial mass of (1.30 ± 0.30) × 1012 M⊙ and a local dark-matter density of 0.40 ± 0.04 GeV cm-3, where the quoted uncertainties are statistical. These values are sensitive to our choice of priors and constraints. We investigate systematic uncertainties, which in some cases may be larger. For example, if we weaken our prior on R0, we find it to be 7.97 ± 0.15 kpc and that v0 = 226.8 ± 4.2 km s-1. We find that most of these properties, including the local dark-matter density, are remarkably insensitive to the assumed power-law density slope at the centre of the dark-matter halo. We find that it is unlikely that the local standard of rest differs significantly from that found under assumptions of axisymmetry. We have made code to compute the force from our potential, and to integrate orbits within it, publicly available.

Observations of circumstellar carbon monoxide and evidence for multiple ejections in red giants

NASA Technical Reports Server (NTRS)

Bernat, A. P.

1981-01-01

Observations of the fundamental 4.6 micron band of CO in nine red giants are presented. A common feature is multiple absorption lines which are identified as products of separate components or shells. Column densities are derived; the relative values should be free of the uncertainties inherent in determining the absolute scale. These column densities are well fitted by single excitation temperatures for each absorption component; these excitation temperatures are identified with the local kinetic temperatures. There is no correlation of CO column density with either gas or dust column density nor of the expansion velocity of the component with its distance from the star. The evidence is reviewed, and it is concluded that mass loss from red giants is most likely episodic in nature.

A model of the SO2 atmosphere and ionosphere of Io

NASA Technical Reports Server (NTRS)

Kumar, S.

1980-01-01

The calculations of thermal structure for an SO2 atmosphere of Io lead to exospheric temperatures in 800-1200 K range. The Pioneer 10 electron density profiles can be fit with an SO2 surface density of 1.2 x 10 to the 11th per cu cm at 5:30 pm local time and exosphere temperature of 1030 K. Low energy electrons provide the major ionization source but the solar UV absorption dominates the heating of the atmosphere due to the long wavelength absorption threshold of SO2 and large absorption cross sections.

Structural and electronic properties of GaAs and GaP semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rani, Anita; Kumar, Ranjan

2015-05-15

The Structural and Electronic properties of Zinc Blende phase of GaAs and GaP compounds are studied using self consistent SIESTA-code, pseudopotentials and Density Functional Theory (DFT) in Local Density Approximation (LDA). The Lattice Constant, Equillibrium Volume, Cohesive Energy per pair, Compressibility and Band Gap are calculated. The band gaps calcultated with DFT using LDA is smaller than the experimental values. The P-V data fitted to third order Birch Murnaghan equation of state provide the Bulk Modulus and its pressure derivatives. Our Structural and Electronic properties estimations are in agreement with available experimental and theoretical data.

Measuring Mars' Atmospheric Neutral Density from 160 to 220km with the MGS Electron Reflectometer

NASA Astrophysics Data System (ADS)

Lillis, R.; Engel, J.; Mitchell, D.; Brain, D.; Lin, R.; Bougher, S.; Acuna, M.

2005-08-01

The Magnetometer/Electron Reflectometer (MAG/ER) experiment aboard Mars Global Surveyor (MGS) samples the local electron population's distribution in energy and pitch angle (angle between electron velocity and local magnetic field direction) at the mapping orbit altitude of ˜400km. We develop a single-particle model of the electrons' interaction with the neutral atmosphere and motion along open field-lines connecting the solar wind to remnant crustal magnetization. Electron reflection from magnetic gradients and absorption due to inelastic collisons with atmospheric neutrals results in characteristic pitch angle (PA) distributions for open field lines. By assuming the validity of spherical harmonic expansions (Cain et al, 2003) in the strongest field regions of Mars (such as Terra Sirenum), we trace the electron paths and fit these PA distributions to our model to constrain the scale height and density of the neutral atmosphere in the region of greatest absorption, 160-220km. We analyse almost 3 martian years of MGS mapping Orbit Data and present the first measurements of Mars' neutral density above 180km. Although the uncertainties in single measurements are quite large, averaging over many measurements over a period of weeks allows us to see long-term trends. Major results are: 1) a mean density of 0.03 kg/km3 at 160km with a month-averaged variation of ˜40%, 2) a very strong annual seasonal variation, confirmed by periodogram and least-squares fit and 3) increasing seasonal density variability with distance from the equator. We see broad general agreement with predictions from Mars Thermosphere Global Circulation Model (MTGCM) simulations [Bougher et al, 2004] and with inferred densities from MGS Doppler tracking data [Tracadas et al, 2001]. Our results will help to constrain the upper boundaries of GCMs and assist orbital decay calculations for low-orbiting spacecraft, such as the 2005 Mars Reconnaissance Orbiter. We thank the NASA Jet Propulsion Laboratory for funding assistance for this research.

Seabirds as indicators of marine food supplies: Cairns revisited

USGS Publications Warehouse

Piatt, John F.; Harding, Ann M.A.; Shultz, Michael T.; Speckman, Suzann G.; van Pelt, Thomas I.; Drew, Gary S.; Kettle, Arthur B.

2007-01-01

In his seminal paper about using seabirds as indicators of marine food supplies, Cairns (1987, Biol Oceanogr 5:261–271) predicted that (1) parameters of seabird biology and behavior would vary in curvilinear fashion with changes in food supply, (2) the threshold of prey density over which birds responded would be different for each parameter, and (3) different seabird species would respond differently to variation in food availability depending on foraging behavior and ability to adjust time budgets. We tested these predictions using data collected at colonies of common murre Uria aalge and black-legged kittiwake Rissa tridactyla in Cook Inlet, Alaska. (1) Of 22 seabird responses fitted with linear and non-linear functions, 16 responses exhibited significant curvilinear shapes, and Akaike’s information criterion (AIC) analysis indicated that curvilinear functions provided the best-fitting model for 12 of those. (2) However, there were few differences among parameters in their threshold to prey density, presumably because most responses ultimately depend upon a single threshold for prey acquisition at sea. (3) There were similarities and some differences in how species responded to variability in prey density. Both murres and kittiwakes minimized variability (CV < 15%) in their own body condition and growth of chicks in the face of high annual variability (CV = 69%) in local prey density. Whereas kittiwake breeding success (CV = 63%, r2 = 0.89) reflected prey variability, murre breeding success did not (CV = 29%, r2< 0.00). It appears that murres were able to buffer breeding success by reallocating discretionary ‘loafing’ time to foraging effort in response (r2 = 0.64) to declining prey density. Kittiwakes had little or no discretionary time, so fledging success was a more direct function of local prey density. Implications of these results for using ‘seabirds as indicators’ are discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang Lan; Liu Chao; Zhao Gang

To constrain the Galactic gravitational potential near the Sun ({approx}1.5 kpc), we derive and model the spatial and velocity distributions for a sample of 9000 K-dwarfs with spectra from SDSS/SEGUE, which yield radial velocities and abundances ([Fe/H] and [{alpha}/Fe]). We first derive the spatial density distribution for three abundance-selected sub-populations of stars accounting for the survey's selection function. The vertical profiles of these sub-populations are simple exponentials and their vertical dispersion profile is nearly isothermal. To model these data, we apply the 'vertical' Jeans equation, which relates the observable tracer number density and vertical velocity dispersion to the gravitational potentialmore » or vertical force. We explore a number of functional forms for the vertical force law, fit the dispersion and density profiles of all abundance-selected sub-populations simultaneously in the same potential, and explore all parameter co-variances using a Markov Chain Monte Carlo technique. Our fits constrain a disk mass scale height {approx}< 300 pc and the total surface mass density to be 67 {+-} 6 M{sub Sun} pc{sup -2} at |z| = 1.0 kpc of which the contribution from all stars is 42 {+-} 5 M{sub Sun} pc{sup -2} (assuming a contribution from cold gas of 13 M{sub Sun} pc{sup -2}). We find significant constraints on the local dark matter density of 0.0065 {+-} 0.0023 M{sub Sun} pc{sup -3} (0.25 {+-} 0.09 GeV cm{sup -3}). Together with recent experiments this firms up the best estimate of 0.0075 {+-} 0.0021 M{sub Sun} pc{sup -3} (0.28 {+-} 0.08 GeV cm{sup -3}), consistent with global fits of approximately round dark matter halos to kinematic data in the outskirts of the Galaxy.« less

Electron and hole transport in ambipolar, thin film pentacene transistors

NASA Astrophysics Data System (ADS)

Saudari, Sangameshwar R.; Kagan, Cherie R.

2015-01-01

Solution-processed, ambipolar, thin-film pentacene field-effect transistors were employed to study both electron and hole transport simultaneously in a single, organic solid-state device. Electron and hole mobilities were extracted from the respective unipolar saturation regimes and show thermally activated behavior and gate voltage dependence. We fit the gate voltage dependent saturation mobility to a power law to extract the characteristic Meyer-Neldel (MN) energy, a measure of the width of the exponential distribution of localized states extending into the energy gap of the organic semiconductor. The MN energy is ˜78 and ˜28 meV for electrons and holes, respectively, which reflects a greater density of localized tail states for electrons than holes. This is consistent with the lower measured electron than hole mobility. For holes, the well-behaved linear regime allows for four-point probe measurement of the contact resistance independent mobility and separate characterization of the width of the localized density of states, yielding a consistent MN energy of 28 meV.

Defining stem profile model for wood valuation of red pine in Ontario and Michigan with consideration of stand density influence on tree taper

Treesearch

W. T. Zakrzewski; M. Penner; D. W. MacFarlane

2007-01-01

As part of the Canada-United States Great Lakes Stem Profile Modelling Project, established to support the local timber production process and to enable cross-border comparisons of timber volumes, here we present results of fitting Zakrzewski's (1999) stem profile model for red pine (Pinus resinosa Ait.) growing in Michigan, United States, and...

Density functional with full exact exchange, balanced nonlocality of correlations, and constraint satisfaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, Jianmin; Perdew, John P; Staroverov, Viktor N

2008-01-01

We construct a nonlocal density functional approximation with full exact exchange, while preserving the constraint-satisfaction approach and justified error cancellations of simpler semilocal functionals. This is achieved by interpolating between different approximations suitable for two extreme regions of the electron density. In a 'normal' region, the exact exchange-correlation hole density around an electron is semilocal because its spatial range is reduced by correlation and because it integrates over a narrow range to -1. These regions are well described by popular semilocal approximations (many of which have been constructed nonempirically), because of proper accuracy for a slowly-varying density or because ofmore » error cancellation between exchange and correlation. 'Abnormal' regions, where non locality is unveiled, include those in which exchange can dominate correlation (one-electron, nonuniform high-density, and rapidly-varying limits), and those open subsystems of fluctuating electron number over which the exact exchange-correlation hole integrates to a value greater than -1. Regions between these extremes are described by a hybrid functional mixing exact and semi local exchange energy densities locally (i.e., with a mixing fraction that is a function of position r and a functional of the density). Because our mixing fraction tends to 1 in the high-density limit, we employ full exact exchange according to the rigorous definition of the exchange component of any exchange-correlation energy functional. Use of full exact exchange permits the satisfaction of many exact constraints, but the nonlocality of exchange also requires balanced nonlocality of correlation. We find that this nonlocality can demand at least five empirical parameters (corresponding roughly to the four kinds of abnormal regions). Our local hybrid functional is perhaps the first accurate size-consistent density functional with full exact exchange. It satisfies other known exact constraints, including exactness for all one-electron densities, and provides an excellent, fit 1.0 the 223 molecular enthalpies of formation of the G3/99 set and the 42 reaction barrier heights of the BH42/03 set, improving both (but especially the latter) over most semilocal functionals and global hybrids. Exact constraints, physical insights, and paradigm examples hopefully suppress 'overfitting'.« less

Exposing hidden alternative backbone conformations in X-ray crystallography using qFit

DOE PAGES

Keedy, Daniel A.; Fraser, James S.; van den Bedem, Henry; ...

2015-10-27

Proteins must move between different conformations of their native ensemble to perform their functions. Crystal structures obtained from high-resolution X-ray diffraction data reflect this heterogeneity as a spatial and temporal conformational average. Although movement between natively populated alternative conformations can be critical for characterizing molecular mechanisms, it is challenging to identify these conformations within electron density maps. Alternative side chain conformations are generally well separated into distinct rotameric conformations, but alternative backbone conformations can overlap at several atomic positions. Our model building program qFit uses mixed integer quadratic programming (MIQP) to evaluate an extremely large number of combinations of sidechainmore » conformers and backbone fragments to locally explain the electron density. Here, we describe two major modeling enhancements to qFit: peptide flips and alternative glycine conformations. We find that peptide flips fall into four stereotypical clusters and are enriched in glycine residues at the n+1 position. The potential for insights uncovered by new peptide flips and glycine conformations is exemplified by HIV protease, where different inhibitors are associated with peptide flips in the “flap” regions adjacent to the inhibitor binding site. Our results paint a picture of peptide flips as conformational switches, often enabled by glycine flexibility, that result in dramatic local rearrangements. Our results furthermore demonstrate the power of large-scale computational analysis to provide new insights into conformational heterogeneity. Furthermore, improved modeling of backbone heterogeneity with high-resolution X-ray data will connect dynamics to the structure-function relationship and help drive new design strategies for inhibitors of biomedically important systems.« less

Determination of the thickness of Al2O3 barriers in magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Buchanan, J. D. R.; Hase, T. P. A.; Tanner, B. K.; Hughes, N. D.; Hicken, R. J.

2002-07-01

The barrier thickness in magnetic spin-dependent tunnel junctions with Al2O3 barriers has been measured using grazing incidence x-ray reflectivity and by fitting the tunneling current to the Simmons model. We have studied the effect of glow discharge oxidation time on the barrier structure, revealing a substantial increase in Al2O3 thickness with oxidation. The greater thickness of barrier measured using grazing incidence x-ray reflectivity compared with that obtained by fitting current density-voltage to the Simmons electron tunneling model suggests that electron tunneling is localized to specific regions across the barrier, where the thickness is reduced by fluctuations due to nonconformal roughness.

Density-dependent natal dispersal patterns in a leopard population recovering from over-harvest.

PubMed

Fattebert, Julien; Balme, Guy; Dickerson, Tristan; Slotow, Rob; Hunter, Luke

2015-01-01

Natal dispersal enables population connectivity, gene flow and metapopulation dynamics. In polygynous mammals, dispersal is typically male-biased. Classically, the 'mate competition', 'resource competition' and 'resident fitness' hypotheses predict density-dependent dispersal patterns, while the 'inbreeding avoidance' hypothesis posits density-independent dispersal. In a leopard (Panthera pardus) population recovering from over-harvest, we investigated the effect of sex, population density and prey biomass, on age of natal dispersal, distance dispersed, probability of emigration and dispersal success. Over an 11-year period, we tracked 35 subadult leopards using VHF and GPS telemetry. Subadult leopards initiated dispersal at 13.6 ± 0.4 months. Age at commencement of dispersal was positively density-dependent. Although males (11.0 ± 2.5 km) generally dispersed further than females (2.7 ± 0.4 km), some males exhibited opportunistic philopatry when the population was below capacity. All 13 females were philopatric, while 12 of 22 males emigrated. Male dispersal distance and emigration probability followed a quadratic relationship with population density, whereas female dispersal distance was inversely density-dependent. Eight of 12 known-fate females and 5 of 12 known-fate male leopards were successful in settling. Dispersal success did not vary with population density, prey biomass, and for males, neither between dispersal strategies (philopatry vs. emigration). Females formed matrilineal kin clusters, supporting the resident fitness hypothesis. Conversely, mate competition appeared the main driver for male leopard dispersal. We demonstrate that dispersal patterns changed over time, i.e. as the leopard population density increased. We conclude that conservation interventions that facilitated local demographic recovery in the study area also restored dispersal patterns disrupted by unsustainable harvesting, and that this indirectly improved connectivity among leopard populations over a larger landscape.

The Local Dark Matter Density from SDSS-SEGUE G-dwarfs

NASA Astrophysics Data System (ADS)

Sivertsson, S.; Silverwood, H.; Read, J. I.; Bertone, G.; Steger, P.

2018-04-01

We derive the local dark matter density by applying the integrated Jeans equation method from Silverwood et al. (2016) to SDSS-SEGUE G-dwarf data processed and presented by Büdenbender et al. (2015).. We use the MULTINEST Bayesian nested sampling software to fit a model for the baryon distribution, dark matter and tracer stars, including a model for the `tilt term' that couples the vertical and radial motions, to the data. The α-young population from Büdenbender et al. (2015) yields the most reliable result of ρ _dm= 0.46^{+0.07}_{-0.08} {GeV cm}^{-3}= 0.012^{+0.002}_{-0.002} M_⊙ pc^{-3}. Our analyses yield inconsistent results for the α-young and α-old data, pointing to problems in the tilt term and its modelling, the data itself, the assumption of a flat rotation curve, or the effects of disequilibria.

Accurate polarimeter with multicapture fitting for plastic lens evaluation

NASA Astrophysics Data System (ADS)

Domínguez, Noemí; Mayershofer, Daniel; Garcia, Cristina; Arasa, Josep

2016-02-01

Due to their manufacturing process, plastic injection molded lenses do not achieve a constant density throughout their volume. This change of density introduces tensions in the material, inducing local birefringence, which in turn is translated into a variation of the ordinary and extraordinary refractive indices that can be expressed as a retardation phase plane using the Jones matrix notation. The detection and measurement of the value of the retardation of the phase plane are therefore very useful ways to evaluate the quality of plastic lenses. We introduce a polariscopic device to obtain two-dimensional maps of the tension distribution in the bulk of a lens, based on detection of the local birefringence. In addition to a description of the device and the mathematical approach used, a set of initial measurements is presented that confirms the validity of the developed system for the testing of the uniformity of plastic lenses.

Crystal structure optimisation using an auxiliary equation of state

NASA Astrophysics Data System (ADS)

Jackson, Adam J.; Skelton, Jonathan M.; Hendon, Christopher H.; Butler, Keith T.; Walsh, Aron

2015-11-01

Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy-volume curve, fitting an equation of state around the equilibrium cell volume. This is a computationally intensive process, in particular, for low-symmetry crystal structures where each isochoric optimisation involves energy minimisation over many degrees of freedom. Such procedures can be prohibitive for non-local exchange-correlation functionals or other "beyond" density functional theory electronic structure techniques, particularly where analytical gradients are not available. We present a simple approach for efficient optimisation of crystal structures based on a known equation of state. The equilibrium volume can be predicted from one single-point calculation and refined with successive calculations if required. The approach is validated for PbS, PbTe, ZnS, and ZnTe using nine density functionals and applied to the quaternary semiconductor Cu2ZnSnS4 and the magnetic metal-organic framework HKUST-1.

Modifying the baricity of local anesthetics for spinal anesthesia by temperature adjustment: model calculations.

PubMed

Heller, Axel R; Zimmermann, Katrin; Seele, Kristin; Rössel, Thomas; Koch, Thea; Litz, Rainer J

2006-08-01

Although local anesthetics (LAs) are hyperbaric at room temperature, density drops within minutes after administration into the subarachnoid space. LAs become hypobaric and therefore may cranially ascend during spinal anesthesia in an uncontrolled manner. The authors hypothesized that temperature and density of LA solutions have a nonlinear relation that may be described by a polynomial equation, and that conversion of this equation may provide the temperature at which individual LAs are isobaric. Density of cerebrospinal fluid was measured using a vibrating tube densitometer. Temperature-dependent density data were obtained from all LAs commonly used for spinal anesthesia, at least in triplicate at 5 degrees, 20 degrees, 30 degrees, and 37 degrees C. The hypothesis was tested by fitting the obtained data into polynomial mathematical models allowing calculations of substance-specific isobaric temperatures. Cerebrospinal fluid at 37 degrees C had a density of 1.000646 +/- 0.000086 g/ml. Three groups of local anesthetics with similar temperature (T, degrees C)-dependent density (rho) characteristics were identified: articaine and mepivacaine, rho1(T) = 1.008-5.36 E-06 T2 (heavy LAs, isobaric at body temperature); L-bupivacaine, rho2(T) = 1.007-5.46 E-06 T2 (intermediate LA, less hypobaric than saline); bupivacaine, ropivacaine, prilocaine, and lidocaine, rho3(T) = 1.0063-5.0 E-06 T (light LAs, more hypobaric than saline). Isobaric temperatures (degrees C) were as follows: 5 mg/ml bupivacaine, 35.1; 5 mg/ml L-bupivacaine, 37.0; 5 mg/ml ropivacaine, 35.1; 20 mg/ml articaine, 39.4. Sophisticated measurements and mathematic models now allow calculation of the ideal injection temperature of LAs and, thus, even better control of LA distribution within the cerebrospinal fluid. The given formulae allow the adaptation on subpopulations with varying cerebrospinal fluid density.

Allee effect: the story behind the stabilization or extinction of microbial ecosystem.

PubMed

Goswami, Madhurankhi; Bhattacharyya, Purnita; Tribedi, Prosun

2017-03-01

A population exhibiting Allee effect shows a positive correlation between population fitness and population size or density. Allee effect decides the extinction or conservation of a microbial population and thus appears to be an important criterion in population ecology. The underlying factor of Allee effect that decides the stabilization and extinction of a particular population density is the threshold or the critical density of their abundance. According to Allee, microbial populations exhibit a definite, critical or threshold density, beyond which the population fitness of a particular population increases with the rise in population density and below it, the population fitness goes down with the decrease in population density. In particular, microbial population displays advantageous traits such as biofilm formation, expression of virulence genes, spore formation and many more only at a high population density. It has also been observed that microorganisms exhibiting a lower population density undergo complete extinction from the residual microbial ecosystem. In reference to Allee effect, decrease in population density or size introduces deleterious mutations among the population density through genetic drift. Mutations are carried forward to successive generations resulting in its accumulation among the population density thus reducing its microbial fitness and thereby increasing the risk of extinction of a particular microbial population. However, when the microbial load is high, the chance of genetic drift is less, and through the process of biofilm formation, the cooperation existing among the microbial population increases that increases the microbial fitness. Thus, the high microbial population through the formation of microbial biofilm stabilizes the ecosystem by increasing fitness. Taken together, microbial fitness shows positive correlation with the ecosystem conservation and negative correlation with ecosystem extinction.

Statistical analysis of suprathermal electron drivers at 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Broiles, Thomas W.; Burch, J. L.; Chae, K.; Clark, G.; Cravens, T. E.; Eriksson, A.; Fuselier, S. A.; Frahm, R. A.; Gasc, S.; Goldstein, R.; Henri, P.; Koenders, C.; Livadiotis, G.; Mandt, K. E.; Mokashi, P.; Nemeth, Z.; Odelstad, E.; Rubin, M.; Samara, M.

2016-11-01

We use observations from the Ion and Electron Sensor (IES) on board the Rosetta spacecraft to study the relationship between the cometary suprathermal electrons and the drivers that affect their density and temperature. We fit the IES electron observations with the summation of two kappa distributions, which we characterize as a dense and warm population (˜10 cm-3 and ˜16 eV) and a rarefied and hot population (˜0.01 cm-3 and ˜43 eV). The parameters of our fitting technique determine the populations' density, temperature, and invariant kappa index. We focus our analysis on the warm population to determine its origin by comparing the density and temperature with the neutral density and magnetic field strength. We find that the warm electron population is actually two separate sub-populations: electron distributions with temperatures above 8.6 eV and electron distributions with temperatures below 8.6 eV. The two sub-populations have different relationships between their density and temperature. Moreover, the two sub-populations are affected by different drivers. The hotter sub-population temperature is strongly correlated with neutral density, while the cooler sub-population is unaffected by neutral density and is only weakly correlated with magnetic field strength. We suggest that the population with temperatures above 8.6 eV is being heated by lower hybrid waves driven by counterstreaming solar wind protons and newly formed, cometary ions created in localized, dense neutral streams. To the best of our knowledge, this represents the first observations of cometary electrons heated through wave-particle interactions.

Microscopically based energy density functionals for nuclei using the density matrix expansion. II. Full optimization and validation

NASA Astrophysics Data System (ADS)

Navarro Pérez, R.; Schunck, N.; Dyhdalo, A.; Furnstahl, R. J.; Bogner, S. K.

2018-05-01

Background: Energy density functional methods provide a generic framework to compute properties of atomic nuclei starting from models of nuclear potentials and the rules of quantum mechanics. Until now, the overwhelming majority of functionals have been constructed either from empirical nuclear potentials such as the Skyrme or Gogny forces, or from systematic gradient-like expansions in the spirit of the density functional theory for atoms. Purpose: We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. Methods: Our energy functional comprises two main components. The first component is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. Contributions to the mean field and the energy of this term are computed by expanding the spatial, finite-range components of the chiral potential onto Gaussian functions. The second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. Results: We obtain a set of microscopically constrained functionals for local chiral potentials from leading order up to next-to-next-to-leading order with and without three-body forces and contributions from Δ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure in closed-shell nuclei, and the fission barrier of 240Pu. Quantitatively, they perform noticeably better than the more phenomenological Skyrme functionals. Conclusions: The inclusion of higher-order terms in the chiral perturbation expansion seems to produce a systematic improvement in predicting nuclear binding energies while the impact on other observables is not really significant. This result is especially promising since all the fits have been performed at the single-reference level of the energy density functional approach, where important collective correlations such as center-of-mass correction, rotational correction, or zero-point vibrational energies have not been taken into account yet.

The density of cometary protons upstream of Comet Halley's bow shock

NASA Astrophysics Data System (ADS)

Neugebauer, M.; Goldstein, B. E.; Balsiger, H.; Neubauer, F. M.; Schwenn, R.; Shelley, E. G.

1989-02-01

Cometary protons picked up by the solar wind were detected by the high energy range spectrometer of the Giotto ion mass spectrometer starting at a cometocentric distance of about 12 million km. On the average, the density of cometary protons varied approximately as the inverse square of the cometocentric distance, reaching a value of 0.11/cu cm just outside the bow shock. The data can be successfully fit to models that include substantial amounts of both slow (1 km/s) and fast (8 km/s or greater) H atoms beyond the bow shock. Large local variations in the density of picked-up protons can be explained on the basis of variations in the direction of the interplanetary magnetic field in upstream regions where pitch angle scattering was weak.

Detection of the SO2 atmosphere on Io with the Hubble Space Telescope

NASA Technical Reports Server (NTRS)

Ballester, G. E.; Mcgrath, M. A.; Stobel, D. F.; Zhu, Xun; Feldman, P. D.; Moos, H. W.

1994-01-01

Observations of the trailing hemisphere of Io made with the Faint Object Spectrograph of the Hubble Space Telescope (HST) in March 1992 have resulted in the first detection of atmospheric SO2 absorption bands in the ultraviolet. These observations represent only the third positive means of detection of what is widely believed to be Io's primary atmospheric constituent. Below approximately 2130 A the geometric albedo of the satellite is dominated by SO2 gas absorption band signatures, which have been analyzed using models that include the effects of optical thickness, temperature, and spatial distribution. The disk-intergrated HST data cannot resolve the spatial distribution, but it is possible to define basic properties and set constraints on the atmosphere at the time of the observations. Hemispheric atmospheres with average column density N = 6 - 10 x 10(exp 15)/sq sm and T(gas) = 110 - 500 K fit the data, with preference for temperatures of approximately 200 - 250 K. Better fits are found as the atmosphere is spatially confined, with a limit of approximately 8% hemispheric areal coverage and N approximately equal to 3 x 10(exp 17)/sq cm with colder 110 - 250 K temepratures. A dense (N greater than or equal to 10(exp 16)/sq cm), localized component of SO2 gas, such as that possibly associated with active volcanoes, can generate the observed spectral constrast only when the atmosphere is cold (110 K) and an extended component such as Pele is included. The combination of a dense, localized atmosphere with a tenuous component (N less than 10(exp 16)/sq cm, either patchy or extended) also fits the data. In all cases the best fit models imply a disk-averaged column density larger than exospheric but approximately 10 - 30 times less than the previous upper limit from near-UV observations.

Videodensitometric Methods for Cardiac Output Measurements

NASA Astrophysics Data System (ADS)

Mischi, Massimo; Kalker, Ton; Korsten, Erik

2003-12-01

Cardiac output is often measured by indicator dilution techniques, usually based on dye or cold saline injections. Developments of more stable ultrasound contrast agents (UCA) are leading to new noninvasive indicator dilution methods. However, several problems concerning the interpretation of dilution curves as detected by ultrasound transducers have arisen. This paper presents a method for blood flow measurements based on UCA dilution. Dilution curves are determined by real-time densitometric analysis of the video output of an ultrasound scanner and are automatically fitted by the Local Density Random Walk model. A new fitting algorithm based on multiple linear regression is developed. Calibration, that is, the relation between videodensity and UCA concentration, is modelled by in vitro experimentation. The flow measurement system is validated by in vitro perfusion of SonoVue contrast agent. The results show an accurate dilution curve fit and flow estimation with determination coefficient larger than 0.95 and 0.99, respectively.

Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

PubMed

Tao, Jianmin; Mo, Yuxiang

2016-08-12

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

Social causes of correlational selection and the resolution of a heritable throat color polymorphism in a lizard.

PubMed

Sinervo, B; Bleay, C; Adamopoulou, C

2001-10-01

When selection acts on social or behavioral traits, the fitness of an individual depends on the phenotypes of its competitors. Here, we describe methods and statistical inference for measuring natural selection in small social groups. We measured selection on throat color alleles that arises from microgeographic variation in allele frequency at natal sites of side-blotched lizards (Uta stansburiana). Previous game-theoretic analysis indicates that two color morphs of female side-blotched lizards are engaged in an offspring quantity-quality game that promotes a density- and frequency-dependent cycle. Orange-throated females are r-strategists. They lay large clutches of small progeny, which have poor survival at high density, but good survival at low density. In contrast, yellow-throated females are K-strategists. They lay small clutches of large progeny, which have good survival at high density. We tested three predictions of the female game: (1) orange progeny should have a fitness advantage at low density; (2) correlational selection acts to couple color alleles and progeny size; and (3) this correlational selection arises from frequency-dependent selection in which large hatchling size confers an advantage, but only when yellow alleles are rare. We also confirmed the heritability of color, and therefore its genetic basis, by producing progeny from controlled matings. A parsimonious cause of the high heritability is that three alleles (o, b, y) segregate as one genetic factor. We review the physiology of color formation to explain the possible genetic architecture of the throat color trait. Heritability of color was nearly additive in our breeding study, allowing us to compute a genotypic value for each individual and thus predict the frequency of progeny alleles released on 116 plots. Rather than study the fitness of individual progeny, we studied how the fitness of their color alleles varied with allele frequency on plots. We confirmed prediction 1: When orange alleles are present in female progeny, they have higher fitness at low density when compared to other alleles. Even though the difference in egg size of the female morphs was small (0.02 g), it led to knife-edged survival effects for their progeny depending on local social context. Selection on hatchling survival was not only dependent on color alleles, but on a fitness interaction between color alleles and hatchling size, which confirmed prediction 2. Sire effects, which are not confounded by maternal phenotype, allowed us to resolve the frequency dependence of correlational selection on egg size and color alleles and thereby confirmed prediction 3. Selection favored large size when yellow sire alleles were rare, but small size when they were common. Correlational selection promotes the formation of a self-reinforcing genetic correlation between the morphs and life-history variation, which causes selection in the next density and frequency cycle to be exacerbated. We discuss general conditions for the evolution of self-reinforcing genetic correlations that arise from social selection associated with frequency-dependent sexual and natural selection.

Fitness, Heart Disease, and High-Density Lipoproteins: A Look at the Relationships.

ERIC Educational Resources Information Center

McCunney, Robert J.

1987-01-01

The role of fitness in preventing coronary heart disease is explored. Research on high-density lipoprotein, which has been found to be one of the most critical determinants of risk, is reviewed. The relationship between fitness, high-density lipoprotein, and coronary heart disease is assessed, and clinical implications are spelled out. (MT)

Fingerprint-Based Structure Retrieval Using Electron Density

PubMed Central

Yin, Shuangye; Dokholyan, Nikolay V.

2010-01-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. PMID:21287628

Fingerprint-based structure retrieval using electron density.

PubMed

Yin, Shuangye; Dokholyan, Nikolay V

2011-03-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. Copyright © 2010 Wiley-Liss, Inc.

Improved localization accuracy in stochastic super-resolution fluorescence microscopy by K-factor image deshadowing

PubMed Central

Ilovitsh, Tali; Meiri, Amihai; Ebeling, Carl G.; Menon, Rajesh; Gerton, Jordan M.; Jorgensen, Erik M.; Zalevsky, Zeev

2013-01-01

Localization of a single fluorescent particle with sub-diffraction-limit accuracy is a key merit in localization microscopy. Existing methods such as photoactivated localization microscopy (PALM) and stochastic optical reconstruction microscopy (STORM) achieve localization accuracies of single emitters that can reach an order of magnitude lower than the conventional resolving capabilities of optical microscopy. However, these techniques require a sparse distribution of simultaneously activated fluorophores in the field of view, resulting in larger time needed for the construction of the full image. In this paper we present the use of a nonlinear image decomposition algorithm termed K-factor, which reduces an image into a nonlinear set of contrast-ordered decompositions whose joint product reassembles the original image. The K-factor technique, when implemented on raw data prior to localization, can improve the localization accuracy of standard existing methods, and also enable the localization of overlapping particles, allowing the use of increased fluorophore activation density, and thereby increased data collection speed. Numerical simulations of fluorescence data with random probe positions, and especially at high densities of activated fluorophores, demonstrate an improvement of up to 85% in the localization precision compared to single fitting techniques. Implementing the proposed concept on experimental data of cellular structures yielded a 37% improvement in resolution for the same super-resolution image acquisition time, and a decrease of 42% in the collection time of super-resolution data with the same resolution. PMID:24466491

Adaptive nest clustering and density-dependent nest survival in dabbling ducks

USGS Publications Warehouse

Ringelman, Kevin M.; Eadie, John M.; Ackerman, Joshua T.

2014-01-01

Density-dependent population regulation is observed in many taxa, and understanding the mechanisms that generate density dependence is especially important for the conservation of heavily-managed species. In one such system, North American waterfowl, density dependence is often observed at continental scales, and nest predation has long been implicated as a key factor driving this pattern. However, despite extensive research on this topic, it remains unclear if and how nest density influences predation rates. Part of this confusion may have arisen because previous studies have studied density-dependent predation at relatively large spatial and temporal scales. Because the spatial distribution of nests changes throughout the season, which potentially influences predator behavior, nest survival may vary through time at relatively small spatial scales. As such, density-dependent nest predation might be more detectable at a spatially- and temporally-refined scale and this may provide new insights into nest site selection and predator foraging behavior. Here, we used three years of data on nest survival of two species of waterfowl, mallards and gadwall, to more fully explore the relationship between local nest clustering and nest survival. Throughout the season, we found that the distribution of nests was consistently clustered at small spatial scales (˜50–400 m), especially for mallard nests, and that this pattern was robust to yearly variation in nest density and the intensity of predation. We demonstrated further that local nest clustering had positive fitness consequences – nests with closer nearest neighbors were more likely to be successful, a result that is counter to the general assumption that nest predation rates increase with nest density.

A model for the formation of the Local Group

NASA Technical Reports Server (NTRS)

Peebles, P. J. E.; Melott, A. L.; Holmes, M. R.; Jiang, L. R.

1989-01-01

Observational tests of a model for the formation of the Local Group are presented and analyzed in which the mass concentration grows by gravitational accretion of local-pressure matter onto two seed masses in an otherwise homogeneous initial mass distribution. The evolution of the mass distribution is studied in an analytic approximation and a numerical computation. The initial seed mass and separation are adjusted to produce the observed present separation and relative velocity of the Andromeda Nebula and the Galaxy. If H(0) is adjusted to about 80 km/s/Mpc with density parameter Omega = 1, then the model gives a good fit to the motions of the outer members of the Local Group. The same model gives particle orbits at radius of about 100 kpc that reasonably approximate the observed distribution of redshifts of the Galactic satellites.

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

NASA Astrophysics Data System (ADS)

Mardirossian, Narbe; Head-Gordon, Martin

2015-02-01

A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 1010 choices carved out of a functional space of almost 1040 possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.

A study of crown development mechanisms using a shoot-based tree model and segmented terrestrial laser scanning data.

PubMed

Sievänen, Risto; Raumonen, Pasi; Perttunen, Jari; Nikinmaa, Eero; Kaitaniemi, Pekka

2018-05-24

Functional-structural plant models (FSPMs) allow simulation of tree crown development as the sum of modular (e.g. shoot-level) responses triggered by the local environmental conditions. The actual process of space filling by the crowns can be studied. Although the FSPM simulations are at organ scale, the data for their validation have usually been at more aggregated levels (whole-crown or whole-tree). Measurements made by terrestrial laser scanning (TLS) that have been segmented into elementary units (internodes) offer a phenotyping tool to validate the FSPM predictions at levels comparable with their detail. We demonstrate the testing of different formulations of crown development of Scots pine trees in the LIGNUM model using segmented TLS data. We made TLS measurements from four sample trees growing in a forest on a relatively poor soil from sapling size to mature stage. The TLS data were segmented into internodes. The segmentation also produced information on whether needles were present in the internode. We applied different formulations of crown development (flushing of buds and length of growth of new internodes) in LIGNUM. We optimized the parameter values of each formulation using genetic algorithms to observe the best fit of LIGNUM simulations to the measured trees. The fitness function in the estimation combined both tree-level characteristics (e.g. tree height and crown length) and measures of crown shape (e.g. spatial distribution of needle area). Comparison of different formulations against the data indicates that the Extended Borchert-Honda model for shoot elongation works best within LIGNUM. Control of growth by local density in the crown was important for all shoot elongation formulations. Modifying the number of lateral buds as a function of local density in the crown was the best way to accomplish density control. It was demonstrated how segmented TLS data can be used in the context of a shoot-based model to select model components.

Primordial features and Planck polarization

NASA Astrophysics Data System (ADS)

Hazra, Dhiraj Kumar; Shafieloo, Arman; Smoot, George F.; Starobinsky, Alexei A.

2016-09-01

With the Planck 2015 Cosmic Microwave Background (CMB) temperature and polarization data, we search for possible features in the primordial power spectrum (PPS). We revisit the Wiggly Whipped Inflation (WWI) framework and demonstrate how generation of some particular primordial features can improve the fit to Planck data. WWI potential allows the scalar field to transit from a steeper potential to a nearly flat potential through a discontinuity either in potential or in its derivatives. WWI offers the inflaton potential parametrizations that generate a wide variety of features in the primordial power spectra incorporating most of the localized and non-local inflationary features that are obtained upon reconstruction from temperature and polarization angular power spectrum. At the same time, in a single framework it allows us to have a background parameter estimation with a nearly free-form primordial spectrum. Using Planck 2015 data, we constrain the primordial features in the context of Wiggly Whipped Inflation and present the features that are supported both by temperature and polarization. WWI model provides more than 13 improvement in χ2 fit to the data with respect to the best fit power law model considering combined temperature and polarization data from Planck and B-mode polarization data from BICEP and Planck dust map. We use 2-4 extra parameters in the WWI model compared to the featureless strict slow roll inflaton potential. We find that the differences between the temperature and polarization data in constraining background cosmological parameters such as baryon density, cold dark matter density are reduced to a good extent if we use primordial power spectra from WWI. We also discuss the extent of bispectra obtained from the best potentials in arbitrary triangular configurations using the BI-spectra and Non-Gaussianity Operator (BINGO).

Primordial features and Planck polarization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hazra, Dhiraj Kumar; Smoot, George F.; Shafieloo, Arman

2016-09-01

With the Planck 2015 Cosmic Microwave Background (CMB) temperature and polarization data, we search for possible features in the primordial power spectrum (PPS). We revisit the Wiggly Whipped Inflation (WWI) framework and demonstrate how generation of some particular primordial features can improve the fit to Planck data. WWI potential allows the scalar field to transit from a steeper potential to a nearly flat potential through a discontinuity either in potential or in its derivatives. WWI offers the inflaton potential parametrizations that generate a wide variety of features in the primordial power spectra incorporating most of the localized and non-local inflationarymore » features that are obtained upon reconstruction from temperature and polarization angular power spectrum. At the same time, in a single framework it allows us to have a background parameter estimation with a nearly free-form primordial spectrum. Using Planck 2015 data, we constrain the primordial features in the context of Wiggly Whipped Inflation and present the features that are supported both by temperature and polarization. WWI model provides more than 13 improvement in χ{sup 2} fit to the data with respect to the best fit power law model considering combined temperature and polarization data from Planck and B-mode polarization data from BICEP and Planck dust map. We use 2-4 extra parameters in the WWI model compared to the featureless strict slow roll inflaton potential. We find that the differences between the temperature and polarization data in constraining background cosmological parameters such as baryon density, cold dark matter density are reduced to a good extent if we use primordial power spectra from WWI. We also discuss the extent of bispectra obtained from the best potentials in arbitrary triangular configurations using the BI-spectra and Non-Gaussianity Operator (BINGO).« less

Revising traditional theory on the link between plant body size and fitness under competition: evidence from old-field vegetation

PubMed Central

Tracey, Amanda J; Aarssen, Lonnie W

2014-01-01

The selection consequences of competition in plants have been traditionally interpreted based on a “size-advantage” hypothesis – that is, under intense crowding/competition from neighbors, natural selection generally favors capacity for a relatively large plant body size. However, this conflicts with abundant data, showing that resident species body size distributions are usually strongly right-skewed at virtually all scales within vegetation. Using surveys within sample plots and a neighbor-removal experiment, we tested: (1) whether resident species that have a larger maximum potential body size (MAX) generally have more successful local individual recruitment, and thus greater local abundance/density (as predicted by the traditional size-advantage hypothesis); and (2) whether there is a general between-species trade-off relationship between MAX and capacity to produce offspring when body size is severely suppressed by crowding/competition – that is, whether resident species with a larger MAX generally also need to reach a larger minimum reproductive threshold size (MIN) before they can reproduce at all. The results showed that MIN had a positive relationship with MAX across resident species, and local density – as well as local density of just reproductive individuals – was generally greater for species with smaller MIN (and hence smaller MAX). In addition, the cleared neighborhoods of larger target species (which had relatively large MIN) generally had – in the following growing season – a lower ratio of conspecific recruitment within these neighborhoods relative to recruitment of other (i.e., smaller) species (which had generally smaller MIN). These data are consistent with an alternative hypothesis based on a ‘reproductive-economy-advantage’ – that is, superior fitness under competition in plants generally requires not larger potential body size, but rather superior capacity to recruit offspring that are in turn capable of producing grand-offspring – and hence transmitting genes to future generations – despite intense and persistent (cross-generational) crowding/competition from near neighbors. Selection for the latter is expected to favor relatively small minimum reproductive threshold size and hence – as a tradeoff – relatively small (not large) potential body size. PMID:24772274

Tight-Binding Approach to Computational Materials Science, Symposium Held December 1-3, 1997, Boston, Massachusetts, USA. Volume 491

DTIC Science & Technology

1998-01-01

to their large unit size and to experimental difficulties in determining geometries of carbon-based complex materials because of the weak X - ray ...qualitative relationship between the calculated local density of states and the experimental X - ray pho- toelectron spectra (XPS) and the Bremsstrahlung...from interaction schemes and allows complete data sets from different sources (neutron or X - ray diffraction, chemical constraints) to be fitted. In

Improved analysis techniques for cylindrical and spherical double probes.

PubMed

Beal, Brian; Johnson, Lee; Brown, Daniel; Blakely, Joseph; Bromaghim, Daron

2012-07-01

A versatile double Langmuir probe technique has been developed by incorporating analytical fits to Laframboise's numerical results for ion current collection by biased electrodes of various sizes relative to the local electron Debye length. Application of these fits to the double probe circuit has produced a set of coupled equations that express the potential of each electrode relative to the plasma potential as well as the resulting probe current as a function of applied probe voltage. These equations can be readily solved via standard numerical techniques in order to determine electron temperature and plasma density from probe current and voltage measurements. Because this method self-consistently accounts for the effects of sheath expansion, it can be readily applied to plasmas with a wide range of densities and low ion temperature (T(i)/T(e) ≪ 1) without requiring probe dimensions to be asymptotically large or small with respect to the electron Debye length. The presented approach has been successfully applied to experimental measurements obtained in the plume of a low-power Hall thruster, which produced a quasineutral, flowing xenon plasma during operation at 200 W on xenon. The measured plasma densities and electron temperatures were in the range of 1 × 10(12)-1 × 10(17) m(-3) and 0.5-5.0 eV, respectively. The estimated measurement uncertainty is +6%∕-34% in density and +∕-30% in electron temperature.

Alternative reproductive tactics and inverse size-assortment in a high-density fish spawning aggregation.

PubMed

Karkarey, Rucha; Zambre, Amod; Isvaran, Kavita; Arthur, Rohan

2017-02-28

At high densities, terrestrial and marine species often employ alternate reproductive tactics (ARTs) to maximize reproductive benefits. We describe ARTs in a high-density and unfished spawning aggregation of the squaretail grouper (Plectropomus areolatus) in Lakshadweep, India. As previously reported for this species, territorial males engage in pair-courtship, which is associated with a pair-spawning tactic. Here, we document a previously unreported school-courtship tactic; where territorial males court multiple females in mid-water schools, which appears to culminate in a unique 'school-spawning' tactic. Courtship tactics were conditional on body size, local mate density and habitat, likely associated with changing trade-offs between potential mating opportunities and intra-sexual competition. Counter-intuitively, the aggregation showed a habitat-specific inverse size-assortment: large males courted small females on the reef slope while small males courted equal-sized or larger females on the shelf. These patterns remained stable across two years of observation at high, unfished densities. These unique density-dependent behaviours may disappear from this aggregation as overall densities decline due to increasing commercial fishing pressure, with potentially large consequences for demographics and fitness.

Tables of thermospheric temperature, density and composition derived from satellite and ground based measurements. Volume 1: Ap=4

NASA Technical Reports Server (NTRS)

Hedin, A. E.

1979-01-01

The tables contain the neutral temperature, neutral densities for N2, O2, O, Ar, He and H, mean molecular weight, and total mass density as predicted by the Mass Spectrometer and Incoherent Scatter empirical thermosphere model for selected altitudes, latitudes, local times, days and other geophysical conditions. The model is based on a least squares fit to density data from mass spectrometers on five satellites and temperature data from four incoherent scatter stations, providing coverage for most of solar sunspot cycle 20. Included in the model data base are longitudinally average N3, He, and O densities from the OGO-6 mass spectrometer longitudinally average N2, He, O and Ar densities from the AEROS-A (NATE) mass spectrometer the N2, He, O, and Ar densities from the San Marco 3 mass spectrometer the N2 densities from the AE-B mass spectrometer and the N2, He, O, and Ar densities from the AE-C (OSS, NACE, NATE) mass spectrometers. The O2 and H densities are inferred using ion mass spectrometer data from AE-C (BIMS). Neutral exospheric temperature data are included from Arecibo, St. Santin, Millstone Hill and Jicamarca.

First principles approach to the magneto caloric effect: Application to Ni2MnGa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nicholson, Don M; Odbadrakh, Khorgolkhuu; Rusanu, Aurelian

2011-01-01

The magneto-caloric effect (MCE) is a possible route to more efficient heating and cooling of residential and commercial buildings. The search for improved materials is important to the development of a viable MCE based heat pump technology. We have calculated the magnetic structure of a candidate MCE material: Ni2MnGa. The density of magnetic states was calculated with the Wang Landau statistical method utilizing energies fit to those of the locally self-consistent multiple scattering method. The relationships between the density of magnetic states and the field induced adiabatic temperature change and the isothermal entropy change are discussed. (C) 2011 American Institutemore » of Physics.« less

Positive correlation between genetic diversity and fitness in a large, well-connected metapopulation.

PubMed

Vandewoestijne, Sofie; Schtickzelle, Nicolas; Baguette, Michel

2008-11-05

Theory predicts that lower dispersal, and associated gene flow, leads to decreased genetic diversity in small isolated populations, which generates adverse consequences for fitness, and subsequently for demography. Here we report for the first time this effect in a well-connected natural butterfly metapopulation with high population densities at the edge of its distribution range. We demonstrate that: (1) lower genetic diversity was coupled to a sharp decrease in adult lifetime expectancy, a key component of individual fitness; (2) genetic diversity was positively correlated to the number of dispersing individuals (indicative of landscape functional connectivity) and adult population size; (3) parameters inferred from capture-recapture procedures (population size and dispersal events between patches) correlated much better with genetic diversity than estimates usually used as surrogates for population size (patch area and descriptors of habitat quality) and dispersal (structural connectivity index). Our results suggest that dispersal is a very important factor maintaining genetic diversity. Even at a very local spatial scale in a metapopulation consisting of large high-density populations interconnected by considerable dispersal rates, genetic diversity can be decreased and directly affect the fitness of individuals. From a biodiversity conservation perspective, this study clearly shows the benefits of both in-depth demographic and genetic analyses. Accordingly, to ensure the long-term survival of populations, conservation actions should not be blindly based on patch area and structural isolation. This result may be especially pertinent for species at their range margins, particularly in this era of rapid environmental change.

Using Moran's I and GIS to study spatial pattern of forest litter carbon density in typical subtropical region, China

NASA Astrophysics Data System (ADS)

Fu, W. J.; Jiang, P. K.; Zhou, G. M.; Zhao, K. L.

2013-12-01

The spatial variation of forest litter carbon (FLC) density in the typical subtropical forests in southeast China was investigated using Moran's I, geostatistics and a geographical information system (GIS). A total of 839 forest litter samples were collected based on a 12 km (South-North) × 6 km (East-West) grid system in Zhejiang Province. Forest litter carbon density values were very variable, ranging from 10.2 kg ha-1 to 8841.3 kg ha-1, with an average of 1786.7 kg ha-1. The aboveground biomass had the strongest positive correlation with FLC density, followed by forest age and elevation. Global Moran's I revealed that FLC density had significant positive spatial autocorrelation. Clear spatial patterns were observed using Local Moran's I. A spherical model was chosen to fit the experimental semivariogram. The moderate "nugget-to-sill" (0.536) value revealed that both natural and anthropogenic factors played a key role in spatial heterogeneity of FLC density. High FLC density values were mainly distributed in northwestern and western part of Zhejiang province, which were related to adopting long-term policy of forest conservation in these areas. While Hang-Jia-Hu (HJH) Plain, Jin-Qu (JQ) basin and coastal areas had low FLC density due to low forest coverage and intensive management of economic forests. These spatial patterns in distribution map were in line with the spatial-cluster map described by local Moran's I. Therefore, Moran's I, combined with geostatistics and GIS could be used to study spatial patterns of environmental variables related to forest ecosystem.

Scale-dependent factors affecting North American river otter distribution in the midwest

USGS Publications Warehouse

Jeffress, Mackenzie R.; Paukert, C.P.; Whittier, Joanna B.; Sandercock, B.K.; Gipson, P.S.

2011-01-01

The North American river otter (Lontra canadensis) is recovering from near extirpation throughout much of its range. Although reintroductions, trapping regulations and habitat improvements have led to the reestablishment of river otters in the Midwest, little is known about how their distribution is influenced by local- and landscape-scale habitat. We conducted river otter sign surveys from Jan. to Apr. in 2008 and 2009 in eastern Kansas to assess how local- and landscape-scale habitat factors affect river otter occupancy. We surveyed three to nine 400-m stretches of stream and reservoir shorelines for 110 sites and measured local-scale variables (e.g., stream order, land cover types) within a 100 m buffer of the survey site and landscape-scale variables (e.g., road density, land cover types) for Hydrological Unit Code 14 watersheds. We then used occupancy models that account for the probability of detection to estimate occupancy as a function of these covariates using Program PRESENCE. The best-fitting model indicated river otter occupancy increased with the proportion of woodland cover and decreased with the proportion of cropland and grassland cover at the local scale. Occupancy also increased with decreased shoreline diversity, waterbody density and stream density at the landscape scale. Occupancy was not affected by land cover or human disturbance at the landscape scale. Understanding the factors and scale important to river otter occurrence will be useful in identifying areas for management and continued restoration. ?? 2011, American Midland Naturalist.

The global star formation law of galaxies revisited in the radio continuum

NASA Astrophysics Data System (ADS)

Liu, LiJie; Gao, Yu

2012-02-01

We study the global star formation law, the relation between the gas and star formation rate (SFR) in a sample of 130 local galaxies with infrared (IR) luminosities spanning over three orders of magnitude (109-1012 L⊙), which includes 91 normal spiral galaxies and 39 (ultra)luminous IR galaxies [(U)LIRGs]. We derive their total (atomic and molecular) gas and dense molecular gas masses using newly available HI, CO and HCN data from the literature. The SFR of galaxies is determined from total IR (8-1000 μm) and 1.4 GHz radio continuum (RC) luminosities. The galaxy disk sizes are defined by the de-convolved elliptical Gaussian FWHM of the RC maps. We derive the galaxy disk-averaged SFRs and various gas surface densities, and investigate their relationships. We find that the galaxy disk-averaged surface density of dense molecular gas mass has the tightest correlation with that of SFR (scatter ˜0.26 dex), and is linear in log-log space (power-law slope of N=1.03±0.02) across the full galaxy sample. The correlation between the total gas and SFR surface densities for the full sample has a somewhat larger scatter (˜0.48 dex), and is best fit by a power-law with slope 1.45±0.02. However, the slope changes from ˜1 when only normal spirals are considered, to ˜1.5 when more and more (U)LIRGs are included in the fitting. When different CO-to-H2 conversion factors are used to infer molecular gas masses for normal galaxies and (U)LIRGs, the bi-modal relations claimed recently in CO observations of high-redshift galaxies appear to also exist in local populations of star-forming galaxies.

Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maurer, Simon A.; Clin, Lucien; Ochsenfeld, Christian, E-mail: christian.ochsenfeld@uni-muenchen.de

2014-06-14

Our recently developed QQR-type integral screening is introduced in our Cholesky-decomposed pseudo-densities Møller-Plesset perturbation theory of second order (CDD-MP2) method. We use the resolution-of-the-identity (RI) approximation in combination with efficient integral transformations employing sparse matrix multiplications. The RI-CDD-MP2 method shows an asymptotic cubic scaling behavior with system size and a small prefactor that results in an early crossover to conventional methods for both small and large basis sets. We also explore the use of local fitting approximations which allow to further reduce the scaling behavior for very large systems. The reliability of our method is demonstrated on test sets formore » interaction and reaction energies of medium sized systems and on a diverse selection from our own benchmark set for total energies of larger systems. Timings on DNA systems show that fast calculations for systems with more than 500 atoms are feasible using a single processor core. Parallelization extends the range of accessible system sizes on one computing node with multiple cores to more than 1000 atoms in a double-zeta basis and more than 500 atoms in a triple-zeta basis.« less

Density and lithospheric structure at Tyrrhena Patera, Mars, from gravity and topography data

NASA Astrophysics Data System (ADS)

Grott, M.; Wieczorek, M. A.

2012-09-01

The Tyrrhena Patera highland volcano, Mars, is associated with a relatively well localized gravity anomaly and we have carried out a localized admittance analysis in the region to constrain the density of the volcanic load, the load thickness, and the elastic thickness at the time of load emplacement. The employed admittance model considers loading of an initially spherical surface, and surface as well as subsurface loading is taken into account. Our results indicate that the gravity and topography data available at Tyrrhena Patera is consistent with the absence of subsurface loading, but the presence of a small subsurface load cannot be ruled out. We obtain minimum load densities of 2960 kg m-3, minimum load thicknesses of 5 km, and minimum load volumes of 0.6 × 106 km3. Photogeological evidence suggests that pyroclastic deposits make up at most 30% of this volume, such that the bulk of Tyrrhena Patera is likely composed of competent basalt. Best fitting model parameters are a load density of 3343 kg m-3, a load thickness of 10.8 km, and a load volume of 1.7 × 106 km3. These relatively large load densities indicate that lava compositions are comparable to those at other martian volcanoes, and densities are comparable to those of the martian meteorites. The elastic thickness in the region is constrained to be smaller than 27.5 km at the time of loading, indicating surface heat flows in excess of 24 mW m-2.

Long-range analysis of density fitting in extended systems

NASA Astrophysics Data System (ADS)

Varga, Scarontefan

Density fitting scheme is analyzed for the Coulomb problem in extended systems from the correctness of long-range behavior point of view. We show that for the correct cancellation of divergent long-range Coulomb terms it is crucial for the density fitting scheme to reproduce the overlap matrix exactly. It is demonstrated that from all possible fitting metric choices the Coulomb metric is the only one which inherently preserves the overlap matrix for infinite systems with translational periodicity. Moreover, we show that by a small additional effort any non-Coulomb metric fit can be made overlap-preserving as well. The problem is analyzed for both ordinary and Poisson basis set choices.

Using Moran's I and GIS to study the spatial pattern of forest litter carbon density in a subtropical region of southeastern China

NASA Astrophysics Data System (ADS)

Fu, W. J.; Jiang, P. K.; Zhou, G. M.; Zhao, K. L.

2014-04-01

Spatial pattern information of carbon density in forest ecosystem including forest litter carbon (FLC) plays an important role in evaluating carbon sequestration potentials. The spatial variation of FLC density in the typical subtropical forests in southeastern China was investigated using Moran's I, geostatistics and a geographical information system (GIS). A total of 839 forest litter samples were collected based on a 12 km (south-north) × 6 km (east-west) grid system in Zhejiang province. Forest litter carbon density values were very variable, ranging from 10.2 kg ha-1 to 8841.3 kg ha-1, with an average of 1786.7 kg ha-1. The aboveground biomass had the strongest positive correlation with FLC density, followed by forest age and elevation. Global Moran's I revealed that FLC density had significant positive spatial autocorrelation. Clear spatial patterns were observed using local Moran's I. A spherical model was chosen to fit the experimental semivariogram. The moderate "nugget-to-sill" (0.536) value revealed that both natural and anthropogenic factors played a key role in spatial heterogeneity of FLC density. High FLC density values were mainly distributed in northwestern and western part of Zhejiang province, which were related to adopting long-term policy of forest conservation in these areas, while Hang-Jia-Hu (HJH) Plain, Jin-Qu (JQ) Basin and coastal areas had low FLC density due to low forest coverage and intensive management of economic forests. These spatial patterns were in line with the spatial-cluster map described by local Moran's I. Therefore, Moran's I, combined with geostatistics and GIS, could be used to study spatial patterns of environmental variables related to forest ecosystem.

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mardirossian, Narbe; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

2015-02-21

A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 10{sup 10} choices carved out of a functional space of almost 10{sup 40} possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based onmore » a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.« less

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2015-02-20

We present a meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional. The functional form is selected from more than 10 10 choices carved out of a functional space of almost 10 40 possibilities. This raw data comes from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filteredmore » based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.« less

Equatorial distributions of energetic ion moments in Saturn's magnetosphere using Cassini/MIMI measurements

NASA Astrophysics Data System (ADS)

Dialynas, K.; Roussos, E.; Regoli, L.; Paranicas, C.; Krimigis, S. M.; Kane, M.; Mitchell, D. G.; Hamilton, D. C.

2016-12-01

We use kappa distribution fits to combined Charge Energy Mass Spectrometer (CHEMS, 3 to 236 keV/e), Low Energy Magnetosphere Measurements System (LEMMS, 0.024 < E < 18 MeV), and Ion Neutral Camera (INCA, 5.2 to >220 keV for H+) proton and singly ionized energetic ion spectra to calculate the >20 keV energetic ion moments inside Saturn's magnetosphere. Using a realistic magnetic field model (Khurana et al. 2007) and data from the entire Cassini mission to date (2004-2016), we map the ion measurements to the equatorial plane and via the modeled kappa distribution spectra we produce the equatorial distributions of all ion integral moments, focusing on partial density, integral intensity, partial pressure, integral energy intensity; as well as the characteristic energy (EC=IE/In), Temperature and κ-index of these ions as a function of Local Time (00:00 to 24:00 hrs) and L-Shell (5-20). A modified version of the semi-empirical Roelof and Skinner [2000] model is then utilized to retrieve the equatorial H+ and O+ pressure, density and temperature in Saturn's magnetosphere in both local time and L-shell. We find that a) although the H+ and O+ partial pressures and densities are nearly comparable, the >20 keV protons have higher number and energy intensities at all radial distances (L>5) and local times; b) the 12

Optical-model potential for electron and positron elastic scattering by atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salvat, Francesc

2003-07-01

An optical-model potential for systematic calculations of elastic scattering of electrons and positrons by atoms and positive ions is proposed. The electrostatic interaction is determined from the Dirac-Hartree-Fock self-consistent atomic electron density. In the case of electron projectiles, the exchange interaction is described by means of the local-approximation of Furness and McCarthy. The correlation-polarization potential is obtained by combining the correlation potential derived from the local density approximation with a long-range polarization interaction, which is represented by means of a Buckingham potential with an empirical energy-dependent cutoff parameter. The absorption potential is obtained from the local-density approximation, using the Born-Ochkurmore » approximation and the Lindhard dielectric function to describe the binary collisions with a free-electron gas. The strength of the absorption potential is adjusted by means of an empirical parameter, which has been determined by fitting available absolute elastic differential cross-section data for noble gases and mercury. The Dirac partial-wave analysis with this optical-model potential provides a realistic description of elastic scattering of electrons and positrons with energies in the range from {approx}100 eV up to {approx}5 keV. At higher energies, correlation-polarization and absorption corrections are small and the usual static-exchange approximation is sufficiently accurate for most practical purposes.« less

Tensor hypercontraction. II. Least-squares renormalization

NASA Astrophysics Data System (ADS)

Parrish, Robert M.; Hohenstein, Edward G.; Martínez, Todd J.; Sherrill, C. David

2012-12-01

The least-squares tensor hypercontraction (LS-THC) representation for the electron repulsion integral (ERI) tensor is presented. Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five second-order tensors [E. G. Hohenstein, R. M. Parrish, and T. J. Martínez, J. Chem. Phys. 137, 044103 (2012)], 10.1063/1.4732310. Our initial algorithm for the generation of the THC factors involved a two-sided invocation of overlap-metric density fitting, followed by a PARAFAC decomposition, and is denoted PARAFAC tensor hypercontraction (PF-THC). LS-THC supersedes PF-THC by producing the THC factors through a least-squares renormalization of a spatial quadrature over the otherwise singular 1/r12 operator. Remarkably, an analytical and simple formula for the LS-THC factors exists. Using this formula, the factors may be generated with O(N^5) effort if exact integrals are decomposed, or O(N^4) effort if the decomposition is applied to density-fitted integrals, using any choice of density fitting metric. The accuracy of LS-THC is explored for a range of systems using both conventional and density-fitted integrals in the context of MP2. The grid fitting error is found to be negligible even for extremely sparse spatial quadrature grids. For the case of density-fitted integrals, the additional error incurred by the grid fitting step is generally markedly smaller than the underlying Coulomb-metric density fitting error. The present results, coupled with our previously published factorizations of MP2 and MP3, provide an efficient, robust O(N^4) approach to both methods. Moreover, LS-THC is generally applicable to many other methods in quantum chemistry.

Tensor hypercontraction. II. Least-squares renormalization.

PubMed

Parrish, Robert M; Hohenstein, Edward G; Martínez, Todd J; Sherrill, C David

2012-12-14

The least-squares tensor hypercontraction (LS-THC) representation for the electron repulsion integral (ERI) tensor is presented. Recently, we developed the generic tensor hypercontraction (THC) ansatz, which represents the fourth-order ERI tensor as a product of five second-order tensors [E. G. Hohenstein, R. M. Parrish, and T. J. Martínez, J. Chem. Phys. 137, 044103 (2012)]. Our initial algorithm for the generation of the THC factors involved a two-sided invocation of overlap-metric density fitting, followed by a PARAFAC decomposition, and is denoted PARAFAC tensor hypercontraction (PF-THC). LS-THC supersedes PF-THC by producing the THC factors through a least-squares renormalization of a spatial quadrature over the otherwise singular 1∕r(12) operator. Remarkably, an analytical and simple formula for the LS-THC factors exists. Using this formula, the factors may be generated with O(N(5)) effort if exact integrals are decomposed, or O(N(4)) effort if the decomposition is applied to density-fitted integrals, using any choice of density fitting metric. The accuracy of LS-THC is explored for a range of systems using both conventional and density-fitted integrals in the context of MP2. The grid fitting error is found to be negligible even for extremely sparse spatial quadrature grids. For the case of density-fitted integrals, the additional error incurred by the grid fitting step is generally markedly smaller than the underlying Coulomb-metric density fitting error. The present results, coupled with our previously published factorizations of MP2 and MP3, provide an efficient, robust O(N(4)) approach to both methods. Moreover, LS-THC is generally applicable to many other methods in quantum chemistry.

Geography and the costs of urban energy infrastructure: The case of electricity and natural gas capital investments

NASA Astrophysics Data System (ADS)

Senyel, Muzeyyen Anil

Investments in the urban energy infrastructure for distributing electricity and natural gas are analyzed using (1) property data measuring distribution plant value at the local/tax district level, and (2) system outputs such as sectoral numbers of customers and energy sales, input prices, company-specific characteristics such as average wages and load factor. Socio-economic and site-specific urban and geographic variables, however, often been neglected in past studies. The purpose of this research is to incorporate these site-specific characteristics of electricity and natural gas distribution into investment cost model estimations. These local characteristics include (1) socio-economic variables, such as income and wealth; (2) urban-related variables, such as density, land-use, street pattern, housing pattern; (3) geographic and environmental variables, such as soil, topography, and weather, and (4) company-specific characteristics such as average wages, and load factor. The classical output variables include residential and commercial-industrial customers and sales. In contrast to most previous research, only capital investments at the local level are considered. In addition to aggregate cost modeling, the analysis focuses on the investment costs for the system components: overhead conductors, underground conductors, conduits, poles, transformers, services, street lighting, and station equipment for electricity distribution; and mains, services, regular and industrial measurement and regulation stations for natural gas distribution. The Box-Cox, log-log and additive models are compared to determine the best fitting cost functions. The Box-Cox form turns out to be superior to the other forms at the aggregate level and for network components. However, a linear additive form provides a better fit for end-user related components. The results show that, in addition to output variables and company-specific variables, various site-specific variables are statistically significant at the aggregate and disaggregate levels. Local electricity and natural gas distribution networks are characterized by a natural monopoly cost structure and economies of scale and density. The results provide evidence for the economies of scale and density for the aggregate electricity and natural gas distribution systems. However, distribution components have varying economic characteristics. The backbones of the networks (overhead conductors for electricity, and mains for natural gas) display economies of scale and density, but services in both systems and street lighting display diseconomies of scale and diseconomies of density. Finally multi-utility network cost analyses are presented for aggregate and disaggregate electricity and natural gas capital investments. Economies of scope analyses investigate whether providing electricity and natural gas jointly is economically advantageous, as compared to providing these products separately. Significant economies of scope are observed for both the total network and the underground capital investments.

X-Ray Spectroscopy of the Low-Mass X-Ray Binaries 2S 0918-549 and 4U 1543-624: Evidence for Neon-rich Degenerate Donors

NASA Astrophysics Data System (ADS)

Juett, Adrienne M.; Chakrabarty, Deepto

2003-12-01

We present high-resolution spectroscopy of the neutron star/low-mass X-ray binaries 2S 0918-549 and 4U 1543-624 with the High Energy Transmission Grating Spectrometer on board the Chandra X-Ray Observatory and the Reflection Grating Spectrometer on board XMM-Newton. Previous low-resolution spectra of both sources showed a broad, linelike feature at 0.7 keV that was originally attributed to unresolved line emission. We recently showed that this feature could also be due to excess neutral Ne absorption, and this is confirmed by the new high-resolution Chandra and XMM spectra. The Chandra spectra are each well fitted by an absorbed-power-law+blackbody model with a modified Ne/O number ratio of 0.52+/-0.12 for 2S 0918-549 and 1.5+/-0.3 for 4U 1543-624, compared to the interstellar medium value of 0.18. The XMM spectrum of 2S 0918-549 is best fitted by an absorbed-power-law model with a Ne/O number ratio of 0.46+/-0.03, consistent with the Chandra result. On the other hand, the XMM spectrum of 4U 1543-624 is softer and less luminous than the Chandra spectrum and has a best-fit Ne/O number ratio of 0.54+/-0.03. The difference between the measured abundances and the expected interstellar ratio, as well as the variation of the column densities of O and Ne in 4U 1543-624, supports the suggestion that there is absorption local to these binaries. We propose that the variations in the O and Ne column densities of 4U 1543-624 are caused by changes in the ionization structure of the local absorbing material. It is important to understand the effect of ionization on the measured absorption columns before the abundance of the local material can be determined. This work supports our earlier suggestion that 2S 0918-549 and 4U 1543-624 are ultracompact binaries with Ne-rich companions.

Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: Local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2014-03-25

The limit of accuracy for semi-empirical generalized gradient approximation (GGA) density functionals is explored in this paper by parameterizing a variety of local, global hybrid, and range-separated hybrid functionals. The training methodology employed differs from conventional approaches in 2 main ways: (1) Instead of uniformly truncating the exchange, same-spin correlation, and opposite-spin correlation functional inhomogeneity correction factors, all possible fits up to fourth order are considered, and (2) Instead of selecting the optimal functionals based solely on their training set performance, the fits are validated on an independent test set and ranked based on their overall performance on the trainingmore » and test sets. The 3 different methods of accounting for exchange are trained both with and without dispersion corrections (DFT-D2 and VV10), resulting in a total of 491 508 candidate functionals. For each of the 9 functional classes considered, the results illustrate the trade-off between improved training set performance and diminished transferability. Since all 491 508 functionals are uniformly trained and tested, this methodology allows the relative strengths of each type of functional to be consistently compared and contrasted. Finally, the range-separated hybrid GGA functional paired with the VV10 nonlocal correlation functional emerges as the most accurate form for the present training and test sets, which span thermochemical energy differences, reaction barriers, and intermolecular interactions involving lighter main group elements.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keedy, Daniel A.; Fraser, James S.; van den Bedem, Henry

Proteins must move between different conformations of their native ensemble to perform their functions. Crystal structures obtained from high-resolution X-ray diffraction data reflect this heterogeneity as a spatial and temporal conformational average. Although movement between natively populated alternative conformations can be critical for characterizing molecular mechanisms, it is challenging to identify these conformations within electron density maps. Alternative side chain conformations are generally well separated into distinct rotameric conformations, but alternative backbone conformations can overlap at several atomic positions. Our model building program qFit uses mixed integer quadratic programming (MIQP) to evaluate an extremely large number of combinations of sidechainmore » conformers and backbone fragments to locally explain the electron density. Here, we describe two major modeling enhancements to qFit: peptide flips and alternative glycine conformations. We find that peptide flips fall into four stereotypical clusters and are enriched in glycine residues at the n+1 position. The potential for insights uncovered by new peptide flips and glycine conformations is exemplified by HIV protease, where different inhibitors are associated with peptide flips in the “flap” regions adjacent to the inhibitor binding site. Our results paint a picture of peptide flips as conformational switches, often enabled by glycine flexibility, that result in dramatic local rearrangements. Our results furthermore demonstrate the power of large-scale computational analysis to provide new insights into conformational heterogeneity. Furthermore, improved modeling of backbone heterogeneity with high-resolution X-ray data will connect dynamics to the structure-function relationship and help drive new design strategies for inhibitors of biomedically important systems.« less

Positive correlation between genetic diversity and fitness in a large, well-connected metapopulation

PubMed Central

Vandewoestijne, Sofie; Schtickzelle, Nicolas; Baguette, Michel

2008-01-01

Background Theory predicts that lower dispersal, and associated gene flow, leads to decreased genetic diversity in small isolated populations, which generates adverse consequences for fitness, and subsequently for demography. Here we report for the first time this effect in a well-connected natural butterfly metapopulation with high population densities at the edge of its distribution range. Results We demonstrate that: (1) lower genetic diversity was coupled to a sharp decrease in adult lifetime expectancy, a key component of individual fitness; (2) genetic diversity was positively correlated to the number of dispersing individuals (indicative of landscape functional connectivity) and adult population size; (3) parameters inferred from capture-recapture procedures (population size and dispersal events between patches) correlated much better with genetic diversity than estimates usually used as surrogates for population size (patch area and descriptors of habitat quality) and dispersal (structural connectivity index). Conclusion Our results suggest that dispersal is a very important factor maintaining genetic diversity. Even at a very local spatial scale in a metapopulation consisting of large high-density populations interconnected by considerable dispersal rates, genetic diversity can be decreased and directly affect the fitness of individuals. From a biodiversity conservation perspective, this study clearly shows the benefits of both in-depth demographic and genetic analyses. Accordingly, to ensure the long-term survival of populations, conservation actions should not be blindly based on patch area and structural isolation. This result may be especially pertinent for species at their range margins, particularly in this era of rapid environmental change. PMID:18986515

Estimating cosmic velocity fields from density fields and tidal tensors

NASA Astrophysics Data System (ADS)

Kitaura, Francisco-Shu; Angulo, Raul E.; Hoffman, Yehuda; Gottlöber, Stefan

2012-10-01

In this work we investigate the non-linear and non-local relation between cosmological density and peculiar velocity fields. Our goal is to provide an algorithm for the reconstruction of the non-linear velocity field from the fully non-linear density. We find that including the gravitational tidal field tensor using second-order Lagrangian perturbation theory based upon an estimate of the linear component of the non-linear density field significantly improves the estimate of the cosmic flow in comparison to linear theory not only in the low density, but also and more dramatically in the high-density regions. In particular we test two estimates of the linear component: the lognormal model and the iterative Lagrangian linearization. The present approach relies on a rigorous higher order Lagrangian perturbation theory analysis which incorporates a non-local relation. It does not require additional fitting from simulations being in this sense parameter free, it is independent of statistical-geometrical optimization and it is straightforward and efficient to compute. The method is demonstrated to yield an unbiased estimator of the velocity field on scales ≳5 h-1 Mpc with closely Gaussian distributed errors. Moreover, the statistics of the divergence of the peculiar velocity field is extremely well recovered showing a good agreement with the true one from N-body simulations. The typical errors of about 10 km s-1 (1σ confidence intervals) are reduced by more than 80 per cent with respect to linear theory in the scale range between 5 and 10 h-1 Mpc in high-density regions (δ > 2). We also find that iterative Lagrangian linearization is significantly superior in the low-density regime with respect to the lognormal model.

Changes in fitness are associated with changes in hippocampal microstructure and hippocampal volume among older adults.

PubMed

Kleemeyer, Maike Margarethe; Kühn, Simone; Prindle, John; Bodammer, Nils Christian; Brechtel, Lars; Garthe, Alexander; Kempermann, Gerd; Schaefer, Sabine; Lindenberger, Ulman

2016-05-01

This study investigates the effects of fitness changes on hippocampal microstructure and hippocampal volume. Fifty-two healthy participants aged 59-74years with a sedentary lifestyle were randomly assigned to either of two levels of exercise intensity. Training lasted for six months. Physical fitness, hippocampal volumes, and hippocampal microstructure were measured before and after training. Hippocampal microstructure was assessed by mean diffusivity, which inversely reflects tissue density; hence, mean diffusivity is lower for more densely packed tissue. Mean changes in fitness did not differ reliably across intensity levels of training, so data were collapsed across groups. Multivariate modeling of pretest-posttest differences using structural equation modeling (SEM) revealed that individual differences in latent change were reliable for all three constructs. More positive changes in fitness were associated with more positive changes in tissue density (i.e., more negative changes in mean diffusivity), and more positive changes in tissue density were associated with more positive changes in volume. We conclude that fitness-related changes in hippocampal volume may be brought about by changes in tissue density. The relative contributions of angiogenesis, gliogenesis, and/or neurogenesis to changes in tissue density remain to be identified. Copyright © 2015 Elsevier Inc. All rights reserved.

Modeling envelope statistics of blood and myocardium for segmentation of echocardiographic images.

PubMed

Nillesen, Maartje M; Lopata, Richard G P; Gerrits, Inge H; Kapusta, Livia; Thijssen, Johan M; de Korte, Chris L

2008-04-01

The objective of this study was to investigate the use of speckle statistics as a preprocessing step for segmentation of the myocardium in echocardiographic images. Three-dimensional (3D) and biplane image sequences of the left ventricle of two healthy children and one dog (beagle) were acquired. Pixel-based speckle statistics of manually segmented blood and myocardial regions were investigated by fitting various probability density functions (pdf). The statistics of heart muscle and blood could both be optimally modeled by a K-pdf or Gamma-pdf (Kolmogorov-Smirnov goodness-of-fit test). Scale and shape parameters of both distributions could differentiate between blood and myocardium. Local estimation of these parameters was used to obtain parametric images, where window size was related to speckle size (5 x 2 speckles). Moment-based and maximum-likelihood estimators were used. Scale parameters were still able to differentiate blood from myocardium; however, smoothing of edges of anatomical structures occurred. Estimation of the shape parameter required a larger window size, leading to unacceptable blurring. Using these parameters as an input for segmentation resulted in unreliable segmentation. Adaptive mean squares filtering was then introduced using the moment-based scale parameter (sigma(2)/mu) of the Gamma-pdf to automatically steer the two-dimensional (2D) local filtering process. This method adequately preserved sharpness of the edges. In conclusion, a trade-off between preservation of sharpness of edges and goodness-of-fit when estimating local shape and scale parameters is evident for parametric images. For this reason, adaptive filtering outperforms parametric imaging for the segmentation of echocardiographic images.

Alcohol outlet density and assault: a spatial analysis.

PubMed

Livingston, Michael

2008-04-01

A large number of studies have found links between alcohol outlet densities and assault rates in local areas. This study tests a variety of specifications of this link, focusing in particular on the possibility of a non-linear relationship. Cross-sectional data on police-recorded assaults during high alcohol hours, liquor outlets and socio-demographic characteristics were obtained for 223 postcodes in Melbourne, Australia. These data were used to construct a series of models testing the nature of the relationship between alcohol outlet density and assault, while controlling for socio-demographic factors and spatial auto-correlation. Four types of relationship were examined: a normal linear relationship between outlet density and assault, a non-linear relationship with potential threshold or saturation densities, a relationship mediated by the socio-economic status of the neighbourhood and a relationship which takes into account the effect of outlets in surrounding neighbourhoods. The model positing non-linear relationships between outlet density and assaults was found to fit the data most effectively. An increasing accelerating effect for the density of hotel (pub) licences was found, suggesting a plausible upper limit for these licences in Melbourne postcodes. The study finds positive relationships between outlet density and assault rates and provides evidence that this relationship is non-linear and thus has critical values at which licensing policy-makers can impose density limits.

Neighbourhood density and genetic relatedness interact to determine fruit set and abortion rates in a continuous tropical tree population

PubMed Central

Jones, F.A; Comita, L.S

2008-01-01

Tropical trees may show positive density dependence in fruit set and maturation due to pollen limitation in low-density populations. However, pollen from closely related individuals in the local neighbourhood might reduce fruit set or increase fruit abortion in self-incompatible tree species. We investigated the role of neighbourhood density and genetic relatedness on individual fruit set and abortion in the neotropical tree Jacaranda copaia in a large forest plot in central Panama. Using nested neighbourhood models, we found a strong positive effect of increased conspecific density on fruit set and maturation. However, high neighbourhood genetic relatedness interacted with density to reduce total fruit set and increase the proportion of aborted fruit. Our results imply a fitness advantage for individuals growing in high densities as measured by fruit set, but realized fruit set is lowered by increased neighbourhood relatedness. We hypothesize that the mechanism involved is increased visitation by density-dependent invertebrate pollinators in high-density populations, which increases pollen quantity and carry-over and increases fruit set and maturation, coupled with self-incompatibility at early and late stages due to biparental inbreeding that lowers fruit set and increases fruit abortion. Implications for the reproductive ecology and conservation of tropical tree communities in continuous and fragmented habitats are discussed. PMID:18713714

You are lost without a map: Navigating the sea of protein structures.

PubMed

Lamb, Audrey L; Kappock, T Joseph; Silvaggi, Nicholas R

2015-04-01

X-ray crystal structures propel biochemistry research like no other experimental method, since they answer many questions directly and inspire new hypotheses. Unfortunately, many users of crystallographic models mistake them for actual experimental data. Crystallographic models are interpretations, several steps removed from the experimental measurements, making it difficult for nonspecialists to assess the quality of the underlying data. Crystallographers mainly rely on "global" measures of data and model quality to build models. Robust validation procedures based on global measures now largely ensure that structures in the Protein Data Bank (PDB) are largely correct. However, global measures do not allow users of crystallographic models to judge the reliability of "local" features in a region of interest. Refinement of a model to fit into an electron density map requires interpretation of the data to produce a single "best" overall model. This process requires inclusion of most probable conformations in areas of poor density. Users who misunderstand this can be misled, especially in regions of the structure that are mobile, including active sites, surface residues, and especially ligands. This article aims to equip users of macromolecular models with tools to critically assess local model quality. Structure users should always check the agreement of the electron density map and the derived model in all areas of interest, even if the global statistics are good. We provide illustrated examples of interpreted electron density as a guide for those unaccustomed to viewing electron density. Copyright © 2014 Elsevier B.V. All rights reserved.

Floral display size, conspecific density and florivory affect fruit set in natural populations of Phlox hirsuta, an endangered species

PubMed Central

Ruane, Lauren G.; Rotzin, Andrew T.; Congleton, Philip H.

2014-01-01

Background and Aims Natural variation in fruit and seed set may be explained by factors that affect the composition of pollen grains on stigmas. Self-incompatible species require compatible outcross pollen grains to produce seeds. The siring success of outcross pollen grains, however, can be hindered if self (or other incompatible) pollen grains co-occur on stigmas. This study identifies factors that determine fruit set in Phlox hirsuta, a self-sterile endangered species that is prone to self-pollination, and its associated fitness costs. Methods Multiple linear regressions were used to identify factors that explain variation in percentage fruit set within three of the five known populations of this endangered species. Florivorous beetle density, petal colour, floral display size, local conspecific density and pre-dispersal seed predation were quantified and their effects on the ability of flowers to produce fruits were assessed. Key Results In all three populations, percentage fruit set decreased as florivorous beetle density increased and as floral display size increased. The effect of floral display size on fruit set, however, often depended on the density of nearby conspecific plants. High local conspecific densities offset – even reversed – the negative effects of floral display size on percentage fruit set. Seed predation by mammals decreased fruit set in one population. Conclusions The results indicate that seed production in P. hirsuta can be maximized by selectively augmenting populations in areas containing isolated large plants, by reducing the population sizes of florivorous beetles and by excluding mammals that consume unripe fruits. PMID:24557879

Evolution in population parameters: density-dependent selection or density-dependent fitness?

PubMed

Travis, Joseph; Leips, Jeff; Rodd, F Helen

2013-05-01

Density-dependent selection is one of earliest topics of joint interest to both ecologists and evolutionary biologists and thus occupies an important position in the histories of these disciplines. This joint interest is driven by the fact that density-dependent selection is the simplest form of feedback between an ecological effect of an organism's own making (crowding due to sustained population growth) and the selective response to the resulting conditions. This makes density-dependent selection perhaps the simplest process through which we see the full reciprocity between ecology and evolution. In this article, we begin by tracing the history of studying the reciprocity between ecology and evolution, which we see as combining the questions of evolutionary ecology with the assumptions and approaches of ecological genetics. In particular, density-dependent fitness and density-dependent selection were critical concepts underlying ideas about adaptation to biotic selection pressures and the coadaptation of interacting species. However, theory points to a critical distinction between density-dependent fitness and density-dependent selection in their influences on complex evolutionary and ecological interactions among coexisting species. Although density-dependent fitness is manifestly evident in empirical studies, evidence of density-dependent selection is much less common. This leads to the larger question of how prevalent and important density-dependent selection might really be. Life-history variation in the least killifish Heterandria formosa appears to reflect the action of density-dependent selection, and yet compelling evidence is elusive, even in this well-studied system, which suggests some important challenges for understanding density-driven feedbacks between ecology and evolution.

Generation of lower and upper bands of electrostatic electron cyclotron harmonic waves in the Van Allen radiation belts

DOE PAGES

Zhou, Qinghua; Xiao, Fuliang; Yang, Chang; ...

2017-05-22

Electrostatic electron cyclotron harmonic (ECH) waves generated by the electron loss cone distribution can produce efficient scattering loss of plasma sheet electrons, which has a significant effect on the dynamics in the outer magnetosphere. Here we report two ECH emission events around the same location L≈ 5.7–5.8, MLT ≈ 12 from Van Allen Probes on 11 February (event A) and 9 January 2014 (event B), respectively. The spectrum of ECH waves was centered at the lower half of the harmonic bands during event A, but the upper half during event B. The observed electron phase space density in both eventsmore » is fitted by the subtracted bi-Maxwellian distribution, and the fitting functions are used to evaluate the local growth rates of ECH waves based on a linear theory for homogeneous plasmas. ECH waves are excited by the loss cone instability of 50 eV–1 keV electrons in the lower half of harmonic bands in the low-density plasmasphere in event A, and 1–10 keV electrons in the upper half of harmonic bands in a relatively high-density region in event B. Here, the current results successfully explain observations and provide a first direct evidence on how ECH waves are generated in the lower and upper half of harmonic frequency bands.« less

Generation of lower and upper bands of electrostatic electron cyclotron harmonic waves in the Van Allen radiation belts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Qinghua; Xiao, Fuliang; Yang, Chang

Electrostatic electron cyclotron harmonic (ECH) waves generated by the electron loss cone distribution can produce efficient scattering loss of plasma sheet electrons, which has a significant effect on the dynamics in the outer magnetosphere. Here we report two ECH emission events around the same location L≈ 5.7–5.8, MLT ≈ 12 from Van Allen Probes on 11 February (event A) and 9 January 2014 (event B), respectively. The spectrum of ECH waves was centered at the lower half of the harmonic bands during event A, but the upper half during event B. The observed electron phase space density in both eventsmore » is fitted by the subtracted bi-Maxwellian distribution, and the fitting functions are used to evaluate the local growth rates of ECH waves based on a linear theory for homogeneous plasmas. ECH waves are excited by the loss cone instability of 50 eV–1 keV electrons in the lower half of harmonic bands in the low-density plasmasphere in event A, and 1–10 keV electrons in the upper half of harmonic bands in a relatively high-density region in event B. Here, the current results successfully explain observations and provide a first direct evidence on how ECH waves are generated in the lower and upper half of harmonic frequency bands.« less

Inferring Recent Demography from Isolation by Distance of Long Shared Sequence Blocks

PubMed Central

Ringbauer, Harald; Coop, Graham

2017-01-01

Recently it has become feasible to detect long blocks of nearly identical sequence shared between pairs of genomes. These identity-by-descent (IBD) blocks are direct traces of recent coalescence events and, as such, contain ample signal to infer recent demography. Here, we examine sharing of such blocks in two-dimensional populations with local migration. Using a diffusion approximation to trace genetic ancestry, we derive analytical formulas for patterns of isolation by distance of IBD blocks, which can also incorporate recent population density changes. We introduce an inference scheme that uses a composite-likelihood approach to fit these formulas. We then extensively evaluate our theory and inference method on a range of scenarios using simulated data. We first validate the diffusion approximation by showing that the theoretical results closely match the simulated block-sharing patterns. We then demonstrate that our inference scheme can accurately and robustly infer dispersal rate and effective density, as well as bounds on recent dynamics of population density. To demonstrate an application, we use our estimation scheme to explore the fit of a diffusion model to Eastern European samples in the Population Reference Sample data set. We show that ancestry diffusing with a rate of σ≈50−−100 km/gen during the last centuries, combined with accelerating population growth, can explain the observed exponential decay of block sharing with increasing pairwise sample distance. PMID:28108588

Generalized Lenard-Balescu calculations of electron-ion temperature relaxation in beryllium plasma.

PubMed

Fu, Zhen-Guo; Wang, Zhigang; Li, Da-Fang; Kang, Wei; Zhang, Ping

2015-09-01

The problem of electron-ion temperature relaxation in beryllium plasma at various densities (0.185-18.5g/cm^{3}) and temperatures [(1.0-8)×10^{3} eV] is investigated by using the generalized Lenard-Balescu theory. We consider the correlation effects between electrons and ions via classical and quantum static local field corrections. The numerical results show that the electron-ion pair distribution function at the origin approaches the maximum when the electron-electron coupling parameter equals unity. The classical result of the Coulomb logarithm is in agreement with the quantum result in both the weak (Γ_{ee}<10^{-2}) and strong (Γ_{ee}>1) electron-electron coupling ranges, whereas it deviates from the quantum result at intermediate values of the coupling parameter (10^{-2}<Γ_{ee}<1). We find that with increasing density of Be, the Coulomb logarithm will decrease and the corresponding relaxation rate ν_{ie} will increase. In addition, a simple fitting law ν_{ie}/ν_{ie}^{(0)}=a(ρ_{Be}/ρ_{0})^{b} is determined, where ν_{ie}^{(0)} is the relaxation rate corresponding to the normal metal density of Be and ρ_{0}, a, and b are the fitting parameters related to the temperature and the degree of ionization 〈Z〉 of the system. Our results are expected to be useful for future inertial confinement fusion experiments involving Be plasma.

Predicting Local Dengue Transmission in Guangzhou, China, through the Influence of Imported Cases, Mosquito Density and Climate Variability

PubMed Central

Sang, Shaowei; Yin, Wenwu; Bi, Peng; Zhang, Honglong; Wang, Chenggang; Liu, Xiaobo; Chen, Bin; Yang, Weizhong; Liu, Qiyong

2014-01-01

Introduction Each year there are approximately 390 million dengue infections worldwide. Weather variables have a significant impact on the transmission of Dengue Fever (DF), a mosquito borne viral disease. DF in mainland China is characterized as an imported disease. Hence it is necessary to explore the roles of imported cases, mosquito density and climate variability in dengue transmission in China. The study was to identify the relationship between dengue occurrence and possible risk factors and to develop a predicting model for dengue’s control and prevention purpose. Methodology and Principal Findings Three traditional suburbs and one district with an international airport in Guangzhou city were selected as the study areas. Autocorrelation and cross-correlation analysis were used to perform univariate analysis to identify possible risk factors, with relevant lagged effects, associated with local dengue cases. Principal component analysis (PCA) was applied to extract principal components and PCA score was used to represent the original variables to reduce multi-collinearity. Combining the univariate analysis and prior knowledge, time-series Poisson regression analysis was conducted to quantify the relationship between weather variables, Breteau Index, imported DF cases and the local dengue transmission in Guangzhou, China. The goodness-of-fit of the constructed model was determined by pseudo-R2, Akaike information criterion (AIC) and residual test. There were a total of 707 notified local DF cases from March 2006 to December 2012, with a seasonal distribution from August to November. There were a total of 65 notified imported DF cases from 20 countries, with forty-six cases (70.8%) imported from Southeast Asia. The model showed that local DF cases were positively associated with mosquito density, imported cases, temperature, precipitation, vapour pressure and minimum relative humidity, whilst being negatively associated with air pressure, with different time lags. Conclusions Imported DF cases and mosquito density play a critical role in local DF transmission, together with weather variables. The establishment of an early warning system, using existing surveillance datasets will help to control and prevent dengue in Guangzhou, China. PMID:25019967

Predicting local dengue transmission in Guangzhou, China, through the influence of imported cases, mosquito density and climate variability.

PubMed

Sang, Shaowei; Yin, Wenwu; Bi, Peng; Zhang, Honglong; Wang, Chenggang; Liu, Xiaobo; Chen, Bin; Yang, Weizhong; Liu, Qiyong

2014-01-01

Each year there are approximately 390 million dengue infections worldwide. Weather variables have a significant impact on the transmission of Dengue Fever (DF), a mosquito borne viral disease. DF in mainland China is characterized as an imported disease. Hence it is necessary to explore the roles of imported cases, mosquito density and climate variability in dengue transmission in China. The study was to identify the relationship between dengue occurrence and possible risk factors and to develop a predicting model for dengue's control and prevention purpose. Three traditional suburbs and one district with an international airport in Guangzhou city were selected as the study areas. Autocorrelation and cross-correlation analysis were used to perform univariate analysis to identify possible risk factors, with relevant lagged effects, associated with local dengue cases. Principal component analysis (PCA) was applied to extract principal components and PCA score was used to represent the original variables to reduce multi-collinearity. Combining the univariate analysis and prior knowledge, time-series Poisson regression analysis was conducted to quantify the relationship between weather variables, Breteau Index, imported DF cases and the local dengue transmission in Guangzhou, China. The goodness-of-fit of the constructed model was determined by pseudo-R2, Akaike information criterion (AIC) and residual test. There were a total of 707 notified local DF cases from March 2006 to December 2012, with a seasonal distribution from August to November. There were a total of 65 notified imported DF cases from 20 countries, with forty-six cases (70.8%) imported from Southeast Asia. The model showed that local DF cases were positively associated with mosquito density, imported cases, temperature, precipitation, vapour pressure and minimum relative humidity, whilst being negatively associated with air pressure, with different time lags. Imported DF cases and mosquito density play a critical role in local DF transmission, together with weather variables. The establishment of an early warning system, using existing surveillance datasets will help to control and prevent dengue in Guangzhou, China.

Combined approaches to flexible fitting and assessment in virus capsids undergoing conformational change☆

PubMed Central

Pandurangan, Arun Prasad; Shakeel, Shabih; Butcher, Sarah Jane; Topf, Maya

2014-01-01

Fitting of atomic components into electron cryo-microscopy (cryoEM) density maps is routinely used to understand the structure and function of macromolecular machines. Many fitting methods have been developed, but a standard protocol for successful fitting and assessment of fitted models has yet to be agreed upon among the experts in the field. Here, we created and tested a protocol that highlights important issues related to homology modelling, density map segmentation, rigid and flexible fitting, as well as the assessment of fits. As part of it, we use two different flexible fitting methods (Flex-EM and iMODfit) and demonstrate how combining the analysis of multiple fits and model assessment could result in an improved model. The protocol is applied to the case of the mature and empty capsids of Coxsackievirus A7 (CAV7) by flexibly fitting homology models into the corresponding cryoEM density maps at 8.2 and 6.1 Å resolution. As a result, and due to the improved homology models (derived from recently solved crystal structures of a close homolog – EV71 capsid – in mature and empty forms), the final models present an improvement over previously published models. In close agreement with the capsid expansion observed in the EV71 structures, the new CAV7 models reveal that the expansion is accompanied by ∼5° counterclockwise rotation of the asymmetric unit, predominantly contributed by the capsid protein VP1. The protocol could be applied not only to viral capsids but also to many other complexes characterised by a combination of atomic structure modelling and cryoEM density fitting. PMID:24333899

A map of local adaptation in Arabidopsis thaliana.

PubMed

Fournier-Level, A; Korte, A; Cooper, M D; Nordborg, M; Schmitt, J; Wilczek, A M

2011-10-07

Local adaptation is critical for species persistence in the face of rapid environmental change, but its genetic basis is not well understood. Growing the model plant Arabidopsis thaliana in field experiments in four sites across the species' native range, we identified candidate loci for local adaptation from a genome-wide association study of lifetime fitness in geographically diverse accessions. Fitness-associated loci exhibited both geographic and climatic signatures of local adaptation. Relative to genomic controls, high-fitness alleles were generally distributed closer to the site where they increased fitness, occupying specific and distinct climate spaces. Independent loci with different molecular functions contributed most strongly to fitness variation in each site. Independent local adaptation by distinct genetic mechanisms may facilitate a flexible evolutionary response to changing environment across a species range.

Leaf and stem economics spectra drive diversity of functional plant traits in a dynamic global vegetation model.

PubMed

Sakschewski, Boris; von Bloh, Werner; Boit, Alice; Rammig, Anja; Kattge, Jens; Poorter, Lourens; Peñuelas, Josep; Thonicke, Kirsten

2015-01-22

Functional diversity is critical for ecosystem dynamics, stability and productivity. However, dynamic global vegetation models (DGVMs) which are increasingly used to simulate ecosystem functions under global change, condense functional diversity to plant functional types (PFTs) with constant parameters. Here, we develop an individual- and trait-based version of the DGVM LPJmL (Lund-Potsdam-Jena managed Land) called LPJmL- flexible individual traits (LPJmL-FIT) with flexible individual traits) which we apply to generate plant trait maps for the Amazon basin. LPJmL-FIT incorporates empirical ranges of five traits of tropical trees extracted from the TRY global plant trait database, namely specific leaf area (SLA), leaf longevity (LL), leaf nitrogen content (N area ), the maximum carboxylation rate of Rubisco per leaf area (vcmaxarea), and wood density (WD). To scale the individual growth performance of trees, the leaf traits are linked by trade-offs based on the leaf economics spectrum, whereas wood density is linked to tree mortality. No preselection of growth strategies is taking place, because individuals with unique trait combinations are uniformly distributed at tree establishment. We validate the modeled trait distributions by empirical trait data and the modeled biomass by a remote sensing product along a climatic gradient. Including trait variability and trade-offs successfully predicts natural trait distributions and achieves a more realistic representation of functional diversity at the local to regional scale. As sites of high climatic variability, the fringes of the Amazon promote trait divergence and the coexistence of multiple tree growth strategies, while lower plant trait diversity is found in the species-rich center of the region with relatively low climatic variability. LPJmL-FIT enables to test hypotheses on the effects of functional biodiversity on ecosystem functioning and to apply the DGVM to current challenges in ecosystem management from local to global scales, that is, deforestation and climate change effects. © 2015 John Wiley & Sons Ltd.

Mapping the Dark Matter with 6dFGS

NASA Astrophysics Data System (ADS)

Mould, Jeremy R.; Magoulas, C.; Springob, C.; Colless, M.; Jones, H.; Lucey, J.; Erdogdu, P.; Campbell, L.

2012-05-01

Fundamental plane distances from the 6dF Galaxy Redshift Survey are fitted to a model of the density field within 200/h Mpc. Likelihood is maximized for a single value of the local galaxy density, as expected in linear theory for the relation between overdensity and peculiar velocity. The dipole of the inferred southern hemisphere early type galaxy peculiar velocities is calculated within 150/h Mpc, before and after correction for the individual galaxy velocities predicted by the model. The former agrees with that obtained by other peculiar velocity studies (e.g. SFI++). The latter is only of order 150 km/sec and consistent with the expectations of the standard cosmological model and recent forecasts of the cosmic mach number, which show linearly declining bulk flow with increasing scale.

Isovector dipole resonance and shear viscosity in low energy heavy-ion collisions

NASA Astrophysics Data System (ADS)

Guo, C. Q.; Ma, Y. G.; He, W. B.; Cao, X. G.; Fang, D. Q.; Deng, X. G.; Zhou, C. L.

2017-05-01

The ratio of shear viscosity over entropy density in low energy heavy-ion collision has been calculated by using the Green-Kubo method in the framework of an extended quantum molecular dynamics model. After the system almost reaches a local equilibration for a head-on 40Ca+100Mo collision, thermodynamic and transport properties are extracted. Meanwhile, the isovector giant dipole resonance (IVGDR) of the collision system also is studied. By the Gaussian fits to the IVGDR photon spectra, the peak energies of the IVGDR are extracted at different incident energies. The result shows that the IVGDR peak energy has a positive correlation with the ratio of shear viscosity over entropy density. This is a quantum effect and indicates a difference between nuclear matter and classical fluid.

Local and global epidemic outbreaks in populations moving in inhomogeneous environments

NASA Astrophysics Data System (ADS)

Buscarino, Arturo; Fortuna, Luigi; Frasca, Mattia; Rizzo, Alessandro

2014-10-01

We study disease spreading in a system of agents moving in a space where the force of infection is not homogeneous. Agents are random walkers that additionally execute long-distance jumps, and the plane in which they move is divided into two regions where the force of infection takes different values. We show the onset of a local epidemic threshold and a global one and explain them in terms of mean-field approximations. We also elucidate the critical role of the agent velocity, jump probability, and density parameters in achieving the conditions for local and global outbreaks. Finally, we show that the results are independent of the specific microscopic rules adopted for agent motion, since a similar behavior is also observed for the distribution of agent velocity based on a truncated power law, which is a model often used to fit real data on motion patterns of animals and humans.

Local area disadvantage and gambling involvement and disorder: Evidence for gene-environment correlation and interaction.

PubMed

Slutske, Wendy S; Deutsch, Arielle R; Statham, Dixie J; Martin, Nicholas G

2015-08-01

Previous research has demonstrated that local area characteristics (such as disadvantage and gambling outlet density) and genetic risk factors are associated with gambling involvement and disordered gambling. These 2 lines of research were brought together in the present study by examining the extent to which genetic contributions to individual differences in gambling involvement and disorder contributed to being exposed to, and were also accentuated by, local area disadvantage. Participants were members of the national community-based Australian Twin Registry who completed a telephone interview in which the past-year frequency of gambling and symptoms of disordered gambling were assessed. Indicators of local area disadvantage were based on census data matched to the participants' postal codes. Univariate biometric model-fitting revealed that exposure to area disadvantage was partially explained by genetic factors. Bivariate biometric model-fitting was conducted to examine the evidence for gene-environment interaction while accounting for gene-environment correlation. These analyses demonstrated that: (a) a small portion of the genetic propensity to gamble was explained by moving to or remaining in a disadvantaged area, and (b) the remaining genetic and unique environmental variation in the frequency of participating in electronic machine gambling (among men and women) and symptoms of disordered gambling (among women) was greater in more disadvantaged localities. As the gambling industry continues to grow, it will be important to take into account the multiple contexts in which problematic gambling behavior can emerge-from genes to geography-as well as the ways in which such contexts may interact with each other. (c) 2015 APA, all rights reserved).

Local Area Disadvantage and Gambling Involvement and Disorder: Evidence for Gene-Environment Correlation and Interaction

PubMed Central

Slutske, Wendy S.; Deutsch, Arielle R.; Statham, Dixie B.; Martin, Nicholas G.

2015-01-01

Previous research has demonstrated that local area characteristics (such as disadvantage and gambling outlet density) and genetic risk factors are associated with gambling involvement and disordered gambling. These two lines of research were brought together in the present study by examining the extent to which genetic contributions to individual differences in gambling involvement and disorder contributed to being exposed to, and were also accentuated by, local area disadvantage. Participants were members of the national community-based Australian Twin Registry who completed a telephone interview in which the past-year frequency of gambling and symptoms of disordered gambling were assessed. Indicators of local area disadvantage were based on census data matched to the participants' postal codes. Univariate biometric model-fitting revealed that exposure to area disadvantage was partially explained by genetic factors. Bivariate biometric model-fitting was conducted to examine the evidence for gene-environment interaction while accounting for gene-environment correlation. These analyses demonstrated that: (a) a small portion of the genetic propensity to gamble was explained by moving to or remaining in a disadvantaged area, and (b) the remaining genetic and unique environmental variation in the frequency of participating in electronic machine gambling (among men and women) and symptoms of disordered gambling (among women) was greater in more disadvantaged localities. As the gambling industry continues to grow, it will be important to take into account the multiple contexts in which problematic gambling behavior can emerge -- from genes to geography -- as well as the ways in which such contexts may interact with each other. PMID:26147321

Fitting of the Thomson scattering density and temperature profiles on the COMPASS tokamak

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stefanikova, E.; Division of Fusion Plasma Physics, KTH Royal Institute of Technology, SE-10691 Stockholm; Peterka, M.

2016-11-15

A new technique for fitting the full radial profiles of electron density and temperature obtained by the Thomson scattering diagnostic in H-mode discharges on the COMPASS tokamak is described. The technique combines the conventionally used modified hyperbolic tangent function for the edge transport barrier (pedestal) fitting and a modification of a Gaussian function for fitting the core plasma. Low number of parameters of this combined function and their straightforward interpretability and controllability provide a robust method for obtaining physically reasonable profile fits. Deconvolution with the diagnostic instrument function is applied on the profile fit, taking into account the dependence onmore » the actual magnetic configuration.« less

FragFit: a web-application for interactive modeling of protein segments into cryo-EM density maps.

PubMed

Tiemann, Johanna K S; Rose, Alexander S; Ismer, Jochen; Darvish, Mitra D; Hilal, Tarek; Spahn, Christian M T; Hildebrand, Peter W

2018-05-21

Cryo-electron microscopy (cryo-EM) is a standard method to determine the three-dimensional structures of molecular complexes. However, easy to use tools for modeling of protein segments into cryo-EM maps are sparse. Here, we present the FragFit web-application, a web server for interactive modeling of segments of up to 35 amino acids length into cryo-EM density maps. The fragments are provided by a regularly updated database containing at the moment about 1 billion entries extracted from PDB structures and can be readily integrated into a protein structure. Fragments are selected based on geometric criteria, sequence similarity and fit into a given cryo-EM density map. Web-based molecular visualization with the NGL Viewer allows interactive selection of fragments. The FragFit web-application, accessible at http://proteinformatics.de/FragFit, is free and open to all users, without any login requirements.

Structure of the Mimas 5:3 Bending Wave in Saturn's Rings

NASA Astrophysics Data System (ADS)

Sega, Daniel D.; Colwell, Josh E.

2016-10-01

Saturn's moon Mimas is on an inclined orbit with several strong vertical orbital resonances in Saturn's rings. The 5:3 inner vertical resonance with Mimas lies in the outer A ring and produces a prominent spiral bending wave (BW) that propagates away from Mimas. While dozens of density waves in Saturn's rings have been analyzed to determine local surface mass densities and viscosities, the number of bending waves is limited by the requirement for a moon on an inclined orbit and because, unlike the Lindblad resonances that excite density waves, there can be no first order vertical resonances. The Mimas 5:3 BW is the most prominent in the ring system. Bending wave theory was initially developed by Shu et al. (1983, Icarus, 53, 185-206) following the Voyager encounters with Saturn. Later, Gresh et al. (1986, Icarus, 68, 481-502) modeled radio science occultation data of the Mimas 5:3 BW with an imperfect fit to the theory. The multitude of high resolution stellar occultations observed by Cassini UVIS provides an opportunity to reconstruct the full three-dimensional structure of this wave and learn more about local ring properties. Occultations at high elevation angles out of the ring plane are insensitive to the wave structure due to the small angles of the vertical warping of the rings in the wave. They thus reveal the underlying structure in the wave region. There is a symmetric increase in optical depth throughout the Mimas 5:3 BW region. This may be due to an increase in the abundance of small particles without a corresponding increase in surface mass density. We include this feature in a ray-tracing model of the vertical structure of the wave and fit it to multiple UVIS occultations. The observed amplitude of the wave and its damping behavior of are not well-described by the Shu et al. model, which assumes a fluid-like damping mechanism. A different damping behavior of the ring, perhaps radially varying across the wave region due to differences in the particle size distribution and/or structure of the self-gravity wakes in the ring, is needed to match observations.

Evidence for GeV cosmic rays from white dwarfs in the local cosmic ray spectra and in the gamma-ray emissivity of the inner Galaxy

NASA Astrophysics Data System (ADS)

Kamae, Tuneyoshi; Lee, Shiu-Hang; Makishima, Kazuo; Shibata, Shinpei; Shigeyama, Toshikazu

2018-03-01

Recent observations found that electrons are accelerated to ˜10 GeV and emit synchrotron hard X-rays in two magnetic white dwarfs (WDs), also known as cataclysmic variables (CVs). In nova outbursts of WDs, multi-GeV gamma-rays were detected, implying that protons are accelerated to 100 GeV or higher. In recent optical surveys, the WD density is found to be higher near the Sun than in the Galactic disk by a factor ˜2.5. The cosmic rays (CRs) produced by local CVs and novae will accumulate in the local bubble for 106-107 yr. On these findings, we search for CRs from historic CVs and novae in the observed CR spectra. We model the CR spectra at the heliopause as sums of Galactic and local components based on observational data as much as possible. The initial Galactic CR electron and proton spectra are deduced from the gamma-ray emissivity, the local electron spectrum from the hard X-ray spectra at the CVs, and the local proton spectrum from gamma-ray spectra at novae. These spectral shapes are then expressed in a simple set of polynomial functions of CR energy and regressively fitted until the high-energy (>100 GeV) CR spectra near Earth and the Voyager-1 spectra at the heliopause are reproduced. We then extend the modeling to nuclear CR spectra and find that one spectral shape fits all local nuclear CRs, and that the apparent hardening of the nuclear CR spectra is caused by the roll-down of local nuclear spectra around 100-200 GeV. All local CR spectra populate a limited energy band below 100-200 GeV and enhance gamma-ray emissivity below ˜10 GeV. Such an enhancement is observed in the inner Galaxy, suggesting the CR fluxes from CVs and novae are substantially higher there.

Density-dependent natural selection and trade-offs in life history traits.

PubMed

Mueller, L D; Guo, P Z; Ayala, F J

1991-07-26

Theories of density-dependent natural selection state that at extreme population densities evolution produces alternative life histories due to trade-offs. The trade-offs are presumed to arise because those genotypes with highest fitness at high population densities will not also have high fitness at low density and vice-versa. These predictions were tested by taking samples from six populations of Drosophila melanogaster kept at low population densities (r-populations) for nearly 200 generations and placing them in crowded cultures (K-populations). After 25 generations in the crowded cultures, the derived K-populations showed growth rate and productivity that at high densities were elevated relative to the controls, but at low density were depressed.

Local cellular neighborhood controls proliferation in cell competition

PubMed Central

Bove, Anna; Gradeci, Daniel; Fujita, Yasuyuki; Banerjee, Shiladitya; Charras, Guillaume; Lowe, Alan R.

2017-01-01

Cell competition is a quality-control mechanism through which tissues eliminate unfit cells. Cell competition can result from short-range biochemical inductions or long-range mechanical cues. However, little is known about how cell-scale interactions give rise to population shifts in tissues, due to the lack of experimental and computational tools to efficiently characterize interactions at the single-cell level. Here, we address these challenges by combining long-term automated microscopy with deep-learning image analysis to decipher how single-cell behavior determines tissue makeup during competition. Using our high-throughput analysis pipeline, we show that competitive interactions between MDCK wild-type cells and cells depleted of the polarity protein scribble are governed by differential sensitivity to local density and the cell type of each cell’s neighbors. We find that local density has a dramatic effect on the rate of division and apoptosis under competitive conditions. Strikingly, our analysis reveals that proliferation of the winner cells is up-regulated in neighborhoods mostly populated by loser cells. These data suggest that tissue-scale population shifts are strongly affected by cellular-scale tissue organization. We present a quantitative mathematical model that demonstrates the effect of neighbor cell–type dependence of apoptosis and division in determining the fitness of competing cell lines. PMID:28931601

Interfacial layering and capillary roughness in immiscible liquids.

PubMed

Geysermans, P; Pontikis, V

2010-08-21

The capillary roughness and the atomic density profiles of extended interfaces between immiscible liquids are determined as a function of the interface area by using molecular dynamics and Lennard-Jones (12-6) potentials. We found that with increasing area, the interface roughness diverges logarithmically, thus fitting the theoretical mean-field prediction. In systems small enough for the interfacial roughness not to blur the structural details, atomic density profiles across the fluid interface are layered with correlation length in the range of molecular correlations in liquids. On increasing the system size, the amplitude of the thermally excited position fluctuations of the interface increases, thus causing layering to rapidly vanish, if density profiles are computed without special care. In this work, we present and validate a simple method, operating in the direct space, for extracting from molecular dynamics trajectories the "intrinsic" structure of a fluid interface that is the local density profile of the interface cleaned from capillary wave effects. Estimated values of interfacial properties such as the tension, the intrinsic width, and the lower wavelength limit of position fluctuations are in agreement with results collected from the literature.

Metal-insulator transition in AlxGa1-xAs/GaAs heterostructures with large spacer width

NASA Astrophysics Data System (ADS)

Gold, A.

1991-10-01

Analytical results are presented for the mobility of a two-dimensional electron gas in a heterostructure with a thick spacer layer α. Due to multiple-scattering effects a metal-insulator transition occurs at a critical electron density Nc=N1/2i/(4π1/2α) (Ni is the impurity density). The transport mean free path l(t) (calculated in Born approximation) at the metal-insulator transition is l(t)c=2α. A localization criterion in terms of the renormalized single-particle mean free path l(sr) is presented: kFcl(sr)c=(1/2)1/2 (kFc is the Fermi wave number at the critical density). I compare the theoretical results with recent experimental results found in AlxGa1-xAs/GaAs heterostructures with large spacer width: 1200<α<2800 Å. Remote impurity doping and homogeneous background doping are considered. The only fitting parameter used for the theoretical results is the background doping density NB=6×1013 cm-3. My theory is in fair agreement with the experimental results.

Imfit: A Fast, Flexible Program for Astronomical Image Fitting

NASA Astrophysics Data System (ADS)

Erwin, Peter

2014-08-01

Imift is an open-source astronomical image-fitting program specialized for galaxies but potentially useful for other sources, which is fast, flexible, and highly extensible. Its object-oriented design allows new types of image components (2D surface-brightness functions) to be easily written and added to the program. Image functions provided with Imfit include Sersic, exponential, and Gaussian galaxy decompositions along with Core-Sersic and broken-exponential profiles, elliptical rings, and three components that perform line-of-sight integration through 3D luminosity-density models of disks and rings seen at arbitrary inclinations. Available minimization algorithms include Levenberg-Marquardt, Nelder-Mead simplex, and Differential Evolution, allowing trade-offs between speed and decreased sensitivity to local minima in the fit landscape. Minimization can be done using the standard chi^2 statistic (using either data or model values to estimate per-pixel Gaussian errors, or else user-supplied error images) or the Cash statistic; the latter is particularly appropriate for cases of Poisson data in the low-count regime. The C++ source code for Imfit is available under the GNU Public License.

Solar cycle variation of the electron density in the topside ionosphere at local nighttime observed by DEMETER during 2006-2008

NASA Astrophysics Data System (ADS)

Zhang, Xuemin; Qian, Jiadong; Shen, Xuhui

2014-05-01

The solar cycle variations of electron density (Ne) in the topside ionosphere are presented by observations around local time 22:30 from Detection of Electro-Magnetic Emissions Transmitted from Earthquake Regions (DEMETER) satellite during 2006-2008 in the low solar activity, in which the revisited orbits are selected to construct Ne time sequences at different points. The results show that electron density (Ne) reduced 50-100% since 2006 to 2008 at equatorial area and middle latitudes, with much bigger maximal Ne in 2006 but even no yearly peak in 2007 and 2008 around 30° latitude. The seasonal asymmetry is revealed by the yearly maxima of Ne in December over Southern Hemisphere always being larger than those in June over Northern Hemisphere. Furthermore, the equinoctial asymmetry is found around the magnetic equator and high northern latitudes under the low solar activity, and the latter one has not been revealed in other research. Ne from IRI2012 is close to the actual observation by DEMETER in 2008, even better than those in 2006 and 2007, indicating the great improvement of this empirical ionospheric model in this extremely low solar minimum. After comparison with the fitted results by indices of F10.7 and EUV combined with the first five periods in Ne, EUV is a little better to describe the variations in Ne during this solar minimum. By discussing the relationship among nighttime Ne and molecules in upper atmosphere, the [O/N2] density ratio is the key factor at high latitude, while [O] density plays a certain role to electron density around the equator.

A Self-Organizing Incremental Neural Network based on local distribution learning.

PubMed

Xing, Youlu; Shi, Xiaofeng; Shen, Furao; Zhou, Ke; Zhao, Jinxi

2016-12-01

In this paper, we propose an unsupervised incremental learning neural network based on local distribution learning, which is called Local Distribution Self-Organizing Incremental Neural Network (LD-SOINN). The LD-SOINN combines the advantages of incremental learning and matrix learning. It can automatically discover suitable nodes to fit the learning data in an incremental way without a priori knowledge such as the structure of the network. The nodes of the network store rich local information regarding the learning data. The adaptive vigilance parameter guarantees that LD-SOINN is able to add new nodes for new knowledge automatically and the number of nodes will not grow unlimitedly. While the learning process continues, nodes that are close to each other and have similar principal components are merged to obtain a concise local representation, which we call a relaxation data representation. A denoising process based on density is designed to reduce the influence of noise. Experiments show that the LD-SOINN performs well on both artificial and real-word data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Population Genetics in Compressible Flows

NASA Astrophysics Data System (ADS)

Pigolotti, Simone; Benzi, Roberto; Jensen, Mogens H.; Nelson, David R.

2012-03-01

We study competition between two biological species advected by a compressible velocity field. Individuals are treated as discrete Lagrangian particles that reproduce or die in a density-dependent fashion. In the absence of a velocity field and fitness advantage, number fluctuations lead to a coarsening dynamics typical of the stochastic Fisher equation. We investigate three examples of compressible advecting fields: a shell model of turbulence, a sinusoidal velocity field and a linear velocity sink. In all cases, advection leads to a striking drop in the fixation time, as well as a large reduction in the global carrying capacity. We find localization on convergence zones, and very rapid extinction compared to well-mixed populations. For a linear velocity sink, one finds a bimodal distribution of fixation times. The long-lived states in this case are demixed configurations with a single interface, whose location depends on the fitness advantage.

Ion energetics at Saturn's magnetosphere using Cassini/MIMI measurements: A simple model for the energetic ion integral moments

NASA Astrophysics Data System (ADS)

Dialynas, K.; Paranicas, C.; Roussos, E.; Krimigis, S. M.; Kane, M.; Mitchell, D. G.

2015-12-01

We present a composite analysis (H+ and O+) of energetic ion spectra and kappa distribution fits, using combined ion measurements from Charge Energy Mass Spectrometer (CHEMS, 3 to 236 keV/e), Low Energy Magnetospheric Measurements System (LEMMS, 0.024 < E < 18 MeV), and the Ion Neutral Camera (INCA, ~5.2 to >220 keV for H+). The modeled expressions of these energetic ion distributions are then used to obtain the four integral particle moments (from zeroth to 3rd moment: n, In, P, IE, i.e. Density, Integral number intensity, Pressure, Integral energy intensity) as well as the characteristic energy (EC=IE/In) of these ions as a function of Local Time and L-Shell. We find that a) protons dominate the energetic ion (>30 keV) integral number and energy intensity at all radial distances (L>5 Rs) and local times, while the H+ and O+ partial pressures and densities are comparable; b) the 12

Assessing spatial inequalities in accessing community pharmacies: a mixed geographically weighted approach.

PubMed

Domnich, Alexander; Arata, Lucia; Amicizia, Daniela; Signori, Alessio; Gasparini, Roberto; Panatto, Donatella

2016-11-16

Geographical accessibility is an important determinant for the utilisation of community pharmacies. The present study explored patterns of spatial accessibility with respect to pharmacies in Liguria, Italy, a region with particular geographical and demographic features. Municipal density of pharmacies was proxied as the number of pharmacies per capita and per km2, and spatial autocorrelation analysis was performed to identify spatial clusters. Both non-spatial and spatial models were constructed to predict the study outcome. Spatial autocorrelation analysis showed a highly significant clustered pattern in the density of pharmacies per capita (I=0.082) and per km2 (I=0.295). Potentially under-supplied areas were mostly located in the mountainous hinterland. Ordinary least-squares (OLS) regressions established a significant positive relationship between the density of pharmacies and income among municipalities located at high altitudes, while no such association was observed in lower-lying areas. However, residuals of the OLS models were spatially auto-correlated. The best-fitting mixed geographically weighted regression (GWR) models outperformed the corresponding OLS models. Pharmacies per capita were best predicted by two local predictors (altitude and proportion of immigrants) and two global ones (proportion of elderly residents and income), while the local terms population, mean altitude and rural status and the global term income functioned as independent variables predicting pharmacies per km2. The density of pharmacies in Liguria was found to be associated with both socio-economic and landscape factors. Mapping of mixed GWR results would be helpful to policy-makers.

Simplified curve fits for the thermodynamic properties of equilibrium air

NASA Technical Reports Server (NTRS)

Srinivasan, S.; Tannehill, J. C.; Weilmuenster, K. J.

1987-01-01

New, improved curve fits for the thermodynamic properties of equilibrium air have been developed. The curve fits are for pressure, speed of sound, temperature, entropy, enthalpy, density, and internal energy. These curve fits can be readily incorporated into new or existing computational fluid dynamics codes if real gas effects are desired. The curve fits are constructed from Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits. These improvements are due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25 000 K and densities from 10 to the -7 to 10 to the 3d power amagats.

Carbon diffusion in molten uranium: an ab initio molecular dynamics study

NASA Astrophysics Data System (ADS)

Garrett, Kerry E.; Abrecht, David G.; Kessler, Sean H.; Henson, Neil J.; Devanathan, Ram; Schwantes, Jon M.; Reilly, Dallas D.

2018-04-01

In this work we used ab initio molecular dynamics within the framework of density functional theory and the projector-augmented wave method to study carbon diffusion in liquid uranium at temperatures above 1600 K. The electronic interactions of carbon and uranium were described using the local density approximation (LDA). The self-diffusion of uranium based on this approach is compared with literature computational and experimental results for liquid uranium. The temperature dependence of carbon and uranium diffusion in the melt was evaluated by fitting the resulting diffusion coefficients to an Arrhenius relationship. We found that the LDA calculated activation energy for carbon was nearly twice that of uranium: 0.55 ± 0.03 eV for carbon compared to 0.32 ± 0.04 eV for uranium. Structural analysis of the liquid uranium-carbon system is also discussed.

Serengeti real estate: density vs. fitness-based indicators of lion habitat quality.

PubMed

Mosser, Anna; Fryxell, John M; Eberly, Lynn; Packer, Craig

2009-10-01

Habitat quality is typically inferred by assuming a direct relationship between consumer density and resource abundance, although it has been suggested that consumer fitness may be a more accurate measure of habitat quality. We examined density vs. fitness-based measures of habitat quality for lions in the Serengeti National Park, Tanzania. A 40-year average of female reproductive success (yearling cubs per female) was best explained by proximity to river confluences, whereas patterns of productivity (yearling cubs per km(2)) and adult female density (individuals per km(2)) were associated with more general measures of habitat quality and areas of shelter in poor habitat. This suggests that density may not accurately distinguish between high-quality 'source' areas and low-quality sites that merely provide refuges for effectively non-reproductive individuals. Our results indicate that density may be a misleading indicator of real estate value, particularly for populations that do not conform to an ideal free distribution.

Unconventional superconductivity in the strong-coupling limit for the heavy fermion system CeCoIn5

NASA Astrophysics Data System (ADS)

Fasano, Y.; Szabó, P.; Kačmarčík, J.; Pribulová, Z.; Pedrazzini, P.; Samuely, P.; Correa, V. F.

2018-05-01

We present scanning tunneling spectroscopy measurements of the local quasiparticles' excitation spectra of the heavy fermion CeCoIn5 between 440 mK and 3 K in samples with a bulk Tc = 2.25 K . The spectral shape of our low-temperature tunneling data, quite textbook nodal- Δ conductance, allow us to confidently fit the spectra with a d-wave density of states considering also a shortening of quasiparticles' lifetime term Γ. The Δ (0) value obtained from the fits yields a BCS ratio 2 Δ /kTc = 7.73 suggesting that CeCoIn5 is an unconventional superconductor in the strong coupling limit. The fits also reveal that the height of coherence peaks in CeCoIn5 is reduced with respect to a pure BCS spectra and therefore the coupling of quasiparticles with spin excitations should play a relevant role. The tunneling conductance shows a depletion at energies smaller than Δ for temperatures larger than the bulk Tc, giving further support to the existence of a pseudogap phase that in our samples span up to T* ∼ 1.2Tc . The phenomenological scaling of the pseudogap temperature observed in various families of cuprates, 2 Δ /kT* ∼ 4.3 , is not fulfilled in our measurements. This suggests that in CeCoIn5 the strong magnetic fluctuations might conspire to close the local superconducting gap at a smaller pesudogap temperature-scale than in cuprates.

Trait-mediated assembly processes predict successional changes in community diversity of tropical forests.

PubMed

Lasky, Jesse R; Uriarte, María; Boukili, Vanessa K; Chazdon, Robin L

2014-04-15

Interspecific differences in relative fitness can cause local dominance by a single species. However, stabilizing interspecific niche differences can promote local diversity. Understanding these mechanisms requires that we simultaneously quantify their effects on demography and link these effects to community dynamics. Successional forests are ideal systems for testing assembly theory because they exhibit rapid community assembly. Here, we leverage functional trait and long-term demographic data to build spatially explicit models of successional community dynamics of lowland rainforests in Costa Rica. First, we ask what the effects and relative importance of four trait-mediated community assembly processes are on tree survival, a major component of fitness. We model trait correlations with relative fitness differences that are both density-independent and -dependent in addition to trait correlations with stabilizing niche differences. Second, we ask how the relative importance of these trait-mediated processes relates to successional changes in functional diversity. Tree dynamics were more strongly influenced by trait-related interspecific variation in average survival than trait-related responses to neighbors, with wood specific gravity (WSG) positively correlated with greater survival. Our findings also suggest that competition was mediated by stabilizing niche differences associated with specific leaf area (SLA) and leaf dry matter content (LDMC). These drivers of individual-level survival were reflected in successional shifts to higher SLA and LDMC diversity but lower WSG diversity. Our study makes significant advances to identifying the links between individual tree performance, species functional traits, and mechanisms of tropical forest succession.

Physical cell interactions with their surrounding materials: Mechanics and geometrical factors using microfluidic platforms

NASA Astrophysics Data System (ADS)

Lopez Garcia, Maria Del Carmen

Microfluidics platforms are employed in: "sperm motion in a microfluidic device" and "mechanical interactions of mammary gland cells with their surrounding three dimensional extra-cellular matrix". Microfluidics has shown promise as a new platform for assisted reproduction. Sperm and fluid motion in microchannels was studied to understand the flow characteristics in the device, how sperm interacted with this flow, and how sperm-oocyte attachment occurs in the device. A threshold fluid velocity was found where sperm transition from traveling with the fluid to a regime in which they can move independently. A population of sperm remained in the inlet well area. There was also the tendency of sperm to travel along surface contours. These observations provide an improved understanding of sperm motion in microchannels and a basis for improved device designs. The effort to understand the development of breast cancer motivates the study of mammary gland cells and their interactions with the extra-cellular matrix. Mammographic density is a risk factor for breast cancer which correlates with collagen density affects cell behavior. Collagen gels with concentrations of 1.3, 2, and 3 mg/mL, were tensile tested to obtain the Young's modulus, E, at low displacement rates of 0.01, 0.1, and 1 mm/min. Local strain measurement in the gage section were used for both strain and strain rate determination. Local strain rates were on the order of cellular generated strain rate. A power law fitting described the relationship between Young's modulus and local strain rate. Mammary gland cells were seeded with collagen and fluorescent beads into microchannels and observed via four-dimensional imaging. The displacements of the beads were used to calculate strains. The Young's modulus due to the rate at which the cell was straining the collagen was obtained from the aforementioned fittings. Three-dimensional elastic theory for an isotropic material was employed to calculate the stress. The cells in the more compliant gels achieved higher strains. The stresses portrayed a fluctuating behavior. This technique adds to the field of measuring cell generated stresses by providing the capability of measuring 3D stresses locally around the single cell and using physiologically relevant materials properties for analysis.

Statistical corruption in Beijing's air quality data has likely ended in 2012

NASA Astrophysics Data System (ADS)

Stoerk, Thomas

2016-02-01

This research documents changes in likely misreporting in official air quality data from Beijing for the years 2008-2013. It is shown that, consistent with prior research, the official Chinese data report suspiciously few observations that exceed the politically important Blue Sky Day threshold, a particular air pollution level used to evaluate local officials, and an excess of observations just below that threshold. Similar data, measured by the US Embassy in Beijing, do not show this irregularity. To document likely misreporting, this analysis proposes a new way of comparing air quality data via Benford's Law, a statistical regularity known to fit air pollution data. Using this method to compare the official data to the US Embassy data for the first time, I find that the Chinese data fit Benford's Law poorly until a change in air quality measurements at the end of 2012. From 2013 onwards, the Chinese data fit Benford's Law closely. The US Embassy data, by contrast, exhibit no variation over time in the fit with Benford's Law, implying that the underlying pollution processes remain unchanged. These findings suggest that misreporting of air quality data for Beijing has likely ended in 2012. Additionally, I use aerosol optical density data to show the general applicability of this method of detecting likely misreporting in air pollution data.

The 6300 A O/1-D/ airglow and dissociative recombination

NASA Technical Reports Server (NTRS)

Wickwar, V. B.; Cogger, L. L.; Carlson, H. C.

1974-01-01

Measurements of night-time 6300 A airglow intensities at the Arecibo Observatory have been compared with dissociative recombination calculations based on electron densities derived from simultaneous incoherent backscatter measurements. The agreement indicates that the nightglow can be fully accounted for by dissociative recombination. The comparisons are examined to determine the importance of quenching, heavy ions, ionization above the F-layer peak, and the temperature parameter of the model atmosphere. Comparable fits between the observed and calculated intensities are found for several available model atmospheres. The least-squares fitting process, used to make the comparisons, produces comparable fits over a wide range of combinations of neutral densities and of reaction constants. Yet, the fitting places constraints upon the possible combinations; these constraints indicate that the latest laboratory chemical constants and densities extrapolated to a base altitude are mutually consistent.

Improved OSIRIS NO2 retrieval algorithm: description and validation

NASA Astrophysics Data System (ADS)

Sioris, Christopher E.; Rieger, Landon A.; Lloyd, Nicholas D.; Bourassa, Adam E.; Roth, Chris Z.; Degenstein, Douglas A.; Camy-Peyret, Claude; Pfeilsticker, Klaus; Berthet, Gwenaël; Catoire, Valéry; Goutail, Florence; Pommereau, Jean-Pierre; McLinden, Chris A.

2017-03-01

A new retrieval algorithm for OSIRIS (Optical Spectrograph and Infrared Imager System) nitrogen dioxide (NO2) profiles is described and validated. The algorithm relies on spectral fitting to obtain slant column densities of NO2, followed by inversion using an algebraic reconstruction technique and the SaskTran spherical radiative transfer model (RTM) to obtain vertical profiles of local number density. The validation covers different latitudes (tropical to polar), years (2002-2012), all seasons (winter, spring, summer, and autumn), different concentrations of nitrogen dioxide (from denoxified polar vortex to polar summer), a range of solar zenith angles (68.6-90.5°), and altitudes between 10.5 and 39 km, thereby covering the full retrieval range of a typical OSIRIS NO2 profile. The use of a larger spectral fitting window than used in previous retrievals reduces retrieval uncertainties and the scatter in the retrieved profiles due to noisy radiances. Improvements are also demonstrated through the validation in terms of bias reduction at 15-17 km relative to the OSIRIS operational v3.0 algorithm. The diurnal variation of NO2 along the line of sight is included in a fully spherical multiple scattering RTM for the first time. Using this forward model with built-in photochemistry, the scatter of the differences relative to the correlative balloon NO2 profile data is reduced.

Dependence of Edge Profiles and Stability on Neutral Beam Power in NSTX

NASA Astrophysics Data System (ADS)

Travis, P.; Canal, G. P.; Osborne, T. H.; Maingi, R.; Sabbagh, S. A.; NSTX-U Team

2016-10-01

Studying the effect of neutral beam injected (NBI) power on edge plasma profiles and magnetohydrodynamic (MHD) stability is central to the understanding of edge-localized modes (ELMs). Higher heating power should quicken the development of pressure and current-driven peeling-ballooning modes. NSTX ELMy H-mode discharges with NBI power of 4, 5 and 6 MW were analyzed with a python-based set of analysis tools that fit plasma profiles, compute kinetic equilibria, and evaluate the MHD stability with the code ELITE. Electron density and temperature from Thomson scattering measurements, and ion density, temperature, and rotation from Charge Exchange Recombination Spectroscopy were inputs to the kinetic equilibrium fits. The power scan provides an opportunity to compare the stability calculations from the ELITE (ideal) and M3D-C1 (resistive) codes. Preliminary analysis shows that edge pressure profiles for the 5 and 6 MW discharges are comparable, suggesting they both reach a stability boundary. The 4 MW case shows lower edge pressure, which is likely limited by edge transport below the edge stability boundary. This work was supported in part by the U.S. Department of Energy, Office of Science, Office of Workforce Development for Teachers and Scientists (WDTS) under the Science Undergraduate Laboratory Internship (SULI) program.

Automated crystallographic ligand building using the medial axis transform of an electron-density isosurface.

PubMed

Aishima, Jun; Russel, Daniel S; Guibas, Leonidas J; Adams, Paul D; Brunger, Axel T

2005-10-01

Automatic fitting methods that build molecules into electron-density maps usually fail below 3.5 A resolution. As a first step towards addressing this problem, an algorithm has been developed using an approximation of the medial axis to simplify an electron-density isosurface. This approximation captures the central axis of the isosurface with a graph which is then matched against a graph of the molecular model. One of the first applications of the medial axis to X-ray crystallography is presented here. When applied to ligand fitting, the method performs at least as well as methods based on selecting peaks in electron-density maps. Generalization of the method to recognition of common features across multiple contour levels could lead to powerful automatic fitting methods that perform well even at low resolution.

THE PEAKS AND GEOMETRY OF FITNESS LANDSCAPES

PubMed Central

CRONA, KRISTINA; GREENE, DEVIN; BARLOW, MIRIAM

2012-01-01

Fitness landscapes are central in the theory of adaptation. Recent work compares global and local properties of fitness landscapes. It has been shown that multi-peaked fitness landscapes have a local property called reciprocal sign epistasis interactions. The converse is not true. We show that no condition phrased in terms of reciprocal sign epistasis interactions only, implies multiple peaks. We give a sufficient condition for multiple peaks phrased in terms of two-way interactions. This result is surprising since it has been claimed that no sufficient local condition for multiple peaks exist. We show that our result cannot be generalized to sufficient conditions for three or more peaks. Our proof depends on fitness graphs, where nodes represent genotypes and where arrows point toward more fit genotypes. We also use fitness graphs in order to give a new brief proof of the equivalent characterizations of fitness landscapes lacking genetic constraints on accessible mutational trajectories. We compare a recent geometric classification of fitness landscape based on triangulations of polytopes with qualitative aspects of gene interactions. One observation is that fitness graphs provide information not contained in the geometric classification. We argue that a qualitative perspective may help relating theory of fitness landscapes and empirical observations. PMID:23036916

DIY EOS: Experimentally Validated Equations of State for Planetary Fluids to GPa Pressures, Tools for Understanding Planetary Processes and Habitability

NASA Astrophysics Data System (ADS)

Vance, Steven; Brown, J. Michael; Bollengier, Olivier

2016-10-01

Sound speeds are fundamental to seismology, and provide a path allowing the accurate determination of thermodynamic potentials. Prior equations of state (EOS) for pure ammonia (Harr and Gallagher 1978, Tillner-Roth et al. 1993) are based primarily on measured densities and heat capacities. Sound speeds, not included in the fitting, are poorly predicted.We couple recent high pressure sound speed data with prior densities and heat capacities to generate a new equation of state. Our representation fits both the earlier lower pressure work as well as measured sound speeds to 4 GPa and 700 K and the Hugoniot to 70 GPa and 6000 K.In contrast to the damped polynomial representation previously used, our equation of state is based on local basis functions in the form of tensor b-splines. Regularization allows the thermodynamic surface to be continued into regimes poorly sampled by experiments. We discuss application of this framework for aqueous equations of state validated by experimental measurements. Preliminary equations of state have been prepared applying the local basis function methodology to aqueous NH3, Mg2SO4, NaCl, and Na2SO4. We describe its use for developing new equations of state, and provide some applications of the new thermodynamic data to the interior structures of gas giant planets and ocean worlds.References:L. Haar and J. S. Gallagher. Thermodynamic properties of ammonia. American Chemical Society and the American Institute of Physics for the National Bureau of Standards, 1978.R. Tillner-Roth, F. Harms-Watzenberg, and H. Baehr. Eine neue fundamentalgleichung fuer ammoniak. DKV TAGUNGSBERICHT, 20:67-67, 1993.

The X-ray footprint of the circumnuclear disc

NASA Astrophysics Data System (ADS)

Mossoux, Enmanuelle; Eckart, Andreas

2018-03-01

We studied the central regions of the Galactic Centre to determine if the circumnuclear disc (CND) acts as an absorber or a barrier for the central X-rays diffuse emission. After reprocessing 4.6 Ms of Chandra observations, we were able to detect, for the first time, a depression in the X-ray luminosity of the diffuse emission whose size and location correspond to those of the CND. We extracted the X-ray spectra for various regions inside the CND footprint as well as for the region where the footprint is observed and for a region located outside the footprint. We simultaneously fitted these spectra as an optically thin plasma whose absorption by the interstellar medium (ISM) and by the local plasma were fitted independently using the Markov chain Monte Carlo method. The hydrogen column density of the ISM is 7.5 × 1022 cm-2. The X-ray diffuse emission inside the CND footprint is formed by a 2T plasma of 1 and 4 keV with slightly super-solar abundances except for the iron and carbon that are sub-solar. The plasma from the CND, in turn, is better described by a 1T model with abundances and local hydrogen column density that are very different from those of the innermost regions. The large iron abundance in this region confirms that the CND is dominated by the shock-heated ejecta of the Sgr A East supernova remnant. We deduced that the CND rather acts as a barrier for the Galactic Centre plasma and that the plasma located outside the CND may correspond to the collimated outflow possibly created by Sgr A* or the interaction between the wind of massive stars and the mini-spiral material.

Fidelity and breeding probability related to population density and individual quality in black brent geese Branta bernicla nigricans

USGS Publications Warehouse

Sedinger, J.S.; Chelgren, N.D.; Ward, D.H.; Lindberg, M.S.

2008-01-01

1. Patterns of temporary emigration (associated with non-breeding) are important components of variation in individual quality. Permanent emigration from the natal area has important implications for both individual fitness and local population dynamics. 2. We estimated both permanent and temporary emigration of black brent geese (Branta bernicla nigricans Lawrence) from the Tutakoke River colony, using observations of marked brent geese on breeding and wintering areas, and recoveries of ringed individuals by hunters. We used the likelihood developed by Lindberg, Kendall, Hines & Anderson 2001 (Combining band recovery data and Pollock's robust design to model temporary and permanent emigration. Biometrics, 57, 273-281) to assess hypotheses and estimate parameters. 3. Temporary emigration (the converse of breeding) varied among age classes up to age 5, and differed between individuals that bred in the previous years vs. those that did not. Consistent with the hypothesis of variation in individual quality, individuals with a higher probability of breeding in one year also had a higher probability of breeding the next year. 4. Natal fidelity of females ranged from 0.70 ?? 0.07-0.96 ?? 0.18 and averaged 0.83. In contrast to Lindberg et al. (1998), we did not detect a relationship between fidelity and local population density. Natal fidelity was negatively correlated with first-year survival, suggesting that competition among individuals of the same age for breeding territories influenced dispersal. Once females nested at the Tutakoke River, colony breeding fidelity was 1.0. 5. Our analyses show substantial variation in individual quality associated with fitness, which other analyses suggest is strongly influenced by early environment. Our analyses also suggest substantial interchange among breeding colonies of brent geese, as first shown by Lindberg et al. (1998).

Mid-J CO Shock Tracing Observations of Infrared Dark Clouds. III. SLED Fitting

NASA Astrophysics Data System (ADS)

Pon, A.; Kaufman, M. J.; Johnstone, D.; Caselli, P.; Fontani, F.; Butler, M. J.; Jiménez-Serra, I.; Palau, A.; Tan, J. C.

2016-08-01

Giant molecular clouds contain supersonic turbulence that can locally heat small fractions of gas to over 100 K. We run shock models for low-velocity, C-type shocks propagating into gas with densities between 103 and 105 cm-3 and find that CO lines are the most important cooling lines. Comparison to photodissociation region (PDR) models indicates that mid-J CO lines (J = 8 \\to 7 and higher) should be dominated by emission from shocked gas. In Papers I and II we presented CO J = 3 \\to 2, 8 \\to 7, and 9 \\to 8 observations toward four primarily quiescent clumps within infrared dark clouds. Here we fit PDR models to the combined spectral line energy distributions and show that the PDR models that best fit the low-J CO emission underpredict the mid-J CO emission by orders of magnitude, strongly hinting at a hot gas component within these clumps. The low-J CO data clearly show that the integrated intensities of both the CO J = 8 \\to 7 and 9 \\to 8 lines are anomalously high, such that the line ratio can be used to characterize the hot gas component. Shock models are reasonably consistent with the observed mid-J CO emission, with models with densities near {10}4.5 cm-3 providing the best agreement. Where this mid-J CO is detected, the mean volume filling factor of the hot gas is 0.1%. Much of the observed mid-J CO emission, however, is also associated with known protostars and may be due to protostellar feedback.

Parameterizing sorption isotherms using a hybrid global-local fitting procedure.

PubMed

Matott, L Shawn; Singh, Anshuman; Rabideau, Alan J

2017-05-01

Predictive modeling of the transport and remediation of groundwater contaminants requires an accurate description of the sorption process, which is usually provided by fitting an isotherm model to site-specific laboratory data. Commonly used calibration procedures, listed in order of increasing sophistication, include: trial-and-error, linearization, non-linear regression, global search, and hybrid global-local search. Given the considerable variability in fitting procedures applied in published isotherm studies, we investigated the importance of algorithm selection through a series of numerical experiments involving 13 previously published sorption datasets. These datasets, considered representative of state-of-the-art for isotherm experiments, had been previously analyzed using trial-and-error, linearization, or non-linear regression methods. The isotherm expressions were re-fit using a 3-stage hybrid global-local search procedure (i.e. global search using particle swarm optimization followed by Powell's derivative free local search method and Gauss-Marquardt-Levenberg non-linear regression). The re-fitted expressions were then compared to previously published fits in terms of the optimized weighted sum of squared residuals (WSSR) fitness function, the final estimated parameters, and the influence on contaminant transport predictions - where easily computed concentration-dependent contaminant retardation factors served as a surrogate measure of likely transport behavior. Results suggest that many of the previously published calibrated isotherm parameter sets were local minima. In some cases, the updated hybrid global-local search yielded order-of-magnitude reductions in the fitness function. In particular, of the candidate isotherms, the Polanyi-type models were most likely to benefit from the use of the hybrid fitting procedure. In some cases, improvements in fitness function were associated with slight (<10%) changes in parameter values, but in other cases significant (>50%) changes in parameter values were noted. Despite these differences, the influence of isotherm misspecification on contaminant transport predictions was quite variable and difficult to predict from inspection of the isotherms. Copyright © 2017 Elsevier B.V. All rights reserved.

Extreme ultraviolet observations of G191-B2B and the local interstellar medium with the Hopkins Ultraviolet Telescope

NASA Technical Reports Server (NTRS)

Kimble, Randy A.; Davidsen, Arthur F.; Blair, William P.; Bowers, Charles W.; Van Dyke Dixon, W.; Durrance, Samuel T.; Feldman, Paul D.; Ferguson, Henry C.; Henry, Richard C.; Kriss, Gerard A.

1993-01-01

During the Astro-l mission in 1990 December, the Hopkins Ultraviolet Telescope (HUT) was used to observe the extreme ultraviolet spectrum (415-912 A) of the hot DA white dwarf GI91-B2B. Absorption by neutral helium shortward of the 504 A He I absorption edge is clearly detected in the raw spectrum. Model fits to the observed spectrum require interstellar neutral helium and neutral hydrogen column densities of 1.45 +/- 0.065 x 10 exp 17/sq cm and 1.69 +/- 0.12 x 10 exp 18/sq cm, respectively. Comparison of the neutral columns yields a direct assessment of the ionization state of the local interstellar cloud surrounding the Sun. The neutral hydrogen to helium ratio of 11.6 +/- 1.0 observed by HUT strongly contradicts the widespread view that hydrogen is much more ionized than helium in the local interstellar medium, a view which has motivated some exotic theoretical explanations for the supposed high ionization.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saudari, Sangameshwar R.; Kagan, Cherie R.; Department of Electrical and Systems Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104

Solution-processed, ambipolar, thin-film pentacene field-effect transistors were employed to study both electron and hole transport simultaneously in a single, organic solid-state device. Electron and hole mobilities were extracted from the respective unipolar saturation regimes and show thermally activated behavior and gate voltage dependence. We fit the gate voltage dependent saturation mobility to a power law to extract the characteristic Meyer-Neldel (MN) energy, a measure of the width of the exponential distribution of localized states extending into the energy gap of the organic semiconductor. The MN energy is ∼78 and ∼28 meV for electrons and holes, respectively, which reflects a greater densitymore » of localized tail states for electrons than holes. This is consistent with the lower measured electron than hole mobility. For holes, the well-behaved linear regime allows for four-point probe measurement of the contact resistance independent mobility and separate characterization of the width of the localized density of states, yielding a consistent MN energy of 28 meV.« less

Measuring the local mobility of graphene on semiconductors

NASA Astrophysics Data System (ADS)

Zhong, Haijian; Liu, Zhenghui; Wang, Jianfeng; Pan, Anlian; Xu, Gengzhao; Xu, Ke

2018-04-01

Mobility is an important parameter to gauge the performance of graphene devices, which is usually measured by FET or Hall methods relying on the use of insulating substrates. However, these methods are not applicable for the case of graphene on semiconductors, because some current will inevitably cross their junctions and flow through the semiconductors except directly traversing the graphene surface. Here we demonstrate a method for measuring the local mobility of graphene on gallium nitrides combining Kelvin probe force microscopy (KPFM) and conductive atomic force microscopy (C-AFM). The carrier density related to Fermi level shifts in graphene can be acquired from KPFM. The local mobility of graphene is calculated from the carrier mean free path available from the effective contact area, which can be fitted from the local I-V curves in graphene/GaN junctions by C-AFM. Our method can be used to investigate an arbitrary region in graphene and also be applied to other semiconductor substrates and do not introduce damages. These results will benefit recent topical application researches for graphene integration in various semiconductor devices.

Incremental social learning in particle swarms.

PubMed

de Oca, Marco A Montes; Stutzle, Thomas; Van den Enden, Ken; Dorigo, Marco

2011-04-01

Incremental social learning (ISL) was proposed as a way to improve the scalability of systems composed of multiple learning agents. In this paper, we show that ISL can be very useful to improve the performance of population-based optimization algorithms. Our study focuses on two particle swarm optimization (PSO) algorithms: a) the incremental particle swarm optimizer (IPSO), which is a PSO algorithm with a growing population size in which the initial position of new particles is biased toward the best-so-far solution, and b) the incremental particle swarm optimizer with local search (IPSOLS), in which solutions are further improved through a local search procedure. We first derive analytically the probability density function induced by the proposed initialization rule applied to new particles. Then, we compare the performance of IPSO and IPSOLS on a set of benchmark functions with that of other PSO algorithms (with and without local search) and a random restart local search algorithm. Finally, we measure the benefits of using incremental social learning on PSO algorithms by running IPSO and IPSOLS on problems with different fitness distance correlations.

A spatially explicit approach to the study of socio-demographic inequality in the spatial distribution of trees across Boston neighborhoods.

PubMed

Duncan, Dustin T; Kawachi, Ichiro; Kum, Susan; Aldstadt, Jared; Piras, Gianfranco; Matthews, Stephen A; Arbia, Giuseppe; Castro, Marcia C; White, Kellee; Williams, David R

2014-04-01

The racial/ethnic and income composition of neighborhoods often influences local amenities, including the potential spatial distribution of trees, which are important for population health and community wellbeing, particularly in urban areas. This ecological study used spatial analytical methods to assess the relationship between neighborhood socio-demographic characteristics (i.e. minority racial/ethnic composition and poverty) and tree density at the census tact level in Boston, Massachusetts (US). We examined spatial autocorrelation with the Global Moran's I for all study variables and in the ordinary least squares (OLS) regression residuals as well as computed Spearman correlations non-adjusted and adjusted for spatial autocorrelation between socio-demographic characteristics and tree density. Next, we fit traditional regressions (i.e. OLS regression models) and spatial regressions (i.e. spatial simultaneous autoregressive models), as appropriate. We found significant positive spatial autocorrelation for all neighborhood socio-demographic characteristics (Global Moran's I range from 0.24 to 0.86, all P =0.001), for tree density (Global Moran's I =0.452, P =0.001), and in the OLS regression residuals (Global Moran's I range from 0.32 to 0.38, all P <0.001). Therefore, we fit the spatial simultaneous autoregressive models. There was a negative correlation between neighborhood percent non-Hispanic Black and tree density (r S =-0.19; conventional P -value=0.016; spatially adjusted P -value=0.299) as well as a negative correlation between predominantly non-Hispanic Black (over 60% Black) neighborhoods and tree density (r S =-0.18; conventional P -value=0.019; spatially adjusted P -value=0.180). While the conventional OLS regression model found a marginally significant inverse relationship between Black neighborhoods and tree density, we found no statistically significant relationship between neighborhood socio-demographic composition and tree density in the spatial regression models. Methodologically, our study suggests the need to take into account spatial autocorrelation as findings/conclusions can change when the spatial autocorrelation is ignored. Substantively, our findings suggest no need for policy intervention vis-à-vis trees in Boston, though we hasten to add that replication studies, and more nuanced data on tree quality, age and diversity are needed.

SU-E-I-25: Quantification of Coronary Artery Cross-Sectional Area in CT Angiography Using Integrated Density: A Simulation Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, T; Ding, H; Lipinski, J

2015-06-15

Purpose: To develop a physics-based model for accurate quantification of the cross-sectional area (CSA) of coronary arteries in CT angiography by measuring the integrated density to account for the partial volume effect. Methods: In this technique the integrated density of the object as compared with its local background is measured to account for the partial volume effect. Normal vessels were simulated as circles with diameters in the range of 0.1–3mm. Diseased vessels were simulated as 2, 3, and 4mm diameter vessels with 10–90% area stenosis, created by inserting circular plaques. A simplified two material model was used with the lumenmore » as 8mg/ml Iodine and background as lipid. The contrast-to-noise ratio between lumen and background was approximately 26. Linear fits to the known CSA were calculated. The precision and accuracy of the measurement were quantified using the root-mean-square fit deviations (RMSD) and errors to the known CSA (RMSE). Results compared to manual segmentation of the vessel lumen. To assess the impact of random variations, coefficients of variation (CV) from 10 simulations for each vessel were computed to determine reliability. Measurements with CVs less than 10% were considered reliable. Results: For normal vessels, the precision and accuracy of the integrated density technique were 0.12mm{sup 2} and 0.28mm{sup 2}, respectively. The corresponding results for manual segmentation were 0.27mm{sup 2} and 0.43mm{sup 2}. For diseased vessels, the precision and accuracy of the integrated density technique were 0.14mm{sup 2} and 0.19mm{sup 2}. Corresponding results for manual segmentation were 0.42mm{sup 2} and 0.71mm{sup 2}. Reliable CSAs were obtained for normal vessels with diameters larger than 1 mm and for diseased vessels with area as low as 1.26mm2. Conclusion: The CSA based on integrated density showed improved precision and accuracy as compared with manual segmentation in simulation. These results indicate the potential of using integrated density to quantify CSA of coronary arteries in CT angiography.« less

Association of ACTN3 polymorphisms with BMD, and physical fitness of elderly women.

PubMed

Min, Seok-Ki; Lim, Seung-Taek; Kim, Chang-Sun

2016-10-01

[Purpose] Association of ACTN3 polymorphism with bone mineral density and the physical fitness of elderly women is still unclear. Therefore, this study investigated the association between ACTN3 genotype and bone mineral density, and the physical fitness of elderly women. [Subjects and Methods] Sixty-eight elderly women (67.38 ± 3.68 years) were recruited at a Seongbuk-Gu (Seoul, Korea) Medical Service Public Health Center. Measurements of physical fitness included muscle strength, muscle endurance, flexibility, agility, balance and VO 2 max. Bone mineral density (BMD), upper limb muscle mass, lower limb muscle mass, percent body fat and body fat mass for the entire body were measured by dual-energy X-ray absorptiometry and an analyzer. Genotyping for the ACTN3 R577X (rs1815739) polymorphism was performed using the TaqMan approach. [Results] ACTN3 gene distribution of subjects were in the Hardy-Weinberg equilibrium (p=0.694). The relative bone mineral density trunk, pelvis and spine differed significantly among the ACTN3 genotypes. There were no significant differences among bone mineral densities of the head, arms, legs, ribs and total, but the RR genotype tended to be higher than other genotypes. Physical fitness was not significantly different among the ACTN3 genotypes. [Conclusion] These results suggest that ACTN3 gene polymorphisms could be used as one of the genetic determinants of bone mass in elderly women, and in particular, they indicate that individuals with the RR genotype have higher BMD and bone mineral composition.

Carbon diffusion in molten uranium: an ab initio molecular dynamics study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garrett, Kerry E.; Abrecht, David G.; Kessler, Sean H.

In this work we used ab initio molecular dynamics (AIMD) within the framework of density functional theory (DFT) and the projector-augmented wave (PAW) method to study carbon diffusion in liquid uranium at temperatures above 1600 K. The electronic interactions of carbon and uranium were described using the local density approximation (LDA). The self-diffusion of uranium based on this approach is compared with literature computational and experimental results for liquid uranium. The temperature dependence of carbon and uranium diffusion in the melt was evaluated by fitting the resulting diffusion coefficients to an Arrhenius relationship. We found that the LDA calculated activationmore » energy for carbon was nearly twice that of uranium: 0.55±0.03 eV for carbon compared to 0.32±0.04 eV for uranium. Structural analysis of the liquid uranium-carbon system is also discussed.« less

Effects of substitution on the exchange stiffness and magnetization of Co films

NASA Astrophysics Data System (ADS)

Eyrich, C.; Zamani, A.; Huttema, W.; Arora, M.; Harrison, D.; Rashidi, F.; Broun, D.; Heinrich, B.; Mryasov, O.; Ahlberg, M.; Karis, O.; Jönsson, P. E.; From, M.; Zhu, X.; Girt, E.

2014-12-01

An antiferromagnetically coupled FM/NM/FM (FM = ferromagnet, NM = normal metal) trilayer structure responds to an external magnetic field by the formation of a magnetic-moment spring within the FM layers. We show that the exchange stiffness (Aex) of an FM layer can be determined by fitting the field-dependent magnetization, M (H ) , of the FM/NM/FM trilayer to a micromagnetic model. Using this method, we have measured the exchange stiffness of thin-film Co alloyed with Cr, Fe, Ni, Pd, Pt, and Ru. The results show that the rate at which a substituent element reduces the exchange stiffness is not directly related to its effect on the magnetization of the alloy. The observed trends have been understood by material-specific modeling based on density functional theory within the local density approximation. The stiffness measurements are in agreement with Brillouin light scattering carried out on thicker Co films.

Fitness declines towards range limits and local adaptation to climate affect dispersal evolution during climate-induced range shifts.

PubMed

Hargreaves, A L; Bailey, S F; Laird, R A

2015-08-01

Dispersal ability will largely determine whether species track their climatic niches during climate change, a process especially important for populations at contracting (low-latitude/low-elevation) range limits that otherwise risk extinction. We investigate whether dispersal evolution at contracting range limits is facilitated by two processes that potentially enable edge populations to experience and adjust to the effects of climate deterioration before they cause extinction: (i) climate-induced fitness declines towards range limits and (ii) local adaptation to a shifting climate gradient. We simulate a species distributed continuously along a temperature gradient using a spatially explicit, individual-based model. We compare range-wide dispersal evolution during climate stability vs. directional climate change, with uniform fitness vs. fitness that declines towards range limits (RLs), and for a single climate genotype vs. multiple genotypes locally adapted to temperature. During climate stability, dispersal decreased towards RLs when fitness was uniform, but increased when fitness declined towards RLs, due to highly dispersive genotypes maintaining sink populations at RLs, increased kin selection in smaller populations, and an emergent fitness asymmetry that favoured dispersal in low-quality habitat. However, this initial dispersal advantage at low-fitness RLs did not facilitate climate tracking, as it was outweighed by an increased probability of extinction. Locally adapted genotypes benefited from staying close to their climate optima; this selected against dispersal under stable climates but for increased dispersal throughout shifting ranges, compared to cases without local adaptation. Dispersal increased at expanding RLs in most scenarios, but only increased at the range centre and contracting RLs given local adaptation to climate. © 2015 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2015 European Society For Evolutionary Biology.

Profiling the Local Seebeck Coefficient of InAs-GaAs Quantum Dots Using Scanning Thermoelectric Microscopy

NASA Astrophysics Data System (ADS)

Lin, Yen-Hsiang; Walrath, Jenna; Huang, Simon; Goldman, Rachel

2014-03-01

Thermoelectric (TE) devices offer a method of recovering waste heat through solid state conversion of heat to electricity. However, the typical efficiencies of TE devices are 5-10% which constitutes a barrier to wide spread use. There have recently been a number of reports of an increase in the bulk thermopower due to nanostructuring. In addition to our recent report of enhanced thermopower for GaAs embedded with indium nanocrystals, a theoretical study by Mahan and Sofo suggested that the best thermoelectric materials have a delta function density of states. Quantum dots fit ideally into such a picture. To date, the influence of nanostructuring on the electronic LDOS and thermopower has been studied using spatially averaged measurements; a nanoscale investigation of the effects of nanostructures on thermopower has yet to be presented. To investigate the link between dimensionality and TE properties, we are examining structures ranging from QDs to bulk-like layers, comparing SThEM measurements of the local Seebeck coefficient, S, with STS measurements of the local density of states (LDOS). STM, STS, and SThEM performed on InAs quantum dots (QDs) grown on GaAs. SThEM reveals enhanced S-values near the QD edge; STS reveals band-bending at the QD/GaAs interface, suggesting that the S enhancement is due to interfacial charge accumulation.

Quantum transport in topological semimetals under magnetic fields

NASA Astrophysics Data System (ADS)

Lu, Hai-Zhou; Shen, Shun-Qing

2017-06-01

Topological semimetals are three-dimensional topological states of matter, in which the conduction and valence bands touch at a finite number of points, i.e., the Weyl nodes. Topological semimetals host paired monopoles and antimonopoles of Berry curvature at the Weyl nodes and topologically protected Fermi arcs at certain surfaces. We review our recent works on quantum transport in topological semimetals, according to the strength of the magnetic field. At weak magnetic fields, there are competitions between the positive magnetoresistivity induced by the weak anti-localization effect and negative magnetoresistivity related to the nontrivial Berry curvature. We propose a fitting formula for the magnetoconductivity of the weak anti-localization. We expect that the weak localization may be induced by inter-valley effects and interaction effect, and occur in double-Weyl semimetals. For the negative magnetoresistance induced by the nontrivial Berry curvature in topological semimetals, we show the dependence of the negative magnetoresistance on the carrier density. At strong magnetic fields, specifically, in the quantum limit, the magnetoconductivity depends on the type and range of the scattering potential of disorder. The high-field positive magnetoconductivity may not be a compelling signature of the chiral anomaly. For long-range Gaussian scattering potential and half filling, the magnetoconductivity can be linear in the quantum limit. A minimal conductivity is found at the Weyl nodes although the density of states vanishes there.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calcino, Josh; Davis, Tamara, E-mail: j.calcino@uq.edu.au, E-mail: tamarad@physics.uq.edu.au

Recent papers have shown that a small systematic redshift shift (Δ z ∼ 10{sup −5}) in measurements of type Ia supernovae can cause a significant bias (∼1%) in the recovery of cosmological parameters. Such a redshift shift could be caused, for example, by a gravitational redshift due to the density of our local environment. The sensitivity of supernova data to redshift shifts means supernovae make excellent probes of inhomogeneities. We therefore invert the analysis, and try to diagnose the nature of our local gravitational environment by fitting for Δ z as an extra free parameter alongside the usual cosmological parameters.more » Using the Joint Light-curve SN Ia dataset we find the best fit includes a systematic redshift shift of Δ z = (2.6{sup +2.7}{sub −2.8}) × 10{sup −4}. This is a larger shift than would be expected due to gravitational redshifts in a standard Λ-Cold Dark Matter universe (though still consistent with zero), and would correspond to a monopole Doppler shift of about 100 km s{sup −1} moving away from the Milky-Way. However, since most supernova measurements are made to a redshift precision of no better than 10{sup −3}, it is possible that a systematic error smaller than the statistical error remains in the data and is responsible for the shift; or that it is an insignificant statistical fluctuation. We find that when Δ z is included as a free parameter while fitting to the JLA SN Ia data, the constraints on the matter density shifts to Ω {sub m} = 0.313{sup +0.042}{sub −0.040}, bringing it into better agreement with the CMB cosmological parameter constraints from Planck. A positive Δ z ∼ 2.6×10{sup −4} would also cause us to overestimate the supernova measurement of Hubble's constant by Δ H {sub 0} ∼ 1 kms{sup −1}Mpc{sup −1}. However this overestimation should diminish as one increases the low-redshift cutoff, and this is not seen in the most recent data.« less

Brain MRI Tumor Detection using Active Contour Model and Local Image Fitting Energy

NASA Astrophysics Data System (ADS)

Nabizadeh, Nooshin; John, Nigel

2014-03-01

Automatic abnormality detection in Magnetic Resonance Imaging (MRI) is an important issue in many diagnostic and therapeutic applications. Here an automatic brain tumor detection method is introduced that uses T1-weighted images and K. Zhang et. al.'s active contour model driven by local image fitting (LIF) energy. Local image fitting energy obtains the local image information, which enables the algorithm to segment images with intensity inhomogeneities. Advantage of this method is that the LIF energy functional has less computational complexity than the local binary fitting (LBF) energy functional; moreover, it maintains the sub-pixel accuracy and boundary regularization properties. In Zhang's algorithm, a new level set method based on Gaussian filtering is used to implement the variational formulation, which is not only vigorous to prevent the energy functional from being trapped into local minimum, but also effective in keeping the level set function regular. Experiments show that the proposed method achieves high accuracy brain tumor segmentation results.

Understanding the scatter in the spatially resolved star formation main sequence of local massive spiral galaxies

NASA Astrophysics Data System (ADS)

Abdurro'uf; Akiyama, Masayuki

2017-08-01

We investigate the relation between star formation rate (SFR) and stellar mass (M*) at the sub-galactic scale (˜1 kpc) of 93 local (0.01 < z < 0.02) massive (M* > 1010.5 M⊙) spiral galaxies. To derive a spatially resolved SFR and stellar mass, we perform the so-called pixel-to-pixel spectral energy distribution (SED) fitting, which fits an observed spatially resolved multiband SED with a library of model SEDs using Bayesian statistics. We use two bands (far-ultraviolet or FUV and near-ultraviolet or NUV) and five bands (u, g, r, I and z) of imaging data from Galaxy Evolution Explorer (GALEX) and Sloan Digital Sky Survey (SDSS), respectively. We find a tight nearly linear relation between the local surface density of SFR (ΣSFR) and stellar mass (Σ*), which is flattened at high Σ*. The near linear relation between Σ* and ΣSFR suggests a constant specific SFR (sSFR) throughout the galaxies, and the scatter of the relation is directly related to that of the sSFR. Therefore, we analyse the variation of the sSFR in various scales. More massive galaxies on average have lower sSFR throughout them than less massive galaxies. We also find that barred galaxies have a lower sSFR in the core region than non-barred galaxies. However, in the outer region, the sSFRs of barred and non-barred galaxies are similar and lead to a similar total sSFR.

Transport and magnetic properties of dilute rare-earth-PbSe alloys

NASA Astrophysics Data System (ADS)

Jovovic, V.; Joottu-Thiagarajan, S.; West, J.; Heremans, J. P.; Story, T.; Golacki, Z.; Paszkowicz, W.; Osinniy, V.

2007-03-01

An increase in the density of states is predicted [1] to increase the thermoelectric (TE) figure of merit, and could be induced by doping TE materials with rare-earth elements. This was attempted here: the galvanomagnetic and thermomagnetic properties of dilute alloys of PbSe and Ce, Pr, Nd, Eu, Gd and Yb were measured from 80 to 380K; magnetic susceptibilities were measured from 4 to 120K. The density of states effective mass, the relaxation time, and the carrier density and mobility are calculated from measurements of the electrical conductivity and the Hall, Seebeck and transverse Nernst-Ettingshausen coefficients. The Eu, Gd, Nd and Yb-alloyed samples are paramagnetic; the concentrations of rare-earth atoms are determined from fitting a Curie-Weiss law. The magnetic behavior of the Ce and Pr-alloyed samples is different. Ce, Pr, Nd, Gd and Yb act as donors with efficiencies that will be reported. Alloying with divalent Eu does not affect carrier density but increases the energy gap. This work suggests that the 4f orbitals preserve their atomic-like localized character and exhibit only weak sp-f hybridization. 1 G. D. Mahan and J. O. Sofo, Proc. Natl. Acad. Sci. USA 93 7436 (1996)

IMFIT: A FAST, FLEXIBLE NEW PROGRAM FOR ASTRONOMICAL IMAGE FITTING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Erwin, Peter; Universitäts-Sternwarte München, Scheinerstrasse 1, D-81679 München

2015-02-01

I describe a new, open-source astronomical image-fitting program called IMFIT, specialized for galaxies but potentially useful for other sources, which is fast, flexible, and highly extensible. A key characteristic of the program is an object-oriented design that allows new types of image components (two-dimensional surface-brightness functions) to be easily written and added to the program. Image functions provided with IMFIT include the usual suspects for galaxy decompositions (Sérsic, exponential, Gaussian), along with Core-Sérsic and broken-exponential profiles, elliptical rings, and three components that perform line-of-sight integration through three-dimensional luminosity-density models of disks and rings seen at arbitrary inclinations. Available minimization algorithmsmore » include Levenberg-Marquardt, Nelder-Mead simplex, and Differential Evolution, allowing trade-offs between speed and decreased sensitivity to local minima in the fit landscape. Minimization can be done using the standard χ{sup 2} statistic (using either data or model values to estimate per-pixel Gaussian errors, or else user-supplied error images) or Poisson-based maximum-likelihood statistics; the latter approach is particularly appropriate for cases of Poisson data in the low-count regime. I show that fitting low-signal-to-noise ratio galaxy images using χ{sup 2} minimization and individual-pixel Gaussian uncertainties can lead to significant biases in fitted parameter values, which are avoided if a Poisson-based statistic is used; this is true even when Gaussian read noise is present.« less

Low-memory iterative density fitting.

PubMed

Grajciar, Lukáš

2015-07-30

A new low-memory modification of the density fitting approximation based on a combination of a continuous fast multipole method (CFMM) and a preconditioned conjugate gradient solver is presented. Iterative conjugate gradient solver uses preconditioners formed from blocks of the Coulomb metric matrix that decrease the number of iterations needed for convergence by up to one order of magnitude. The matrix-vector products needed within the iterative algorithm are calculated using CFMM, which evaluates them with the linear scaling memory requirements only. Compared with the standard density fitting implementation, up to 15-fold reduction of the memory requirements is achieved for the most efficient preconditioner at a cost of only 25% increase in computational time. The potential of the method is demonstrated by performing density functional theory calculations for zeolite fragment with 2592 atoms and 121,248 auxiliary basis functions on a single 12-core CPU workstation. © 2015 Wiley Periodicals, Inc.

Plasma distributions in meteor head echoes and implications for radar cross section interpretation

NASA Astrophysics Data System (ADS)

Marshall, Robert A.; Brown, Peter; Close, Sigrid

2017-09-01

The derivation of meteoroid masses from radar measurements requires conversion of the measured radar cross section (RCS) to meteoroid mass. Typically, this conversion passes first through an estimate of the meteor plasma density derived from the RCS. However, the conversion from RCS to meteor plasma density requires assumptions on the radial electron density distribution. We use simultaneous triple-frequency measurements of the RCS for 63 large meteor head echoes to derive estimates of the meteor plasma size and density using five different possible radial electron density distributions. By fitting these distributions to the observed meteor RCS values and estimating the goodness-of-fit, we determine that the best fit to the data is a 1 /r2 plasma distribution, i.e. the electron density decays as 1 /r2 from the center of the meteor plasma. Next, we use the derived plasma distributions to estimate the electron line density q for each meteor using each of the five distributions. We show that depending on the choice of distribution, the line density can vary by a factor of three or more. We thus argue that a best estimate for the radial plasma distribution in a meteor head echo is necessary in order to have any confidence in derived meteoroid masses.

Testing the nonlocal kinetic energy functional of an inhomogeneous, two-dimensional degenerate Fermi gas within the average density approximation

NASA Astrophysics Data System (ADS)

Towers, J.; van Zyl, B. P.; Kirkby, W.

2015-08-01

In a recent paper [B. P. van Zyl et al., Phys. Rev. A 89, 022503 (2014), 10.1103/PhysRevA.89.022503], the average density approximation (ADA) was implemented to develop a parameter-free, nonlocal kinetic energy functional to be used in the orbital-free density functional theory of an inhomogeneous, two-dimensional (2D) Fermi gas. In this work, we provide a detailed comparison of self-consistent calculations within the ADA with the exact results of the Kohn-Sham density functional theory and the elementary Thomas-Fermi (TF) approximation. We demonstrate that the ADA for the 2D kinetic energy functional works very well under a wide variety of confinement potentials, even for relatively small particle numbers. Remarkably, the TF approximation for the kinetic energy functional, without any gradient corrections, also yields good agreement with the exact kinetic energy for all confining potentials considered, although at the expense of the spatial and kinetic energy densities exhibiting poor pointwise agreement, particularly near the TF radius. Our findings illustrate that the ADA kinetic energy functional yields accurate results for both the local and global equilibrium properties of an inhomogeneous 2D Fermi gas, without the need for any fitting parameters.

Yip - Development and Application of a High-Speed Three-Dimensional Density Measurement Technique for Aero-Optic Applications

DTIC Science & Technology

2011-03-25

mixing between two streams of different temperature/density. In addition, there are also regions of high density and high pressure in the braid region...acetone seeding in this work was as follows. A small pressure vessel was filled with liquid acetone and pressurized using a nitrogen tank. An EPDM hose ...through the EPDM hose , out of the pressure vessel, and ultimately through a wall fitting. This wall fitting was connected through the wall of the

Exercise Effects on Fitness and Bone Mineral Density in Early Postmenopausal Women: 1-Year EFOPS Results.

ERIC Educational Resources Information Center

Kemmler, Wolfgang; Engelke, Klaus; Lauber, Dirk; Weineck, Juergen; Hensen, Johannes; Kalender, Willi A.

2002-01-01

Investigated the effect of intense exercise training on physical fitness, coronary heart disease, bone mineral density (BMD), and parameters related to quality of life in early postmenopausal women with osteopenia. Data on woman in control and exercise training groups indicated that the intense exercise training program was effective in improving…

Physicochemical properties and ion-solvent interactions in aqueous sodium, ammonium, and lead acetate solution

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Mendkudle, M. S.

2014-09-01

Densities (ρ), viscosities (η) and refractive indices ( n D) of aqueous sodium acetate (SA), ammonium acetate (AA), and lead acetate (LA) solutions have been measured for different concentrations of salts at 302.15 K. Apparent molar volumes (φv) for studied solutions were calculated from density data, and fitted to Masson's relation and partial molar volume (φ{v/o}) was determined. Viscosity data were fitted to Jones-Dole equation and viscosity A- and B-coefficients were determined. Refractive index and density data were fitted to Lorentz and Lorenz equation and specific refraction ( R D) were calculated. Behavior of various physicochemical properties indicated presence of strong ion-solvent interactions in present systems and the acetate salts structure maker in water.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hou Fengji; Hogg, David W.; Goodman, Jonathan

Markov chain Monte Carlo (MCMC) proves to be powerful for Bayesian inference and in particular for exoplanet radial velocity fitting because MCMC provides more statistical information and makes better use of data than common approaches like chi-square fitting. However, the nonlinear density functions encountered in these problems can make MCMC time-consuming. In this paper, we apply an ensemble sampler respecting affine invariance to orbital parameter extraction from radial velocity data. This new sampler has only one free parameter, and does not require much tuning for good performance, which is important for automatization. The autocorrelation time of this sampler is approximatelymore » the same for all parameters and far smaller than Metropolis-Hastings, which means it requires many fewer function calls to produce the same number of independent samples. The affine-invariant sampler speeds up MCMC by hundreds of times compared with Metropolis-Hastings in the same computing situation. This novel sampler would be ideal for projects involving large data sets such as statistical investigations of planet distribution. The biggest obstacle to ensemble samplers is the existence of multiple local optima; we present a clustering technique to deal with local optima by clustering based on the likelihood of the walkers in the ensemble. We demonstrate the effectiveness of the sampler on real radial velocity data.« less

Spectrum synthesis of the Type Ia supernovae SN 1992A and SN 1981B

NASA Technical Reports Server (NTRS)

Nugent, Peter; Baron, E.; Hauschildt, Peter H.; Branch, David

1995-01-01

We present non-local thermodynamic equilibrium (non-LTE) synthetic spectra for the Type Ia supernovae SN 1992A and SN 1981B, near maximum light. At this epoch both supernovae were observed from the UV through the optical. This wide spectral coverage is essential for determining the density structure of a SN Ia. Our fits are in good agreement with observation and provide some insight as to the differences between these supernovae. We also discuss the application of the expanding photosphere method to SNe Ia which gives a distance that is independent of those based on the decay of Ni-56 and Cepheid variable stars.

Three-Dimensional Morphology of a Coronal Prominence Cavity

NASA Technical Reports Server (NTRS)

Gibson, S. E.; Kucera, T. A.; Rastawicki, D.; Dove, J.; deToma, G.; Hao, J.; Hill, S.; Hudson, H. S.; Marque, C.; McIntosh, P. S.;

Effects of Habitual Physical Activity and Fitness on Tibial Cortical Bone Mass, Structure and Mass Distribution in Pre-pubertal Boys and Girls: The Look Study.

PubMed

Duckham, Rachel L; Rantalainen, Timo; Ducher, Gaele; Hill, Briony; Telford, Richard D; Telford, Rohan M; Daly, Robin M

2016-07-01

Targeted weight-bearing activities during the pre-pubertal years can improve cortical bone mass, structure and distribution, but less is known about the influence of habitual physical activity (PA) and fitness. This study examined the effects of contrasting habitual PA and fitness levels on cortical bone density, geometry and mass distribution in pre-pubertal children. Boys (n = 241) and girls (n = 245) aged 7-9 years had a pQCT scan to measure tibial mid-shaft total, cortical and medullary area, cortical thickness, density, polar strength strain index (SSIpolar) and the mass/density distribution through the bone cortex (radial distribution divided into endo-, mid- and pericortical regions) and around the centre of mass (polar distribution). Four contrasting PA and fitness groups (inactive-unfit, inactive-fit, active-unfit, active-fit) were generated based on daily step counts (pedometer, 7-days) and fitness levels (20-m shuttle test and vertical jump) for boys and girls separately. Active-fit boys had 7.3-7.7 % greater cortical area and thickness compared to inactive-unfit boys (P < 0.05), which was largely due to a 6.4-7.8 % (P < 0.05) greater cortical mass in the posterior-lateral, medial and posterior-medial 66 % tibial regions. Cortical area was not significantly different across PA-fitness categories in girls, but active-fit girls had 6.1 % (P < 0.05) greater SSIpolar compared to inactive-fit girls, which was likely due to their 6.7 % (P < 0.05) greater total bone area. There was also a small region-specific cortical mass benefit in the posterior-medial 66 % tibia cortex in active-fit girls. Higher levels of habitual PA-fitness were associated with small regional-specific gains in 66 % tibial cortical bone mass in pre-pubertal children, particularly boys.

Virulence correlates with fitness in vivo for two M group genotypes of Infectious hematopoietic necrosis virus (IHNV).

USGS Publications Warehouse

Wargo, Andrew R.; Garver, Kyle A.; Kurath, Gael

2010-01-01

The nature of the association between viral fitness and virulence remains elusive in vertebrate virus systems, partly due to a lack of in vivo experiments using statistically sufficient numbers of replicate hosts. We examined the relationship between virulence and fitness in Infectious hematopoietic necrosis virus (IHNV), in vivo, in intact living rainbow trout. Trout were infected with a high or low virulence genotype of M genogroup IHNV, or a mixture of the two genotypes, so as to calculate relative fitness and the effect of a competition environment on fitness. Fitness was measured as total viral load in the host at time of peak viral density, quantified by genotype-specific quantitative RT-PCR (qRT-PCR). The more virulent IHNV genotype reached higher densities in both single and mixed infections. There was no effect of competition on the performance of either genotype. Our results suggest a positive link between IHNV genotype fitness and virulence.

The Importance of Tree Size and Fecundity for Wind Dispersal of Big-Leaf Mahogany

PubMed Central

Norghauer, Julian M.; Nock, Charles A.; Grogan, James

2011-01-01

Seed dispersal by wind is a critical yet poorly understood process in tropical forest trees. How tree size and fecundity affect this process at the population level remains largely unknown because of insufficient replication across adults. We measured seed dispersal by the endangered neotropical timber species big-leaf mahogany (Swietenia macrophylla King, Meliaceae) in the Brazilian Amazon at 25 relatively isolated trees using multiple 1-m wide belt transects extended 100 m downwind. Tree diameter and fecundity correlated positively with increased seed shadow extent; but in combination large, high fecundity trees contributed disproportionately to longer-distance dispersal events (>60 m). Among three empirical models fitted to seed density vs. distance in one dimension, the Student-t (2Dt) generally fit best (compared to the negative exponential and inverse power). When seedfall downwind was modelled in two dimensions using a normalised sample, it peaked furthest downwind (c. 25 m) for large, high-fecundity trees; with the inverse Gaussian and Weibull functions providing comparable fits that were slightly better than the lognormal. Although most seeds fell within 30 m of parent trees, relatively few juveniles were found within this distance, resulting in juvenile-to-seed ratios peaking at c. 35–45 m. Using the 2Dt model fits to predict seed densities downwind, coupled with known fecundity data for 2000–2009, we evaluated potential Swietenia regeneration near adults (≤30 m dispersal) and beyond 30 m. Mean seed arrival into canopy gaps >30 m downwind was more than 3× greater for large, high fecundity trees than small, high-fecundity trees. Tree seed production did not necessarily scale up proportionately with diameter, and was not consistent across years, and this resulting intraspecific variation can have important consequences for local patterns of dispersal in forests. Our results have important implications for management and conservation of big-leaf mahogany populations, and may apply to other threatened wind-dispersed Meliaceae trees. PMID:21408184

Theoretical prediction of mutual influence between phospholipid and nanotube during their interaction

NASA Astrophysics Data System (ADS)

Glukhova, O. E.; Slepchenkov, M. M.

2016-03-01

Using hybrid quantum mechanics/molecular mechanics (QM/MM) model we carried out investigation of interaction between phospholipid and carbon nanotube during indentation of high density lipoprotein (HDL). The object of investigation is armchair carbon nanotube with various diameters range from 0.5 to 1 nm. In a coarse of molecular dynamics study it is found that phospholipid partially penetrate into the cavity of nanotube with the chirality (7,7) and diameter of 0.9 nm. However, the entire molecule does not fit into nanospace of tube (7,7), so part of the head and the second phospholipid tail remain outside the carbon nanostructures. Using semi-empirical PM6 method it is established that during the indentation process the charged structured molecule fragments forming the high-density lipoprotein create local electric field near carbon nanotube (CNT) and continuously change electronic structure of CNT. However, the tube is not destroyed because the fields do not exceed the critical values of strength. The redistribution of the electron density on atom is observed in each time point.

Marine mammal tracks from two-hydrophone acoustic recordings made with a glider

NASA Astrophysics Data System (ADS)

Küsel, Elizabeth T.; Munoz, Tessa; Siderius, Martin; Mellinger, David K.; Heimlich, Sara

2017-04-01

A multinational oceanographic and acoustic sea experiment was carried out in the summer of 2014 off the western coast of the island of Sardinia, Mediterranean Sea. During this experiment, an underwater glider fitted with two hydrophones was evaluated as a potential tool for marine mammal population density estimation studies. An acoustic recording system was also tested, comprising an inexpensive, off-the-shelf digital recorder installed inside the glider. Detection and classification of sounds produced by whales and dolphins, and sometimes tracking and localization, are inherent components of population density estimation from passive acoustics recordings. In this work we discuss the equipment used as well as analysis of the data obtained, including detection and estimation of bearing angles. A human analyst identified the presence of sperm whale (Physeter macrocephalus) regular clicks as well as dolphin clicks and whistles. Cross-correlating clicks recorded on both data channels allowed for the estimation of the direction (bearing) of clicks, and realization of animal tracks. Insights from this bearing tracking analysis can aid in population density estimation studies by providing further information (bearings), which can improve estimates.

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

NASA Astrophysics Data System (ADS)

Rivera-Rivera, Luis A.; Wagner, Albert F.; Sewell, Thomas D.; Thompson, Donald L.

2015-01-01

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is ˜100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit with the Lendvay-Schatz function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane "simultaneously" colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities.

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivera-Rivera, Luis A.; Wagner, Albert F.; Sewell, Thomas D.

2015-01-07

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is similar to 100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit withmore » the Lendvay-Schatz function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane "simultaneously" colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities. (C) 2015 AIP Publishing LLC.« less

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath.

PubMed

Rivera-Rivera, Luis A; Wagner, Albert F; Sewell, Thomas D; Thompson, Donald L

2015-01-07

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is ∼100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit with the Lendvay-Schatz function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane "simultaneously" colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities.

Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rivera-Rivera, Luis A.; Sewell, Thomas D.; Thompson, Donald L.

2015-01-07

Classical molecular dynamics simulations were performed to study the relaxation of nitromethane in an Ar bath (of 1000 atoms) at 300 K and pressures 10, 50, 75, 100, 125, 150, 300, and 400 atm. The molecule was instantaneously excited by statistically distributing 50 kcal/mol among the internal degrees of freedom. At each pressure, 1000 trajectories were integrated for 1000 ps, except for 10 atm, for which the integration time was 5000 ps. The computed ensemble-averaged rotational energy decay is ∼100 times faster than the vibrational energy decay. Both rotational and vibrational decay curves can be satisfactorily fit with the Lendvay-Schatzmore » function, which involves two parameters: one for the initial rate and one for the curvature of the decay curve. The decay curves for all pressures exhibit positive curvature implying the rate slows as the molecule loses energy. The initial rotational relaxation rate is directly proportional to density over the interval of simulated densities, but the initial vibrational relaxation rate decreases with increasing density relative to the extrapolation of the limiting low-pressure proportionality to density. The initial vibrational relaxation rate and curvature are fit as functions of density. For the initial vibrational relaxation rate, the functional form of the fit arises from a combinatorial model for the frequency of nitromethane “simultaneously” colliding with multiple Ar atoms. Roll-off of the initial rate from its low-density extrapolation occurs because the cross section for collision events with L Ar atoms increases with L more slowly than L times the cross section for collision events with one Ar atom. The resulting density-dependent functions of the initial rate and curvature represent, reasonably well, all the vibrational decay curves except at the lowest density for which the functions overestimate the rate of decay. The decay over all gas phase densities is predicted by extrapolating the fits to condensed-phase densities.« less

Association of ACTN3 polymorphisms with BMD, and physical fitness of elderly women

PubMed Central

Min, Seok-Ki; Lim, Seung-Taek; Kim, Chang-Sun

2016-01-01

[Purpose] Association of ACTN3 polymorphism with bone mineral density and the physical fitness of elderly women is still unclear. Therefore, this study investigated the association between ACTN3 genotype and bone mineral density, and the physical fitness of elderly women. [Subjects and Methods] Sixty-eight elderly women (67.38 ± 3.68 years) were recruited at a Seongbuk-Gu (Seoul, Korea) Medical Service Public Health Center. Measurements of physical fitness included muscle strength, muscle endurance, flexibility, agility, balance and VO2max. Bone mineral density (BMD), upper limb muscle mass, lower limb muscle mass, percent body fat and body fat mass for the entire body were measured by dual-energy X-ray absorptiometry and an analyzer. Genotyping for the ACTN3 R577X (rs1815739) polymorphism was performed using the TaqMan approach. [Results] ACTN3 gene distribution of subjects were in the Hardy-Weinberg equilibrium (p=0.694). The relative bone mineral density trunk, pelvis and spine differed significantly among the ACTN3 genotypes. There were no significant differences among bone mineral densities of the head, arms, legs, ribs and total, but the RR genotype tended to be higher than other genotypes. Physical fitness was not significantly different among the ACTN3 genotypes. [Conclusion] These results suggest that ACTN3 gene polymorphisms could be used as one of the genetic determinants of bone mass in elderly women, and in particular, they indicate that individuals with the RR genotype have higher BMD and bone mineral composition. PMID:27821924

Intraspecific competition facilitates the evolution of tolerance to insect damage in the perennial plant Solanum carolinense.

PubMed

McNutt, David W; Halpern, Stacey L; Barrows, Kahaili; Underwood, Nora

2012-12-01

Tolerance to herbivory (the degree to which plants maintain fitness after damage) is a key component of plant defense, so understanding how natural selection and evolutionary constraints act on tolerance traits is important to general theories of plant-herbivore interactions. These factors may be affected by plant competition, which often interacts with damage to influence trait expression and fitness. However, few studies have manipulated competitor density to examine the evolutionary effects of competition on tolerance. In this study, we tested whether intraspecific competition affects four aspects of the evolution of tolerance to herbivory in the perennial plant Solanum carolinense: phenotypic expression, expression of genetic variation, the adaptive value of tolerance, and costs of tolerance. We manipulated insect damage and intraspecific competition for clonal lines of S. carolinense in a greenhouse experiment, and measured tolerance in terms of sexual and asexual fitness components. Compared to plants growing at low density, plants growing at high density had greater expression of and genetic variation in tolerance, and experienced greater fitness benefits from tolerance when damaged. Tolerance was not costly for plants growing at either density, and only plants growing at low density benefited from tolerance when undamaged, perhaps due to greater intrinsic growth rates of more tolerant genotypes. These results suggest that competition is likely to facilitate the evolution of tolerance in S. carolinense, and perhaps in other plants that regularly experience competition, while spatio-temporal variation in density may maintain genetic variation in tolerance.

Deconvolution of Stark broadened spectra for multi-point density measurements in a flow Z-pinch

DOE PAGES

Vogman, G. V.; Shumlak, U.

2011-10-13

Stark broadened emission spectra, once separated from other broadening effects, provide a convenient non-perturbing means of making plasma density measurements. A deconvolution technique has been developed to measure plasma densities in the ZaP flow Z-pinch experiment. The ZaP experiment uses sheared flow to mitigate MHD instabilities. The pinches exhibit Stark broadened emission spectra, which are captured at 20 locations using a multi-chord spectroscopic system. Spectra that are time- and chord-integrated are well approximated by a Voigt function. The proposed method simultaneously resolves plasma electron density and ion temperature by deconvolving the spectral Voigt profile into constituent functions: a Gaussian functionmore » associated with instrument effects and Doppler broadening by temperature; and a Lorentzian function associated with Stark broadening by electron density. The method uses analytic Fourier transforms of the constituent functions to fit the Voigt profile in the Fourier domain. The method is discussed and compared to a basic least-squares fit. The Fourier transform fitting routine requires fewer fitting parameters and shows promise in being less susceptible to instrumental noise and to contamination from neighboring spectral lines. The method is evaluated and tested using simulated lines and is applied to experimental data for the 229.69 nm C III line from multiple chords to determine plasma density and temperature across the diameter of the pinch. As a result, these measurements are used to gain a better understanding of Z-pinch equilibria.« less

Deconvolution of Stark broadened spectra for multi-point density measurements in a flow Z-pinch

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vogman, G. V.; Shumlak, U.

2011-10-15

Stark broadened emission spectra, once separated from other broadening effects, provide a convenient non-perturbing means of making plasma density measurements. A deconvolution technique has been developed to measure plasma densities in the ZaP flow Z-pinch experiment. The ZaP experiment uses sheared flow to mitigate MHD instabilities. The pinches exhibit Stark broadened emission spectra, which are captured at 20 locations using a multi-chord spectroscopic system. Spectra that are time- and chord-integrated are well approximated by a Voigt function. The proposed method simultaneously resolves plasma electron density and ion temperature by deconvolving the spectral Voigt profile into constituent functions: a Gaussian functionmore » associated with instrument effects and Doppler broadening by temperature; and a Lorentzian function associated with Stark broadening by electron density. The method uses analytic Fourier transforms of the constituent functions to fit the Voigt profile in the Fourier domain. The method is discussed and compared to a basic least-squares fit. The Fourier transform fitting routine requires fewer fitting parameters and shows promise in being less susceptible to instrumental noise and to contamination from neighboring spectral lines. The method is evaluated and tested using simulated lines and is applied to experimental data for the 229.69 nm C III line from multiple chords to determine plasma density and temperature across the diameter of the pinch. These measurements are used to gain a better understanding of Z-pinch equilibria.« less

The alpha Centauri Line of Sight: D/H Ratio, Physical Properties of Local Interstellar Gas, and Measurement of Heated Hydrogen (The 'Hydrogen Wall') Near the Heliopause

NASA Astrophysics Data System (ADS)

Linsky, Jeffrey L.; Wood, Brian E.

1996-05-01

We analyze high-resolution spectra of the nearby (1.34 pc) stars alpha Cen A (G2 V) and alpha Cen B (K1 V), which were obtained with the Goddard High Resolution Spectrograph on the Hubble Space Telescope. The observations consist of echelle spectra of the Mg II 2800 A and Fe II 2599 A resonance lines and the Lyman-alpha lines of hydrogen and deuterium. The interstellar gas has a velocity (v = - 18.0 +/- 0.2 km/s) consistent with the local flow vector proposed for this line of sight by Lailement & Berlin (1992). The temperature and nonthermal velocity inferred from the Fe II, Mg II, and D I line profiles are T = 5400 +/- 500 K and xi = 1.20 +/- 0.25 km/s, respectively. However, single-component fits to the H I Lyman-alpha lines yield a Doppler parameter (bHI = 11.80 km/s) that implies a significantly warmer temperature of 8350 K, and the velocity of the H I absorption (v = - 15.8 +/- 0.2 km/s) is redshifted by about 2.2 km/s with respect to the Fe II, Mg II, and D I lines. The one-component model of the interstellar gas suggests natural logarithm N base HI = 18.03 +/- 0.01 and D/H = (5.7 +/- 0.2) x 10-6 . These parameters lead to a good fit to the observed spectra, but this model does not explain the higher temperature and redshift of H I relative to the other interstellar lines. The most sensible way to resolve the discrepancy between H(I) and the other lines is to add a second absorption component to the H(I) lines. This second component is hotter (T approx. equals 30,000 K), is redshifted relative to the primary component by 2-4 km/s, and has a column density too low to be detected in the Fe(II), Mg(II), and D(I) lines. We propose that the gas responsible for this component is located near the heliopause, consisting of the heated H I gas from the interstellar medium that is compressed by the solar wind. This so-called 'hydrogen wall' is predicted by recent multifluid gasdynamical models of the interstellar gas and solar wind interaction. Our data provide the first measurements of the temperature and column density of H(I) in the hydrogen wall. After considering the effects that a corresponding hydrogen wall around alpha Cen would have on our analysis, our best estimates for the parameters of the solar hydrogen wall are natural log N(2)(H(I)) = 14.74 +/- 0.24, b(2)(H(I)) = 21.9 +/- 1.7 km/s (corresponding to T = 29,000 +/- 5000 K), and v(2)(H(I)) greater than -16km/s. Unfortunately, the existence of this heated H(I) reduces our ability to compute the H(I) column density of the interstellar medium accurately because, with slight alterations to our assumed stellar Lyman-alpha profiles, we discovered that acceptable two-component fits also exist with natural log N(H(I))approx. 17.6. We, therefore, quote large error bars for the H I column density along the alpha Cen line of sight, natural log N(H(I)) = 17.80 +/- 0.30. For this range in N(H(I)), n(H(I)) = 0.15 /cu.cm (+/- a factor of 2) and D/H = (0.5-1.9) x 10-5. This is the first direct measurement of the H(I) density in a local cloud and allows us to predict the distance from the Sun to the edge of the local cloud along various lines of sight. This range in D/H is consistent with the value D/H = 1.6 x 10-5 previously derived for the Capella and Procyon lines of sight. We cannot tell whether D/H ratio varies or is constant in the local interstellar medium, but we do find that the D(I)/Mg(II) ratio for the alpha Cen line of sight is about 4 times smaller than for the Capella and Procyon lines of sight. Therefore, either D/H or the Mg depletion varies significantly over distance scales of only a few parsecs.

Spectral Properties of Suprathermal Heavy Ions in Corotating Interaction Regions at 1 AU

NASA Astrophysics Data System (ADS)

Filwett, R. J.; Desai, M. I.; Ebert, R. W.; Dayeh, M. A.

2017-12-01

Suprathermal particles are an important constituent of the seed population that is accelerated in interplanetary events. Despite their importance, the origin of these particles and the acceleration mechanism they undergo is poorly understood. Using data from Wind/EPACT/STEP and ACE/ULEIS we examined the 0.03-3.0MeV nucleon-1 H-Fe spectra in 41 corotating interaction regions (CIRs). We fit power-law functions to the data to obtain the spectral index γ and break energy Eo. We examined the energy and species-to-species variation of both γ and Eo. Our results show Eo decreases systematically with decreasing Q/M scaling as (Q/M)α. Additionally, we compared the expected compression ratio, H, as determined by γ, to the observed magnetic and density compression ratios. We discuss these results and their implications to local vs. non-local suprathermal particle acceleration and transport in CIRs.

Equation of state fits to the lower mantle and outer core

NASA Technical Reports Server (NTRS)

Butler, R.; Anderson, D. L.

1978-01-01

The lower mantle and outer core are subjected to tests for homogeneity and adiabaticity. An earth model is used which is based on the inversion of body waves and Q-corrected normal-mode data. Homogeneous regions are found at radii between 5125 and 4825 km, 4600 and 3850 km, and 3200 and 2200 km. The lower mantle and outer core are inhomogeneous on the whole and are only homogeneous in the above local regions. Finite-strain and atomistic equations of state are fit to the homogeneous regions. The apparent convergence of the finite-strain relations is examined to judge their applicability to a given region. In some cases the observed pressure derivatives of the elastic moduli are used as additional constraints. The effect of minor deviations from adiabaticity on the extrapolations is also considered. An ensemble of zero-pressure values of the density and seismic velocities are found for these regions. The range of extrapolated values from these several approaches provides a measure of uncertainties involved.

Density of Plutonium Turnings Generated from Machining Activities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonzales, John Robert; Vigil, Duane M.; Jachimowski, Thomas A.

The purpose of this project was to determine the density of plutonium (Pu) turnings generated from the range of machining activities, using both surrogate material and machined Pu turnings. Verify that 500 grams (g) of plutonium will fit in a one quart container using a surrogate equivalent volume and that 100 grams of Pu will fit in a one quart Savy container.

Early life stages contribute strongly to local adaptation in Arabidopsis thaliana.

PubMed

Postma, Froukje M; Ågren, Jon

2016-07-05

The magnitude and genetic basis of local adaptation is of fundamental interest in evolutionary biology. However, field experiments usually do not consider early life stages, and therefore may underestimate local adaptation and miss genetically based tradeoffs. We examined the contribution of differences in seedling establishment to adaptive differentiation and the genetic architecture of local adaptation using recombinant inbred lines (RIL) derived from a cross between two locally adapted populations (Italy and Sweden) of the annual plant Arabidopsis thaliana We planted freshly matured, dormant seeds (>180 000) representing >200 RILs at the native field sites of the parental genotypes, estimated the strength of selection during different life stages, mapped quantitative trait loci (QTL) for fitness and its components, and quantified selection on seed dormancy. We found that selection during the seedling establishment phase contributed strongly to the fitness advantage of the local genotype at both sites. With one exception, local alleles of the eight distinct establishment QTL were favored. The major QTL for establishment and total fitness showed evidence of a fitness tradeoff and was located in the same region as the major seed dormancy QTL and the dormancy gene DELAY OF GERMINATION 1 (DOG1). RIL seed dormancy could explain variation in seedling establishment and fitness across the life cycle. Our results demonstrate that genetically based differences in traits affecting performance during early life stages can contribute strongly to adaptive differentiation and genetic tradeoffs, and should be considered for a full understanding of the ecology and genetics of local adaptation.

GALACTIC COSMIC RAYS IN THE LOCAL INTERSTELLAR MEDIUM: VOYAGER 1 OBSERVATIONS AND MODEL RESULTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cummings, A. C.; Stone, E. C.; Heikkila, B. C.

Since 2012 August Voyager 1 has been observing the local interstellar energy spectra of Galactic cosmic-ray nuclei down to 3 MeV nuc{sup -1} and electrons down to 2.7 MeV. The H and He spectra have the same energy dependence between 3 and 346 MeV nuc{sup -1}, with a broad maximum in the 10–50 MeV nuc{sup -1} range and a H/He ratio of 12.2 ± 0.9. The peak H intensity is ∼15 times that observed at 1 AU, and the observed local interstellar gradient of 3–346 MeV H is -0.009 ± 0.055% AU{sup -1}, consistent with models having no local interstellarmore » gradient. The energy spectrum of electrons ( e {sup -} + e {sup +}) with 2.7–74 MeV is consistent with E {sup -1.30±0.05} and exceeds the H intensity at energies below ∼50 MeV. Propagation model fits to the observed spectra indicate that the energy density of cosmic-ray nuclei with >3 MeV nuc{sup -1} and electrons with >3 MeV is 0.83–1.02 eV cm{sup -3} and the ionization rate of atomic H is in the range of 1.51–1.64 × 10{sup -17} s{sup -1}. This rate is a factor >10 lower than the ionization rate in diffuse interstellar clouds, suggesting significant spatial inhomogeneity in low-energy cosmic rays or the presence of a suprathermal tail on the energy spectrum at much lower energies. The propagation model fits also provide improved estimates of the elemental abundances in the source of Galactic cosmic rays.« less

Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

NASA Astrophysics Data System (ADS)

Bajaj, Akash; Janet, Jon Paul; Kulik, Heather J.

2017-11-01

The flat-plane condition is the union of two exact constraints in electronic structure theory: (i) energetic piecewise linearity with fractional electron removal or addition and (ii) invariant energetics with change in electron spin in a half filled orbital. Semi-local density functional theory (DFT) fails to recover the flat plane, exhibiting convex fractional charge errors (FCE) and concave fractional spin errors (FSE) that are related to delocalization and static correlation errors. We previously showed that DFT+U eliminates FCE but now demonstrate that, like other widely employed corrections (i.e., Hartree-Fock exchange), it worsens FSE. To find an alternative strategy, we examine the shape of semi-local DFT deviations from the exact flat plane and we find this shape to be remarkably consistent across ions and molecules. We introduce the judiciously modified DFT (jmDFT) approach, wherein corrections are constructed from few-parameter, low-order functional forms that fit the shape of semi-local DFT errors. We select one such physically intuitive form and incorporate it self-consistently to correct semi-local DFT. We demonstrate on model systems that jmDFT represents the first easy-to-implement, no-overhead approach to recovering the flat plane from semi-local DFT.

A Numerical Fit of Analytical to Simulated Density Profiles in Dark Matter Haloes

NASA Astrophysics Data System (ADS)

Caimmi, R.; Marmo, C.; Valentinuzzi, T.

2005-06-01

Analytical and geometrical properties of generalized power-law (GPL) density profiles are investigated in detail. In particular, a one-to-one correspondence is found between mathematical parameters (a scaling radius, r_0, a scaling density, rho_0, and three exponents, alpha, beta, gamma), and geometrical parameters (the coordinates of the intersection of the asymptotes, x_C, y_C, and three vertical intercepts, b, b_beta, b_gamma, related to the curve and the asymptotes, respectively): (r_0,rho_0,alpha,beta,gamma) <--> (x_C,y_C,b,b_beta,b_gamma). Then GPL density profiles are compared with simulated dark haloes (SDH) density profiles, and nonlinear least-absolute values and least-squares fits involving the above mentioned five parameters (RFSM5 method) are prescribed. More specifically, the sum of absolute values or squares of absolute logarithmic residuals, R_i= log rhoSDH(r_i)-log rhoGPL(r_i), is evaluated on 10^5 points making a 5- dimension hypergrid, through a few iterations. The size is progressively reduced around a fiducial minimum, and superpositions on nodes of earlier hypergrids are avoided. An application is made to a sample of 17 SDHs on the scale of cluster of galaxies, within a flat LambdaCDM cosmological model (Rasia et al. 2004). In dealing with the mean SDH density profile, a virial radius, rvir, averaged over the whole sample, is assigned, which allows the calculation of the remaining parameters. Using a RFSM5 method provides a better fit with respect to other methods. The geometrical parameters, averaged over the whole sample of best fitting GPL density profiles, yield (alpha,beta,gamma) approx(0.6,3.1,1.0), to be compared with (alpha,beta,gamma)=(1,3,1), i.e. the NFW density profile (Navarro et al. 1995, 1996, 1997), (alpha,beta,gamma)=(1.5,3,1.5) (Moore et al. 1998, 1999), (alpha,beta,gamma)=(1,2.5,1) (Rasia et al. 2004); and, in addition, gamma approx 1.5 (Hiotelis 2003), deduced from the application of a RFSM5 method, but using a different definition of scaled radius, or concentration; and gamma approx 1.2-1.3 deduced from more recent high-resolution simulations (Diemand et al. 2004, Reed et al. 2005). No evident correlation is found between SDH dynamical state (relaxed or merging) and asymptotic inner slope of the fitting logarithmic density profile or (for SDH comparable virial masses) scaled radius. Mean values and standard deviations of some parameters are calculated, and in particular the decimal logarithm of the scaled radius, xivir, reads < log xivir >=0.74 and sigma_s log xivir=0.15-0.17, consistent with previous results related to NFW density profiles. It provides additional support to the idea, that NFW density profiles may be considered as a convenient way to parametrize SDH density profiles, without implying that it necessarily produces the best possible fit (Bullock et al. 2001). A certain degree of degeneracy is found in fitting GPL to SDH density profiles. If it is intrinsic to the RFSM5 method or it could be reduced by the next generation of high-resolution simulations, still remains an open question.

Intraspecific variation in stomatal traits, leaf traits and physiology reflects adaptation along aridity gradients in a South African shrub

PubMed Central

Carlson, Jane E.; Adams, Christopher A.; Holsinger, Kent E.

2016-01-01

Background and Aims Trait–environment relationships are commonly interpreted as evidence for local adaptation in plants. However, even when selection analyses support this interpretation, the mechanisms underlying differential benefits are often unknown. This study addresses this gap in knowledge using the broadly distributed South African shrub Protea repens. Specifically, the study examines whether broad-scale patterns of trait variation are consistent with spatial differences in selection and ecophysiology in the wild. Methods In a common garden study of plants sourced from 19 populations, associations were measured between five morphological traits and three axes describing source climates. Trait–trait and trait–environment associations were analysed in a multi-response model. Within two focal populations in the wild, selection and path analyses were used to test associations between traits, fecundity and physiological performance. Key Results Across 19 populations in a common garden, stomatal density increased with the source population’s mean annual temperature and decreased with its average amount of rainfall in midsummer. Concordantly, selection analysis in two natural populations revealed positive selection on stomatal density at the hotter, drier site, while failing to detect selection at the cooler, moister site. Dry-site plants with high stomatal density also had higher stomatal conductances, cooler leaf temperatures and higher light-saturated photosynthetic rates than those with low stomatal density, but no such relationships were present among wet-site plants. Leaf area, stomatal pore index and specific leaf area in the garden also co-varied with climate, but within-population differences were not associated with fitness in either wild population. Conclusions The parallel patterns of broad-scale variation, differences in selection and differences in trait–ecophysiology relationships suggest a mechanism for adaptive differentiation in stomatal density. Densely packed stomata may improve performance by increasing transpiration and cooling, but predominately in drier, hotter climates. This study uniquely shows context-dependent benefits of stomatal density – a trait rarely linked to local adaptation in plants. PMID:26424782

Fitness of Crop-Wild Hybrid Sunflower under Competitive Conditions: Implications for Crop-to-Wild Introgression

PubMed Central

Mercer, Kristin L.; Emry, D. Jason; Snow, Allison A.; Kost, Matthew A.; Pace, Brian A.; Alexander, Helen M.

2014-01-01

Understanding the likelihood and extent of introgression of novel alleles in hybrid zones requires comparison of lifetime fitness of parents and hybrid progeny. However, fitness differences among cross types can vary depending on biotic conditions, thereby influencing introgression patterns. Based on past work, we predicted that increased competition would enhance introgression between cultivated and wild sunflower (Helianthus annuus) by reducing fitness advantages of wild plants. To test this prediction, we established a factorial field experiment in Kansas, USA where we monitored the fitness of four cross types (Wild, F1, F2, and BCw hybrids) under different levels of interspecific and intraspecific competition. Intraspecific manipulations consisted both of density of competitors and of frequency of crop-wild hybrids. We recorded emergence of overwintered seeds, survival to reproduction, and numbers of seeds produced per reproductive plant. We also calculated two compound fitness measures: seeds produced per emerged seedling and seeds produced per planted seed. Cross type and intraspecific competition affected emergence and survival to reproduction, respectively. Further, cross type interacted with competitive treatments to influence all other fitness traits. More intense competition treatments, especially related to density of intraspecific competitors, repeatedly reduced the fitness advantage of wild plants when considering seeds produced per reproductive plant and per emerged seedling, and F2 plants often became indistinguishable from the wilds. Wild fitness remained superior when seedling emergence was also considered as part of fitness, but the fitness of F2 hybrids relative to wild plants more than quadrupled with the addition of interspecific competitors and high densities of intraspecific competitors. Meanwhile, contrary to prediction, lower hybrid frequency reduced wild fitness advantage. These results emphasize the importance of taking a full life cycle perspective. Additionally, due to effects of exogenous selection, a given hybrid generation may be especially well-suited to hastening introgression under particular environmental conditions. PMID:25295859

Fitness of crop-wild hybrid sunflower under competitive conditions: implications for crop-to-wild introgression.

PubMed

Mercer, Kristin L; Emry, D Jason; Snow, Allison A; Kost, Matthew A; Pace, Brian A; Alexander, Helen M

2014-01-01

Understanding the likelihood and extent of introgression of novel alleles in hybrid zones requires comparison of lifetime fitness of parents and hybrid progeny. However, fitness differences among cross types can vary depending on biotic conditions, thereby influencing introgression patterns. Based on past work, we predicted that increased competition would enhance introgression between cultivated and wild sunflower (Helianthus annuus) by reducing fitness advantages of wild plants. To test this prediction, we established a factorial field experiment in Kansas, USA where we monitored the fitness of four cross types (Wild, F1, F2, and BCw hybrids) under different levels of interspecific and intraspecific competition. Intraspecific manipulations consisted both of density of competitors and of frequency of crop-wild hybrids. We recorded emergence of overwintered seeds, survival to reproduction, and numbers of seeds produced per reproductive plant. We also calculated two compound fitness measures: seeds produced per emerged seedling and seeds produced per planted seed. Cross type and intraspecific competition affected emergence and survival to reproduction, respectively. Further, cross type interacted with competitive treatments to influence all other fitness traits. More intense competition treatments, especially related to density of intraspecific competitors, repeatedly reduced the fitness advantage of wild plants when considering seeds produced per reproductive plant and per emerged seedling, and F2 plants often became indistinguishable from the wilds. Wild fitness remained superior when seedling emergence was also considered as part of fitness, but the fitness of F2 hybrids relative to wild plants more than quadrupled with the addition of interspecific competitors and high densities of intraspecific competitors. Meanwhile, contrary to prediction, lower hybrid frequency reduced wild fitness advantage. These results emphasize the importance of taking a full life cycle perspective. Additionally, due to effects of exogenous selection, a given hybrid generation may be especially well-suited to hastening introgression under particular environmental conditions.

Understanding how roadside concentrations of NOx are influenced by the background levels, traffic density, and meteorological conditions using Boosted Regression Trees

NASA Astrophysics Data System (ADS)

Sayegh, Arwa; Tate, James E.; Ropkins, Karl

2016-02-01

Oxides of Nitrogen (NOx) is a major component of photochemical smog and its constituents are considered principal traffic-related pollutants affecting human health. This study investigates the influence of background concentrations of NOx, traffic density, and prevailing meteorological conditions on roadside concentrations of NOx at UK urban, open motorway, and motorway tunnel sites using the statistical approach Boosted Regression Trees (BRT). BRT models have been fitted using hourly concentration, traffic, and meteorological data for each site. The models predict, rank, and visualise the relationship between model variables and roadside NOx concentrations. A strong relationship between roadside NOx and monitored local background concentrations is demonstrated. Relationships between roadside NOx and other model variables have been shown to be strongly influenced by the quality and resolution of background concentrations of NOx, i.e. if it were based on monitored data or modelled prediction. The paper proposes a direct method of using site-specific fundamental diagrams for splitting traffic data into four traffic states: free-flow, busy-flow, congested, and severely congested. Using BRT models, the density of traffic (vehicles per kilometre) was observed to have a proportional influence on the concentrations of roadside NOx, with different fitted regression line slopes for the different traffic states. When other influences are conditioned out, the relationship between roadside concentrations and ambient air temperature suggests NOx concentrations reach a minimum at around 22 °C with high concentrations at low ambient air temperatures which could be associated to restricted atmospheric dispersion and/or to changes in road traffic exhaust emission characteristics at low ambient air temperatures. This paper uses BRT models to study how different critical factors, and their relative importance, influence the variation of roadside NOx concentrations. The paper highlights the importance of either setting up local background continuous monitors or improving the quality and resolution of modelled UK background maps and the need to further investigate the influence of ambient air temperature on NOx emissions and roadside NOx concentrations.

Inter-Population Variability of Endosymbiont Densities in the Asian Citrus Psyllid (Diaphorina citri Kuwayama).

PubMed

Chu, Chia-Ching; Gill, Torrence A; Hoffmann, Mark; Pelz-Stelinski, Kirsten S

2016-05-01

The Asian citrus psyllid (Diaphorina citri Kuwayama) is an insect pest capable of transmitting Candidatus Liberibacter asiaticus (CLas), the causal agent of citrus greening in North America. D. citri also harbors three endosymbionts, Wolbachia, Candidatus Carsonella ruddii, and Candidatus Profftella armatura, which may influence D. citri physiology and fitness. Although genomic researches on these bacteria have been conducted, much remains unclear regarding their ecology and inter-population variability in D. citri. The present work examined the densities of each endosymbiont in adult D. citri sampled from different populations using quantitative PCR. Under field conditions, the densities of all three endosymbionts positively correlated with each other, and they are associated with D. citri gender and locality. In addition, the infection density of CLas also varied across populations. Although an analysis pooling D. citri from different populations showed that CLas-infected individuals tended to have lower endosymbiont densities compared to uninfected individuals, the difference was not significant when the population was included as a factor in the analysis, suggesting that other population-specific factors may have stronger effects on endosymbiont densities. To determine whether there is a genetic basis to the density differences, endosymbiont densities between aged CLas-negative females of two D. citri populations reared under standardized laboratory conditions were compared. Results suggested that inter-population variability in Wolbachia infection density is associated with the genotypes of the endosymbiont or the host. Findings from this work could facilitate understanding of D. citri-bacterial associations that may benefit the development of approaches for managing citrus greening, such as prevention of CLas transmission.

Statistical inference for noisy nonlinear ecological dynamic systems.

PubMed

Wood, Simon N

2010-08-26

Chaotic ecological dynamic systems defy conventional statistical analysis. Systems with near-chaotic dynamics are little better. Such systems are almost invariably driven by endogenous dynamic processes plus demographic and environmental process noise, and are only observable with error. Their sensitivity to history means that minute changes in the driving noise realization, or the system parameters, will cause drastic changes in the system trajectory. This sensitivity is inherited and amplified by the joint probability density of the observable data and the process noise, rendering it useless as the basis for obtaining measures of statistical fit. Because the joint density is the basis for the fit measures used by all conventional statistical methods, this is a major theoretical shortcoming. The inability to make well-founded statistical inferences about biological dynamic models in the chaotic and near-chaotic regimes, other than on an ad hoc basis, leaves dynamic theory without the methods of quantitative validation that are essential tools in the rest of biological science. Here I show that this impasse can be resolved in a simple and general manner, using a method that requires only the ability to simulate the observed data on a system from the dynamic model about which inferences are required. The raw data series are reduced to phase-insensitive summary statistics, quantifying local dynamic structure and the distribution of observations. Simulation is used to obtain the mean and the covariance matrix of the statistics, given model parameters, allowing the construction of a 'synthetic likelihood' that assesses model fit. This likelihood can be explored using a straightforward Markov chain Monte Carlo sampler, but one further post-processing step returns pure likelihood-based inference. I apply the method to establish the dynamic nature of the fluctuations in Nicholson's classic blowfly experiments.

GALAPAGOS-C: analysis of galaxy morphologies using high-performance computing methods

NASA Astrophysics Data System (ADS)

Hiemer, Andreas; Barden, Marco; Kelvin, Lee S.; Häußler, Boris; Schindler, Sabine

2014-11-01

We present GALAPAGOS-C, a code designed to process a complete set of survey images through automation of source detection (via SEXTRACTOR), postage stamp cutting, object mask preparation, sky background estimation and complex two-dimensional light profile Sérsic modelling (via GALFIT). GALAPAGOS-C is designed around the concept of MPI-parallelization, allowing the processing of large data sets in a quick and efficient manner. Further, GALAPAGOS-C is capable of fitting multiple-Sérsic profiles to each galaxy, each representing distinct galaxy components (e.g. bulge, disc, bar), in addition to the option to fit asymmetric Fourier mode distortions. The modelling reliability of our core single-Sérsic fitting capability is tested thoroughly using image simulations. We apply GALAPAGOS-C to the Space Telescope A901/902 Galaxy Evolution Survey to investigate the evolution of galaxy structure with cosmic time and the dependence on environment. We measure the distribution of Sérsic indices as a function of local object density in the A901/902 cluster sample to provide one of the first measures of the Sérsic index-density relation. We find that the fraction of galaxies with a high Sérsic index (2.5 < n < 7.0) is higher in denser environments (˜35 per cent), halving towards sparsely populated regions (˜15 per cent). The population of low Sérsic index galaxies (0.4 < n< 1.6) is lower in denser environments (˜35 per cent), increasing towards sparsely populated regions (˜60 per cent). The population of intermediate Sérsic index galaxies (1.6 < n < 2.5) approximately follows the trend of the high Sérsic index types.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borovsky, Joseph E; Cayton, Thomas E; Denton, Michael H

Electron flux measurements from 7 satellites in geosynchronous orbit from 1990-2007 are fit with relativistic bi-Maxwellians, yielding a number density n and temperature T description of the outer electron radiation belt. For 54.5 spacecraft years of measurements the median value ofn is 3.7x10-4 cm-3 and the median value ofT is 142 keY. General statistical properties of n, T, and the 1.1-1.5 MeV flux J are investigated, including local-time and solar-cycle dependencies. Using superposed-epoch analysis triggered on storm onset, the evolution of the outer electron radiation belt through high-speed-steam-driven storms is investigated. The number density decay during the calm before themore » storm is seen, relativistic-electron dropouts and recoveries from dropout are investigated, and the heating of the outer electron radiation belt during storms is examined. Using four different triggers (SSCs, southward-IMF CME sheaths, southward-IMF magnetic clouds, and minimum Dst), CME-driven storms are analyzed with superposed-epoch techniques. For CME-driven storms an absence of a density decay prior to storm onset is found, the compression of the outer electron radiation belt at time of SSC is analyzed, the number-density increase and temperature decrease during storm main phase is seen, and the increase in density and temperature during storm recovery phase is observed. Differences are found between the density-temperature and the flux descriptions, with more information for analysis being available in the density-temperature description.« less

The Effect of Filaments and Tendrils on the H I Content of Galaxies

NASA Astrophysics Data System (ADS)

Crone Odekon, Mary; Hallenbeck, Gregory; Haynes, Martha P.; Koopmann, Rebecca A.; Phi, An; Wolfe, Pierre-Francois

2018-01-01

We use the ALFALFA H I survey to examine whether the cold gas reservoirs of galaxies are inhibited or enhanced in large-scale filaments. Our sample includes 9947 late-type galaxies with H I detections and 4236 late-type galaxies with well-determined H I detection limits that we incorporate using survival analysis statistics. We find that, even at fixed local density and stellar mass, and with group galaxies removed, the H I deficiency of galaxies in the stellar mass range 8.5 < log(M/M ⊙) < 10.5 decreases with distance from the filament spine, suggesting that galaxies are cut off from their supply of cold gas in this environment. We also find that, at fixed local density and stellar mass, the galaxies that are the most gas-rich are those in small, correlated “tendril” structures within voids: although galaxies in tendrils are in significantly denser environments, on average, than galaxies in voids, they are not redder or more H I deficient. This stands in contrast to the fact that galaxies in tendrils are more massive than those in voids, suggesting a more advanced stage of evolution. Finally, at fixed stellar mass and color, galaxies closer to the filament spine, or in high-density environments, are more deficient in H I. This fits a picture where, as galaxies enter denser regions, they first lose H I gas and then redden as star formation is reduced.

Long-term fitness consequences of early environment in a long-lived ungulate

PubMed Central

Festa-Bianchet, Marco; Pelletier, Fanie

2017-01-01

Cohort effects can be a major source of heterogeneity and play an important role in population dynamics. Silver-spoon effects, when environmental quality at birth improves future performance regardless of the adult environment, can induce strong lagged responses on population growth. Alternatively, the external predictive adaptive response (PAR) hypothesis predicts that organisms will adjust their developmental trajectory and physiology during early life in anticipation of expected adult conditions but has rarely been assessed in wild species. We used over 40 years of detailed individual monitoring of bighorn ewes (Ovis canadensis) to quantify long-term cohort effects on survival and reproduction. We then tested both the silver-spoon and the PAR hypotheses. Cohort effects involved a strong interaction between birth and current environments: reproduction and survival were lowest for ewes that were born and lived at high population densities. This interaction, however, does not support the PAR hypothesis because individuals with matching high-density birth and adult environments had reduced fitness. Instead, individuals born at high density had overall lower lifetime fitness suggesting a silver-spoon effect. Early-life conditions can induce long-term changes in fitness components, and their effects on cohort fitness vary according to adult environment. PMID:28424347

One-point fitting of the flux density produced by a heliostat

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collado, Francisco J.

Accurate and simple models for the flux density reflected by an isolated heliostat should be one of the basic tools for the design and optimization of solar power tower systems. In this work, the ability and the accuracy of the Universidad de Zaragoza (UNIZAR) and the DLR (HFCAL) flux density models to fit actual energetic spots are checked against heliostat energetic images measured at Plataforma Solar de Almeria (PSA). Both the fully analytic models are able to acceptably fit the spot with only one-point fitting, i.e., the measured maximum flux. As a practical validation of this one-point fitting, the interceptmore » percentage of the measured images, i.e., the percentage of the energetic spot sent by the heliostat that gets the receiver surface, is compared with the intercept calculated through the UNIZAR and HFCAL models. As main conclusions, the UNIZAR and the HFCAL models could be quite appropriate tools for the design and optimization, provided the energetic images from the heliostats to be used in the collector field were previously analyzed. Also note that the HFCAL model is much simpler and slightly more accurate than the UNIZAR model. (author)« less

Using Stocking or Harvesting to Reverse Period-Doubling Bifurcations in Discrete Population Models

Treesearch

James F. Selgrade

1998-01-01

This study considers a general class of 2-dimensional, discrete population models where each per capita transition function (fitness) depends on a linear combination of the densities of the interacting populations. The fitness functions are either monotone decreasing functions (pioneer fitnesses) or one-humped functions (climax fitnesses). Four sets of necessary...

Reversing Period-Doubling Bifurcations in Models of Population Interactions Using Constant Stocking or Harvesting

Treesearch

James F. Selgrade; James H. Roberds

1998-01-01

This study considers a general class of two-dimensional, discrete population models where each per capita transition function (fitness) depends on a linear combination of the densities of the interacting populations. The fitness functions are either monotone decreasing functions (pioneer fitnesses) or one-humped functions (climax fitnesses). Conditions are derived...

Towards local progression estimation of pulmonary emphysema using CT.

PubMed

Staring, M; Bakker, M E; Stolk, J; Shamonin, D P; Reiber, J H C; Stoel, B C

2014-02-01

Whole lung densitometry on chest CT images is an accepted method for measuring tissue destruction in patients with pulmonary emphysema in clinical trials. Progression measurement is required for evaluation of change in health condition and the effect of drug treatment. Information about the location of emphysema progression within the lung may be important for the correct interpretation of drug efficacy, or for determining a treatment plan. The purpose of this study is therefore to develop and validate methods that enable the local measurement of lung density changes, which requires proper modeling of the effect of respiration on density. Four methods, all based on registration of baseline and follow-up chest CT scans, are compared. The first naïve method subtracts registered images. The second employs the so-called dry sponge model, where volume correction is performed using the determinant of the Jacobian of the transformation. The third and the fourth introduce a novel adaptation of the dry sponge model that circumvents its constant-mass assumption, which is shown to be invalid. The latter two methods require a third CT scan at a different inspiration level to estimate the patient-specific density-volume slope, where one method employs a global and the other a local slope. The methods were validated on CT scans of a phantom mimicking the lung, where mass and volume could be controlled. In addition, validation was performed on data of 21 patients with pulmonary emphysema. The image registration method was optimized leaving a registration error below half the slice increment (median 1.0 mm). The phantom study showed that the locally adapted slope model most accurately measured local progression. The systematic error in estimating progression, as measured on the phantom data, was below 2 gr/l for a 70 ml (6%) volume difference, and 5 gr/l for a 210 ml (19%) difference, if volume correction was applied. On the patient data an underlying linearity assumption relating lung volume change with density change was shown to hold (fitR(2) = 0.94), and globalized versions of the local models are consistent with global results (R(2) of 0.865 and 0.882 for the two adapted slope models, respectively). In conclusion, image matching and subsequent analysis of differences according to the proposed lung models (i) has good local registration accuracy on patient data, (ii) effectively eliminates a dependency on inspiration level at acquisition time, (iii) accurately predicts progression in phantom data, and (iv) is reasonably consistent with global results in patient data. It is therefore a potential future tool for assessing local emphysema progression in drug evaluation trials and in clinical practice.

Surveillance system and method having an adaptive sequential probability fault detection test

NASA Technical Reports Server (NTRS)

Herzog, James P. (Inventor); Bickford, Randall L. (Inventor)

2005-01-01

System and method providing surveillance of an asset such as a process and/or apparatus by providing training and surveillance procedures that numerically fit a probability density function to an observed residual error signal distribution that is correlative to normal asset operation and then utilizes the fitted probability density function in a dynamic statistical hypothesis test for providing improved asset surveillance.

Surveillance system and method having an adaptive sequential probability fault detection test

NASA Technical Reports Server (NTRS)

Bickford, Randall L. (Inventor); Herzog, James P. (Inventor)

2006-01-01

System and method providing surveillance of an asset such as a process and/or apparatus by providing training and surveillance procedures that numerically fit a probability density function to an observed residual error signal distribution that is correlative to normal asset operation and then utilizes the fitted probability density function in a dynamic statistical hypothesis test for providing improved asset surveillance.

Surveillance System and Method having an Adaptive Sequential Probability Fault Detection Test

NASA Technical Reports Server (NTRS)

Bickford, Randall L. (Inventor); Herzog, James P. (Inventor)

2008-01-01

System and method providing surveillance of an asset such as a process and/or apparatus by providing training and surveillance procedures that numerically fit a probability density function to an observed residual error signal distribution that is correlative to normal asset operation and then utilizes the fitted probability density function in a dynamic statistical hypothesis test for providing improved asset surveillance.

Opportunities for future supernova studies of cosmic acceleration.

PubMed

Weller, J; Albrecht, A

2001-03-05

We investigate the potential of a future supernova data set, as might be obtained by the proposed SNAP satellite, to discriminate among different "dark energy" theories that describe an accelerating Universe. We find that many such models can be distinguished with a fit to the effective pressure-to-density ratio w of this energy. More models can be distinguished when the effective slope dw/dz of a changing w is also fit, but only if our knowledge of the current mass density Omega(m) is improved. We investigate the use of "fitting functions" to interpret luminosity distance data from supernova searches.

Structural relaxation processes in polyethylene glycol/CCl4 solutions by Brillouin scattering.

PubMed

Pochylski, M; Aliotta, F; Błaszczak, Z; Gapiński, J

2005-03-10

We present results of a Brillouin scattering experiment on solutions of poly(ethylene glycol) of mean molecular mass 600 g/mol (PEG600) in CCl4. The relaxation process detected has been assigned to conformational rearrangements of the polymeric chains, triggered by reorientation of the side groups. The concentration dependencies of the hypersound velocity and normalized absorption are compared against the indications from several models proposed in the literature. The concentration evolution of the system is described in terms of two distinct regimes. At high polymer content, the system is dominated by the structure of the dense polymer, where polymer-polymer interactions, together with excluded volume effects, induce the existence of a preferred local arrangement resulting in a narrow distribution of the relaxation times, with the average value of the relaxation time following a simple Arrhenius temperature dependence. As the concentration decreases, the original structure of the hydrogen bonded polymer network is destroyed, and a number of different local configuration coexist, giving rise to a wider distribution of relaxation times or to a multiple relaxation. At low concentrations, the experimental data are well fitted assuming a Vogel-Fulker-Tammon behavior for the average relaxation time. In addition, the observed deviation from the ideal behavior for the refractive index and the density suggests that CCl4 does not behave as an inert solvent, and due to polarization effects, it can develop local hetero-associated structures via electrostatic interaction with the O-H end groups of the polymeric chains. The hypothesis has been successfully tested by fitting the concentration behavior of the hypersonic velocity to a recent three-component model, suitable to describe the concentration dependence of sound velocity in moderately interacting fluids. The indication of the model furnishes a very high value for the association constant of the PEG600, confirming the literature indication that, in polymeric systems capable of developing long liner aggregates via hydrogen bonding interaction, the Brillouin probe is insensitive to the true length of the polymeric chains. The Brillouin scattering experiment just sees an effective hydrogen bonded aggregate that is huge relative to the length of the single polymeric chain and becomes sensitive only to the density fluctuations of the local segmental motions.

Measuring molecular motions inside single cells with improved analysis of single-particle trajectories

NASA Astrophysics Data System (ADS)

Rowland, David J.; Biteen, Julie S.

2017-04-01

Single-molecule super-resolution imaging and tracking can measure molecular motions inside living cells on the scale of the molecules themselves. Diffusion in biological systems commonly exhibits multiple modes of motion, which can be effectively quantified by fitting the cumulative probability distribution of the squared step sizes in a two-step fitting process. Here we combine this two-step fit into a single least-squares minimization; this new method vastly reduces the total number of fitting parameters and increases the precision with which diffusion may be measured. We demonstrate this Global Fit approach on a simulated two-component system as well as on a mixture of diffusing 80 nm and 200 nm gold spheres to show improvements in fitting robustness and localization precision compared to the traditional Local Fit algorithm.

Modelling long-term fire occurrence factors in Spain by accounting for local variations with geographically weighted regression

NASA Astrophysics Data System (ADS)

Martínez-Fernández, J.; Chuvieco, E.; Koutsias, N.

2013-02-01

Humans are responsible for most forest fires in Europe, but anthropogenic factors behind these events are still poorly understood. We tried to identify the driving factors of human-caused fire occurrence in Spain by applying two different statistical approaches. Firstly, assuming stationary processes for the whole country, we created models based on multiple linear regression and binary logistic regression to find factors associated with fire density and fire presence, respectively. Secondly, we used geographically weighted regression (GWR) to better understand and explore the local and regional variations of those factors behind human-caused fire occurrence. The number of human-caused fires occurring within a 25-yr period (1983-2007) was computed for each of the 7638 Spanish mainland municipalities, creating a binary variable (fire/no fire) to develop logistic models, and a continuous variable (fire density) to build standard linear regression models. A total of 383 657 fires were registered in the study dataset. The binary logistic model, which estimates the probability of having/not having a fire, successfully classified 76.4% of the total observations, while the ordinary least squares (OLS) regression model explained 53% of the variation of the fire density patterns (adjusted R2 = 0.53). Both approaches confirmed, in addition to forest and climatic variables, the importance of variables related with agrarian activities, land abandonment, rural population exodus and developmental processes as underlying factors of fire occurrence. For the GWR approach, the explanatory power of the GW linear model for fire density using an adaptive bandwidth increased from 53% to 67%, while for the GW logistic model the correctly classified observations improved only slightly, from 76.4% to 78.4%, but significantly according to the corrected Akaike Information Criterion (AICc), from 3451.19 to 3321.19. The results from GWR indicated a significant spatial variation in the local parameter estimates for all the variables and an important reduction of the autocorrelation in the residuals of the GW linear model. Despite the fitting improvement of local models, GW regression, more than an alternative to "global" or traditional regression modelling, seems to be a valuable complement to explore the non-stationary relationships between the response variable and the explanatory variables. The synergy of global and local modelling provides insights into fire management and policy and helps further our understanding of the fire problem over large areas while at the same time recognizing its local character.

Advanced fitness landscape analysis and the performance of memetic algorithms.

PubMed

Merz, Peter

2004-01-01

Memetic algorithms (MAs) have demonstrated very effective in combinatorial optimization. This paper offers explanations as to why this is so by investigating the performance of MAs in terms of efficiency and effectiveness. A special class of MAs is used to discuss efficiency and effectiveness for local search and evolutionary meta-search. It is shown that the efficiency of MAs can be increased drastically with the use of domain knowledge. However, effectiveness highly depends on the structure of the problem. As is well-known, identifying this structure is made easier with the notion of fitness landscapes: the local properties of the fitness landscape strongly influence the effectiveness of the local search while the global properties strongly influence the effectiveness of the evolutionary meta-search. This paper also introduces new techniques for analyzing the fitness landscapes of combinatorial problems; these techniques focus on the investigation of random walks in the fitness landscape starting at locally optimal solutions as well as on the escape from the basins of attractions of current local optima. It is shown for NK-landscapes and landscapes of the unconstrained binary quadratic programming problem (BQP) that a random walk to another local optimum can be used to explain the efficiency of recombination in comparison to mutation. Moreover, the paper shows that other aspects like the size of the basins of attractions of local optima are important for the efficiency of MAs and a local search escape analysis is proposed. These simple analysis techniques have several advantages over previously proposed statistical measures and provide valuable insight into the behaviour of MAs on different kinds of landscapes.

Research on modified the estimates of NOx emissions combined the OMI and ground-based DOAS technique

NASA Astrophysics Data System (ADS)

Zhang, Qiong; Li*, Ang; Xie, Pinhua; Hu, Zhaokun; Wu, Fengcheng; Xu, Jin

2017-04-01

A new method to calibrate nitrogen dioxide (NO2) lifetimes and emissions from point sources using satellite measurements base on the mobile passive differential optical absorption spectroscopy (DOAS) and multi axis differential optical absorption spectroscopy (MAX-DOAS) is described. It is based on using the Exponentially-Modified Gaussian (EMG) fitting method to correct the line densities along the wind direction by fitting the mobile passive DOAS NO2 vertical column density (VCD). An effective lifetime and emission rate are then determined from the parameters of the fit. The obtained results were then compared with the results acquired by fitting OMI (Ozone Monitoring Instrument) NO2 using the above fitting method, the NOx emission rate was about 195.8mol/s, 160.6mol/s, respectively. The reason why the latter less than the former may be because the low spatial resolution of the satellite.

Electrical transport characteristics of single-layer organic devices from theory and experiment

NASA Astrophysics Data System (ADS)

Martin, S. J.; Walker, Alison B.; Campbell, A. J.; Bradley, D. D. C.

2005-09-01

An electrical model based on drift diffusion is described. We have explored systematically how the shape of the current density-voltage (J-V) curves is determined by the input parameters, information that isessential when deducing values of these parameters by fitting to experimental data for an ITO/PPV/Al organic light-emitting device (OLED), where ITO is shorthand for indium tin oxide and PPV is poly(phenylene vinylene). Our conclusion is that it is often possible to obtain a unique fit even with several parameters to fit. Our results allowing for a tunneling current show remarkable resemblance to experimental data before and after the contacts are conditioned. We have demonstrated our model on single-layer devices with ITO/PFO/Au and ITO/PEDOT/PFO/Au at room temperature and ITO/TPD/Al over temperatures from 130 to 290 K. PFO is shorthand for poly(9,9'-dialkyl-fluorene-2,7-dyl) and TPD is shorthand for N,N'-diphenyl-N,N'-bis(3-methylphenyl)1-1'-biphenyl-4,4'-diamine. Good fits to experimental data have been obtained, but in the case of the TPD device, only if a larger value for the relative permittivity ɛs than would be expected is used. We infer that a layer of dipoles at the ITO/TPD interface could be responsible for the observed J-V characteristics by locally causing changes in ɛs. The strong temperature dependence of the hole barrier height from fitting J-V characteristics to the experimental data may indicate that the temperature dependence of the thermionic emission model is incorrect.

Bonding in the first-row diatomic molecules within the local spin-density approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Painter, G.S.; Averill, F.W.

1982-08-15

The Hohenberg-Kohn-Sham density-functional equations in the local spin-density approximation (LSDA) have been solved with essentially no loss of accuracy for dimers of the first row of the Periodic Table with the use of a fully-self-consistent spin-polarized Gaussian-orbital approach. Spectroscopic constants (binding energies, equilibrium separations, and ground-state vibrational frequencies) have been derived from the calculated potential-energy curves. Intercomparison of results obtained using the exchange-correlation functionals of Slater (scaled exchange or X..cap alpha..), Gunnarsson and Lundqvist (GL), and Vosko, Wilk, and Nusair (VWN) permits assessment of the relative merits of each and serves to identify general shortcomings in the LSDA. Basic trendsmore » are similar for each functional, but the treatment of the spin dependence of the exchange-correlation energy in the GL and VWN functionals yields a variation of the binding energy across the series which is more systematic than that in the X..cap alpha.. approximation. Agreement between the present results and those of Dunlap, Connolly, and Sabin in the X..cap alpha.., approximation confirms the accuracy of the variational charge-density-fit procedure used in the latter work. The refinements in correlation treatment within the VWN functional are reflected in improvements in binding energies which are only slight for most dimers in the series. This behavior is attributed to the error remaining in the exchange channel within the LSDA and demonstrates the necessity for self-interaction corrections for more accurate binding-energy determinations. Within the current LSDA, absolute accuracies of the VWN functional for the first-row dimers are within 2.3 eV for binding energies, 0.07 a.u. for bond lengths, and approx.200 cm/sup -1/ for vibrational frequencies.« less

How does competition among wild type mosquitoes influence the performance of Aedes aegypti and dissemination of Wolbachia pipientis?

PubMed Central

de Oliveira, Suellen; Villela, Daniel Antunes Maciel; Dias, Fernando Braga Stehling; Moreira, Luciano Andrade

2017-01-01

Background Wolbachia has been deployed in several countries to reduce transmission of dengue, Zika and chikungunya viruses. During releases, Wolbachia-infected females are likely to lay their eggs in local available breeding sites, which might already be colonized by local Aedes sp. mosquitoes. Therefore, there is an urgent need to estimate the deleterious effects of intra and interspecific larval competition on mosquito life history traits, especially on the duration of larval development time, larval mortality and adult size. Methodology/principal findings Three different mosquito populations were used: Ae. aegypti infected with Wolbachia (wMelBr strain), wild Ae. aegypti and wild Ae. albopictus. A total of 21 treatments explored intra and interspecific larval competition with varying larval densities, species proportions and food levels. Each treatment had eight replicates with two distinct food levels: 0.25 or 0.50 g of Chitosan and fallen avocado leaves. Overall, overcrowding reduced fitness correlates of the three populations. Ae. albopictus larvae presented lower larval mortality, shorter development time to adult and smaller wing sizes than Ae. aegypti. The presence of Wolbachia had a slight positive effect on larval biology, since infected individuals had higher survivorship than uninfected Ae. aegypti larvae. Conclusions/significance In all treatments, Ae. albopictus outperformed both wild Ae. aegypti and the Wolbachia-infected group in larval competition, irrespective of larval density and the amount of food resources. The major force that can slow down Wolbachia invasion is the population density of wild mosquitoes. Given that Ae. aegypti currently dominates in Rio, in comparison with Ae. albopictus frequency, additional attention must be given to the population density of Ae. aegypti during releases to increase the likelihood of Wolbachia invasion. PMID:28991902

How stellar feedback simultaneously regulates star formation and drives outflows

NASA Astrophysics Data System (ADS)

Hayward, Christopher C.; Hopkins, Philip F.

2017-02-01

We present an analytic model for how momentum deposition from stellar feedback simultaneously regulates star formation and drives outflows in a turbulent interstellar medium (ISM). Because the ISM is turbulent, a given patch of ISM exhibits sub-patches with a range of surface densities. The high-density patches are 'pushed' by feedback, thereby driving turbulence and self-regulating local star formation. Sufficiently low-density patches, however, are accelerated to above the escape velocity before the region can self-adjust and are thus vented as outflows. When the gas fraction is ≳ 0.3, the ratio of the turbulent velocity dispersion to the circular velocity is sufficiently high that at any given time, of the order of half of the ISM has surface density less than the critical value and thus can be blown out on a dynamical time. The resulting outflows have a mass-loading factor (η ≡ dot{M}_{out}/M_{star }) that is inversely proportional to the gas fraction times the circular velocity. At low gas fractions, the star formation rate needed for local self-regulation, and corresponding turbulent Mach number, declines rapidly; the ISM is 'smoother', and it is actually more difficult to drive winds with large mass-loading factors. Crucially, our model predicts that stellar-feedback-driven outflows should be suppressed at z ≲ 1 in M⋆ ≳ 1010 M⊙ galaxies. This mechanism allows massive galaxies to exhibit violent outflows at high redshifts and then 'shut down' those outflows at late times, thereby enabling the formation of a smooth, extended thin stellar disc. We provide simple fitting functions for η that should be useful for sub-resolution and semi-analytic models.

Population-Level Density Dependence Influences the Origin and Maintenance of Parental Care

PubMed Central

Reyes, Elijah; Thrasher, Patsy; Bonsall, Michael B.; Klug, Hope

2016-01-01

Parental care is a defining feature of animal breeding systems. We now know that both basic life-history characteristics and ecological factors influence the evolution of care. However, relatively little is known about how these factors interact to influence the origin and maintenance of care. Here, we expand upon previous work and explore the relationship between basic life-history characteristics (stage-specific rates of mortality and maturation) and the fitness benefits associated with the origin and the maintenance of parental care for two broad ecological scenarios: the scenario in which egg survival is density dependent and the case in which adult survival is density dependent. Our findings suggest that high offspring need is likely critical in driving the origin, but not the maintenance, of parental care regardless of whether density dependence acts on egg or adult survival. In general, parental care is more likely to result in greater fitness benefits when baseline adult mortality is low if 1) egg survival is density dependent or 2) adult mortality is density dependent and mutant density is relatively high. When density dependence acts on egg mortality, low rates of egg maturation and high egg densities are less likely to lead to strong fitness benefits of care. However, when density dependence acts on adult mortality, high levels of egg maturation and increasing adult densities are less likely to maintain care. Juvenile survival has relatively little, if any, effect on the origin and maintenance of egg-only care. More generally, our results suggest that the evolution of parental care will be influenced by an organism’s entire life history characteristics, the stage at which density dependence acts, and whether care is originating or being maintained. PMID:27093056

Evaluation of reduced point charge models of proteins through Molecular Dynamics simulations: application to the Vps27 UIM-1-Ubiquitin complex.

PubMed

Leherte, Laurence; Vercauteren, Daniel P

2014-02-01

Reduced point charge models of amino acids are designed, (i) from local extrema positions in charge density distribution functions built from the Poisson equation applied to smoothed molecular electrostatic potential (MEP) functions, and (ii) from local maxima positions in promolecular electron density distribution functions. Corresponding charge values are fitted versus all-atom Amber99 MEPs. To easily generate reduced point charge models for protein structures, libraries of amino acid templates are built. The program GROMACS is used to generate stable Molecular Dynamics trajectories of an Ubiquitin-ligand complex (PDB: 1Q0W), under various implementation schemes, solvation, and temperature conditions. Point charges that are not located on atoms are considered as virtual sites with a nul mass and radius. The results illustrate how the intra- and inter-molecular H-bond interactions are affected by the degree of reduction of the point charge models and give directions for their implementation; a special attention to the atoms selected to locate the virtual sites and to the Coulomb-14 interactions is needed. Results obtained at various temperatures suggest that the use of reduced point charge models allows to probe local potential hyper-surface minima that are similar to the all-atom ones, but are characterized by lower energy barriers. It enables to generate various conformations of the protein complex more rapidly than the all-atom point charge representation. Copyright © 2013 Elsevier Inc. All rights reserved.

Origins of R2∗ and white matter

PubMed Central

Rudko, David A.; Klassen, L. Martyn; de Chickera, Sonali N.; Gati, Joseph S.; Dekaban, Gregory A.; Menon, Ravi S.

2014-01-01

Estimates of the apparent transverse relaxation rate () can be used to quantify important properties of biological tissue. Surprisingly, the mechanism of dependence on tissue orientation is not well understood. The primary goal of this paper was to characterize orientation dependence of in gray and white matter and relate it to independent measurements of two other susceptibility based parameters: the local Larmor frequency shift (fL) and quantitative volume magnetic susceptibility (Δχ). Through this comparative analysis we calculated scaling relations quantifying (reversible contribution to the transverse relaxation rate from local field inhomogeneities) in a voxel given measurements of the local Larmor frequency shift. is a measure of both perturber geometry and density and is related to tissue microstructure. Additionally, two methods (the Generalized Lorentzian model and iterative dipole inversion) for calculating Δχ were compared in gray and white matter. The value of Δχ derived from fitting the Generalized Lorentzian model was then connected to the observed orientation dependence using image-registered optical density measurements from histochemical staining. Our results demonstrate that the and fL of white and cortical gray matter are well described by a sinusoidal dependence on the orientation of the tissue and a linear dependence on the volume fraction of myelin in the tissue. In deep brain gray matter structures, where there is no obvious symmetry axis, and fL have no orientation dependence but retain a linear dependence on tissue iron concentration and hence Δχ. PMID:24374633

Spatially variable risk factors for malaria in a geographically heterogeneous landscape, western Kenya: an explorative study.

PubMed

Homan, Tobias; Maire, Nicolas; Hiscox, Alexandra; Di Pasquale, Aurelio; Kiche, Ibrahim; Onoka, Kelvin; Mweresa, Collins; Mukabana, Wolfgang R; Ross, Amanda; Smith, Thomas A; Takken, Willem

2016-01-04

Large reductions in malaria transmission and mortality have been achieved over the last decade, and this has mainly been attributed to the scale-up of long-lasting insecticidal bed nets and indoor residual spraying with insecticides. Despite these gains considerable residual, spatially heterogeneous, transmission remains. To reduce transmission in these foci, researchers need to consider the local demographical, environmental and social context, and design an appropriate set of interventions. Exploring spatially variable risk factors for malaria can give insight into which human and environmental characteristics play important roles in sustaining malaria transmission. On Rusinga Island, western Kenya, malaria infection was tested by rapid diagnostic tests during two cross-sectional surveys conducted 3 months apart in 3632 individuals from 790 households. For all households demographic data were collected by means of questionnaires. Environmental variables were derived using Quickbird satellite images. Analyses were performed on 81 project clusters constructed by a traveling salesman algorithm, each containing 50-51 households. A standard linear regression model was fitted containing multiple variables to determine how much of the spatial variation in malaria prevalence could be explained by the demographic and environmental data. Subsequently, a geographically-weighted regression (GWR) was performed assuming non-stationarity of risk factors. Special attention was taken to investigate the effect of residual spatial autocorrelation and local multicollinearity. Combining the data from both surveys, overall malaria prevalence was 24%. Scan statistics revealed two clusters which had significantly elevated numbers of malaria cases compared to the background prevalence across the rest of the study area. A multivariable linear model including environmental and household factors revealed that higher socioeconomic status, outdoor occupation and population density were associated with increased malaria risk. The local GWR model improved the model fit considerably and the relationship of malaria with risk factors was found to vary spatially over the island; in different areas of the island socio-economic status, outdoor occupation and population density were found to be positively or negatively associated with malaria prevalence. Identification of risk factors for malaria that vary geographically can provide insight into the local epidemiology of malaria. Examining spatially variable relationships can be a helpful tool in exploring which set of targeted interventions could locally be implemented. Supplementary malaria control may be directed at areas, which are identified as at risk. For instance, areas with many people that work outdoors at night may need more focus in terms of vector control. Trialregister.nl NTR3496-SolarMal, registered on 20 June 2012.

Ultralight gravitons with tiny electric dipole moment are seeping from the vacuum

NASA Astrophysics Data System (ADS)

Novikov, Evgeny A.

2016-05-01

Mass and electric dipole moment (EDM) of graviton, which is identified as dark matter particle (DMP), are estimated. This change the concept of dark matter and can help to explain the baryon asymmetry of the universe. The calculations are based on quantum modification of the general relativity (Qmoger) with two additional terms in the Einstein equations, which takes into account production/absorption of gravitons. In this theory, there are no Big Bang in the beginning (some local bangs during the evolution of the universe are probable), no critical density of the universe, no dark energy (no need in cosmological constant) and no inflation. The theory (without fitting) is in good quantitative agreement with cosmic data.

GPU-Accelerated Hybrid Algorithm for 3D Localization of Fluorescent Emitters in Dense Clusters

NASA Astrophysics Data System (ADS)

Jung, Yoon; Barsic, Anthony; Piestun, Rafael; Fakhri, Nikta

In stochastic switching-based super-resolution imaging, a random subset of fluorescent emitters are imaged and localized for each frame to construct a single high resolution image. However, the condition of non-overlapping point spread functions (PSFs) imposes constraints on experimental parameters. Recent development in post processing methods such as dictionary-based sparse support recovery using compressive sensing has shown up to an order of magnitude higher recall rate than single emitter fitting methods. However, the computational complexity of this approach scales poorly with the grid size and requires long runtime. Here, we introduce a fast and accurate compressive sensing algorithm for localizing fluorescent emitters in high density in 3D, namely sparse support recovery using Orthogonal Matching Pursuit (OMP) and L1-Homotopy algorithm for reconstructing STORM images (SOLAR STORM). SOLAR STORM combines OMP with L1-Homotopy to reduce computational complexity, which is further accelerated by parallel implementation using GPUs. This method can be used in a variety of experimental conditions for both in vitro and live cell fluorescence imaging.

Effects of Wavelength and Defect Density on the Efficiency of (In,Ga)N-Based Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Pristovsek, Markus; Bao, An; Oliver, Rachel A.; Badcock, Tom; Ali, Muhammad; Shields, Andrew

2017-06-01

We measure the electroluminescence of light-emitting diodes (LEDs) on substrates with low dislocation densities (LDD) at 106 cm-2 and low 108 cm-2 , and compare them to LEDs on substrates with high dislocation densities (HDD) closer to 1010 cm-2 . The external quantum efficiencies (EQEs) are fitted using the A B C model with and without localization. The nonradiative-recombination (NR) coefficient A is constant for HDD LEDs, indicating that the NR is dominated by dislocations at all wavelengths. However, A strongly increases for LDD LEDs by a factor of 20 when increasing the emission wavelength from 440 to 540 nm. We attribute this to an increased density of point defects due to the lower growth temperatures used for longer wavelengths. The radiative recombination coefficient B follows the squared wave-function overlap for all samples. Using the observed coefficients, we calculate the peak efficiency as a function of the wavelength. For HDD LEDs the change of wave-function overlap (i.e., B ) is sufficient to reduce the EQE as observed, while for LDD LEDs also the NR coefficient A must increase to explain the observed EQEs. Thus, reducing NR is important to improving the EQEs of green LEDs, but this cannot be achieved solely by reducing the dislocation density: point defects must also be addressed.

Estimation of heart rate and heart rate variability from pulse oximeter recordings using localized model fitting.

PubMed

Wadehn, Federico; Carnal, David; Loeliger, Hans-Andrea

2015-08-01

Heart rate variability is one of the key parameters for assessing the health status of a subject's cardiovascular system. This paper presents a local model fitting algorithm used for finding single heart beats in photoplethysmogram recordings. The local fit of exponentially decaying cosines of frequencies within the physiological range is used to detect the presence of a heart beat. Using 42 subjects from the CapnoBase database, the average heart rate error was 0.16 BPM and the standard deviation of the absolute estimation error was 0.24 BPM.

Curve fitting of the corporate recovery rates: the comparison of Beta distribution estimation and kernel density estimation.

PubMed

Chen, Rongda; Wang, Ze

2013-01-01

Recovery rate is essential to the estimation of the portfolio's loss and economic capital. Neglecting the randomness of the distribution of recovery rate may underestimate the risk. The study introduces two kinds of models of distribution, Beta distribution estimation and kernel density distribution estimation, to simulate the distribution of recovery rates of corporate loans and bonds. As is known, models based on Beta distribution are common in daily usage, such as CreditMetrics by J.P. Morgan, Portfolio Manager by KMV and Losscalc by Moody's. However, it has a fatal defect that it can't fit the bimodal or multimodal distributions such as recovery rates of corporate loans and bonds as Moody's new data show. In order to overcome this flaw, the kernel density estimation is introduced and we compare the simulation results by histogram, Beta distribution estimation and kernel density estimation to reach the conclusion that the Gaussian kernel density distribution really better imitates the distribution of the bimodal or multimodal data samples of corporate loans and bonds. Finally, a Chi-square test of the Gaussian kernel density estimation proves that it can fit the curve of recovery rates of loans and bonds. So using the kernel density distribution to precisely delineate the bimodal recovery rates of bonds is optimal in credit risk management.

Curve Fitting of the Corporate Recovery Rates: The Comparison of Beta Distribution Estimation and Kernel Density Estimation

PubMed Central

Chen, Rongda; Wang, Ze

2013-01-01

Recovery rate is essential to the estimation of the portfolio’s loss and economic capital. Neglecting the randomness of the distribution of recovery rate may underestimate the risk. The study introduces two kinds of models of distribution, Beta distribution estimation and kernel density distribution estimation, to simulate the distribution of recovery rates of corporate loans and bonds. As is known, models based on Beta distribution are common in daily usage, such as CreditMetrics by J.P. Morgan, Portfolio Manager by KMV and Losscalc by Moody’s. However, it has a fatal defect that it can’t fit the bimodal or multimodal distributions such as recovery rates of corporate loans and bonds as Moody’s new data show. In order to overcome this flaw, the kernel density estimation is introduced and we compare the simulation results by histogram, Beta distribution estimation and kernel density estimation to reach the conclusion that the Gaussian kernel density distribution really better imitates the distribution of the bimodal or multimodal data samples of corporate loans and bonds. Finally, a Chi-square test of the Gaussian kernel density estimation proves that it can fit the curve of recovery rates of loans and bonds. So using the kernel density distribution to precisely delineate the bimodal recovery rates of bonds is optimal in credit risk management. PMID:23874558

Positive density-dependent growth supports costs sharing hypothesis and population density sensing in a manipulative parasite.

PubMed

Gopko, Mikhail; Mikheev, Victor N; Taskinen, Jouni

2017-09-01

Parasites manipulate their hosts' phenotype to increase their own fitness. Like any evolutionary adaptation, parasitic manipulations should be costly. Though it is difficult to measure costs of the manipulation directly, they can be evaluated using an indirect approach. For instance, theory suggests that as the parasite infrapopulation grows, the investment of individual parasites in host manipulation decreases, because of cost sharing. Another assumption is that in environments where manipulation does not pay off for the parasite, it can decrease its investment in the manipulation to save resources. We experimentally infected rainbow trout Oncorhynchus mykiss with the immature larvae of the trematode Diplostomum pseudospathaceum, to test these assumptions. Immature D. pseudospathaceum metacercariae are known for their ability to manipulate the behaviour of their host enhancing its anti-predator defenses to avoid concomitant predation. We found that the growth rate of individual parasites in rainbow trout increased with the infrapopulation size (positive density-dependence) suggesting cost sharing. Moreover, parasites adjusted their growth to the intensity of infection within the eye lens where they were localized suggesting population density sensing. Results of this study support the hypothesis that macroparasites can adjust their growth rate and manipulation investment according to cost sharing level and infrapopulation size.

Building development and roads: implications for the distribution of stone curlews across the Brecks.

PubMed

Clarke, Ralph T; Liley, Durwyn; Sharp, Joanna M; Green, Rhys E

2013-01-01

Substantial new housing and infrastructure development planned within England has the potential to conflict with the nature conservation interests of protected sites. The Breckland area of eastern England (the Brecks) is designated as a Special Protection Area for a number of bird species, including the stone curlew (for which it holds more than 60% of the UK total population). We explore the effect of buildings and roads on the spatial distribution of stone curlew nests across the Brecks in order to inform strategic development plans to avoid adverse effects on such European protected sites. Using data across all years (and subsets of years) over the period 1988-2006 but restricted to habitat areas of arable land with suitable soils, we assessed nest density in relation to the distances to nearest settlements and to major roads. Measures of the local density of nearby buildings, roads and traffic levels were assessed using normal kernel distance-weighting functions. Quasi-Poisson generalised linear mixed models allowing for spatial auto-correlation were fitted. Significantly lower densities of stone curlew nests were found at distances up to 1500m from settlements, and distances up to 1000m or more from major (trunk) roads. The best fitting models involved optimally distance-weighted variables for the extent of nearby buildings and the trunk road traffic levels. The results and predictions from this study of past data suggests there is cause for concern that future housing development and associated road infrastructure within the Breckland area could have negative impacts on the nesting stone curlew population. Given the strict legal protection afforded to the SPA the planning and conservation bodies have subsequently agreed precautionary restrictions on building development within the distances identified and used the modelling predictions to agree mitigation measures for proposed trunk road developments.

Local and average structure of Mn- and La-substituted BiFeO3

NASA Astrophysics Data System (ADS)

Jiang, Bo; Selbach, Sverre M.

2017-06-01

The local and average structure of solid solutions of the multiferroic perovskite BiFeO3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space group symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.

Local and average structure of Mn- and La-substituted BiFeO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Bo; Selbach, Sverre M.

2017-06-01

The local and average structure of solid solutions of the multiferroic perovskite BiFeO 3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average experimental structure is determined by Rietveld refinement and the local structure by total scattering data analyzed in real space with the pair distribution function (PDF) method. With equal concentrations of La on the Bi site or Mn on the Fe site, La causes larger structural distortions than Mn. Structural models based on DFT relaxed geometry give an improved fit to experimental PDFs compared to models constrained by the space groupmore » symmetry. Berry phase calculations predict a higher ferroelectric polarization than the experimental literature values, reflecting that structural disorder is not captured in either average structure space group models or DFT calculations with artificial long range order imposed by periodic boundary conditions. Only by including point defects in a supercell, here Bi vacancies, can DFT calculations reproduce the literature results on the structure and ferroelectric polarization of Mn-substituted BiFeO 3. The combination of local and average structure sensitive experimental methods with DFT calculations is useful for illuminating the structure-property-composition relationships in complex functional oxides with local structural distortions.« less

EEG minimum-norm estimation compared with MEG dipole fitting in the localization of somatosensory sources at S1.

PubMed

Komssi, S; Huttunen, J; Aronen, H J; Ilmoniemi, R J

2004-03-01

Dipole models, which are frequently used in attempts to solve the electromagnetic inverse problem, require explicit a priori assumptions about the cerebral current sources. This is not the case for solutions based on minimum-norm estimates. In the present study, we evaluated the spatial accuracy of the L2 minimum-norm estimate (MNE) in realistic noise conditions by assessing its ability to localize sources of evoked responses at the primary somatosensory cortex (SI). Multichannel somatosensory evoked potentials (SEPs) and magnetic fields (SEFs) were recorded in 5 subjects while stimulating the median and ulnar nerves at the left wrist. A Tikhonov-regularized L2-MNE, constructed on a spherical surface from the SEP signals, was compared with an equivalent current dipole (ECD) solution obtained from the SEFs. Primarily tangential current sources accounted for both SEP and SEF distributions at around 20 ms (N20/N20m) and 70 ms (P70/P70m), which deflections were chosen for comparative analysis. The distances between the locations of the maximum current densities obtained from MNE and the locations of ECDs were on the average 12-13 mm for both deflections and nerves stimulated. In accordance with the somatotopical order of SI, both the MNE and ECD tended to localize median nerve activation more laterally than ulnar nerve activation for the N20/N20m deflection. Simulation experiments further indicated that, with a proper estimate of the source depth and with a good fit of the head model, the MNE can reach a mean accuracy of 5 mm in 0.2-microV root-mean-square noise. When compared with previously reported localizations based on dipole modelling of SEPs, it appears that equally accurate localization of S1 can be obtained with the MNE. MNE can be used to verify parametric source modelling results. Having a relatively good localization accuracy and requiring minimal assumptions, the MNE may be useful for the localization of poorly known activity distributions and for tracking activity changes between brain areas as a function of time.

Does osteoporosis reduce the primary tilting stability of cementless acetabular cups?

PubMed

von Schulze Pellengahr, Christoph; von Engelhardt, Lars V; Wegener, Bernd; Müller, Peter E; Fottner, Andreas; Weber, Patrick; Ackermann, Ole; Lahner, Matthias; Teske, Wolfram

2015-04-21

Cementless hip cups need sufficient primary tilting stability to achieve osseointegration. The aim of the study was to assess differences of the primary implant stability in osteoporotic bone and in bone with normal bone density. To assess the influence of different cup designs, two types of threaded and two types of press-fit cups were tested. The maximum tilting moment for two different cementless threaded cups and two different cementless press-fit cups was determined in macerated human hip acetabuli with reduced (n=20) and normal bone density (n=20), determined using Q-CT. The tilting moments for each cup were determined five times in the group with reduced bone density and five times in the group with normal bone density, and the respective average values were calculated. The mean maximum extrusion force of the threaded cup Zintra was 5670.5 N (max. tilting moment 141.8 Nm) in bone with normal density and.5748.3 N (max. tilting moment 143.7 Nm) in osteoporotic bone. For the Hofer Imhof (HI) threaded cup it was 7681.5 N (192.0 Nm) in bone with normal density and 6828.9 N (max. tilting moment 170.7 Nm) in the group with osteoporotic bone. The mean maximum extrusion force of the macro-textured press-fit cup Metallsockel CL was 3824.6 N (max. tilting moment 95.6 Nm) in bone with normal and 2246.2 N (max. tilting moment 56.2 Nm) in osteoporotic bone. For the Monoblock it was 1303.8 N (max. tilting moment 32.6 Nm) in normal and 1317 N (max. tilting moment 32.9 Nm) in osteoporotic bone. There was no significance. A reduction of the maximum tilting moment in osteoporotic bone of the ESKA press-fit cup Metallsockel CL was noticed. Results on macerated bone specimens showed no statistically significant reduction of the maximum tilting moment in specimens with osteoporotic bone density compared to normal bone, neither for threaded nor for the press-fit cups. With the limitation that the results were obtained using macerated bone, we could not detect any restrictions for the clinical indication of the examined cementless cups in osteoporotic bone.

The role of male harassment on female fitness for the dengue vector mosquito Aedes aegypti.

PubMed

Helinski, Michelle E H; Harrington, Laura C

2012-08-01

Sexual harassment studies in insects suggest that females can incur several kinds of costs from male harassment and mating. Here, we examined direct and indirect costs of male harassment on components of female fitness in the predominantly monandrous mosquito Aedes aegypti . To disentangle the costs of harassment versus the costs of mating, we held females at a low or high density with males whose claspers were modified to prevent insemination, and compared these to females held with normal males and to those held with females or alone. A reduced longevity was observed when females were held under high density conditions with males or females, regardless if male claspers had been modified. There was no consistent effect of harassment on female fecundity. Net reproductive rate (R 0 ) was higher in females held at low density with normal males compared to females held with males in the other treatments, even though only a small number of females showed direct evidence of remating. Indirect costs and benefits that were not due to harassment alone were observed. Daughters of females held with normal males at high density had reduced longevity compared to daughters from females held without conspecifics. However, their fitness (R 0 ) was higher compared to females in all other treatments. Overall, our results indicate that A. aegypti females do not suffer a fitness cost from harassment of males when kept at moderate densities, and they suggest the potential for benefits obtained from ejaculate components.

Inclusion of the fitness sharing technique in an evolutionary algorithm to analyze the fitness landscape of the genetic code adaptability.

PubMed

Santos, José; Monteagudo, Ángel

2017-03-27

The canonical code, although prevailing in complex genomes, is not universal. It was shown the canonical genetic code superior robustness compared to random codes, but it is not clearly determined how it evolved towards its current form. The error minimization theory considers the minimization of point mutation adverse effect as the main selection factor in the evolution of the code. We have used simulated evolution in a computer to search for optimized codes, which helps to obtain information about the optimization level of the canonical code in its evolution. A genetic algorithm searches for efficient codes in a fitness landscape that corresponds with the adaptability of possible hypothetical genetic codes. The lower the effects of errors or mutations in the codon bases of a hypothetical code, the more efficient or optimal is that code. The inclusion of the fitness sharing technique in the evolutionary algorithm allows the extent to which the canonical genetic code is in an area corresponding to a deep local minimum to be easily determined, even in the high dimensional spaces considered. The analyses show that the canonical code is not in a deep local minimum and that the fitness landscape is not a multimodal fitness landscape with deep and separated peaks. Moreover, the canonical code is clearly far away from the areas of higher fitness in the landscape. Given the non-presence of deep local minima in the landscape, although the code could evolve and different forces could shape its structure, the fitness landscape nature considered in the error minimization theory does not explain why the canonical code ended its evolution in a location which is not an area of a localized deep minimum of the huge fitness landscape.

A spatially explicit approach to the study of socio-demographic inequality in the spatial distribution of trees across Boston neighborhoods

PubMed Central

Duncan, Dustin T.; Kawachi, Ichiro; Kum, Susan; Aldstadt, Jared; Piras, Gianfranco; Matthews, Stephen A.; Arbia, Giuseppe; Castro, Marcia C.; White, Kellee; Williams, David R.

2017-01-01

The racial/ethnic and income composition of neighborhoods often influences local amenities, including the potential spatial distribution of trees, which are important for population health and community wellbeing, particularly in urban areas. This ecological study used spatial analytical methods to assess the relationship between neighborhood socio-demographic characteristics (i.e. minority racial/ethnic composition and poverty) and tree density at the census tact level in Boston, Massachusetts (US). We examined spatial autocorrelation with the Global Moran’s I for all study variables and in the ordinary least squares (OLS) regression residuals as well as computed Spearman correlations non-adjusted and adjusted for spatial autocorrelation between socio-demographic characteristics and tree density. Next, we fit traditional regressions (i.e. OLS regression models) and spatial regressions (i.e. spatial simultaneous autoregressive models), as appropriate. We found significant positive spatial autocorrelation for all neighborhood socio-demographic characteristics (Global Moran’s I range from 0.24 to 0.86, all P=0.001), for tree density (Global Moran’s I=0.452, P=0.001), and in the OLS regression residuals (Global Moran’s I range from 0.32 to 0.38, all P<0.001). Therefore, we fit the spatial simultaneous autoregressive models. There was a negative correlation between neighborhood percent non-Hispanic Black and tree density (rS=−0.19; conventional P-value=0.016; spatially adjusted P-value=0.299) as well as a negative correlation between predominantly non-Hispanic Black (over 60% Black) neighborhoods and tree density (rS=−0.18; conventional P-value=0.019; spatially adjusted P-value=0.180). While the conventional OLS regression model found a marginally significant inverse relationship between Black neighborhoods and tree density, we found no statistically significant relationship between neighborhood socio-demographic composition and tree density in the spatial regression models. Methodologically, our study suggests the need to take into account spatial autocorrelation as findings/conclusions can change when the spatial autocorrelation is ignored. Substantively, our findings suggest no need for policy intervention vis-à-vis trees in Boston, though we hasten to add that replication studies, and more nuanced data on tree quality, age and diversity are needed. PMID:29354668

Evaluation of interference fit and bone damage of an uncemented femoral knee implant.

PubMed

Berahmani, Sanaz; Hendriks, Maartje; de Jong, Joost J A; van den Bergh, Joop P W; Maal, Thomas; Janssen, Dennis; Verdonschot, Nico

2018-01-01

During implantation of an uncemented femoral knee implant, press-fit interference fit provides the primary stability. It is assumed that during implantation a combination of elastic and plastic deformation and abrasion of the bone will occur, but little is known about what happens at the bone-implant interface and how much press-fit interference fit is eventually achieved. Five cadaveric femora were prepared and implantation was performed by an experienced surgeon. Micro-CT- and conventional CT-scans were obtained pre- and post-implantation for geometrical measurements and to measure bone mineral density. Additionally, the position of the implant with respect to the bone was determined by optical scanning of the reconstructions. By measuring the differences in surface geometry, assessments were made of the cutting error, the actual interference fit, the amount of bone damage, and the effective interference fit. Our analysis showed an average cutting error of 0.67mm (SD 0.17mm), which pointed mostly towards bone under-resections. We found an average actual AP interference fit of 1.48mm (SD 0.27mm), which was close to the nominal value of 1.5mm. We observed combinations of bone damage and elastic deformation in all bone specimens, which showed a trend to be related with bone density. Higher bone density tended to lead to lower bone damage and higher elastic deformation. The results of the current study indicate different factors that interact while implanting an uncemented femoral knee component. This knowledge can be used to fine-tune design criteria of femoral components to achieve adequate primary stability for all patients. Copyright © 2017 Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Staring, M., E-mail: m.staring@lumc.nl; Bakker, M. E.; Shamonin, D. P.

Purpose: Whole lung densitometry on chest CT images is an accepted method for measuring tissue destruction in patients with pulmonary emphysema in clinical trials. Progression measurement is required for evaluation of change in health condition and the effect of drug treatment. Information about the location of emphysema progression within the lung may be important for the correct interpretation of drug efficacy, or for determining a treatment plan. The purpose of this study is therefore to develop and validate methods that enable the local measurement of lung density changes, which requires proper modeling of the effect of respiration on density. Methods:more » Four methods, all based on registration of baseline and follow-up chest CT scans, are compared. The first naïve method subtracts registered images. The second employs the so-called dry sponge model, where volume correction is performed using the determinant of the Jacobian of the transformation. The third and the fourth introduce a novel adaptation of the dry sponge model that circumvents its constant-mass assumption, which is shown to be invalid. The latter two methods require a third CT scan at a different inspiration level to estimate the patient-specific density-volume slope, where one method employs a global and the other a local slope. The methods were validated on CT scans of a phantom mimicking the lung, where mass and volume could be controlled. In addition, validation was performed on data of 21 patients with pulmonary emphysema. Results: The image registration method was optimized leaving a registration error below half the slice increment (median 1.0 mm). The phantom study showed that the locally adapted slope model most accurately measured local progression. The systematic error in estimating progression, as measured on the phantom data, was below 2 gr/l for a 70 ml (6%) volume difference, and 5 gr/l for a 210 ml (19%) difference, if volume correction was applied. On the patient data an underlying linearity assumption relating lung volume change with density change was shown to hold (fitR{sup 2} = 0.94), and globalized versions of the local models are consistent with global results (R{sup 2} of 0.865 and 0.882 for the two adapted slope models, respectively). Conclusions: In conclusion, image matching and subsequent analysis of differences according to the proposed lung models (i) has good local registration accuracy on patient data, (ii) effectively eliminates a dependency on inspiration level at acquisition time, (iii) accurately predicts progression in phantom data, and (iv) is reasonably consistent with global results in patient data. It is therefore a potential future tool for assessing local emphysema progression in drug evaluation trials and in clinical practice.« less

Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory

NASA Astrophysics Data System (ADS)

Frandsen, Benjamin A.; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J.; Staunton, Julie B.; Billinge, Simon J. L.

2016-05-01

We present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ˜1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominated by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. The Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.

Effect of conductor geometry on source localization: Implications for epilepsy studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schlitt, H.; Heller, L.; Best, E.

1994-07-01

We shall discuss the effects of conductor geometry on source localization for applications in epilepsy studies. The most popular conductor model for clinical MEG studies is a homogeneous sphere. However, several studies have indicated that a sphere is a poor model for the head when the sources are deep, as is the case for epileptic foci in the mesial temporal lobe. We believe that replacing the spherical model with a more realistic one in the inverse fitting procedure will improve the accuracy of localizing epileptic sources. In order to include a realistic head model in the inverse problem, we mustmore » first solve the forward problem for the realistic conductor geometry. We create a conductor geometry model from MR images, and then solve the forward problem via a boundary integral equation for the electric potential due to a specified primary source. One the electric potential is known, the magnetic field can be calculated directly. The most time-intensive part of the problem is generating the conductor model; fortunately, this needs to be done only once for each patient. It takes little time to change the primary current and calculate a new magnetic field for use in the inverse fitting procedure. We present the results of a series of computer simulations in which we investigate the localization accuracy due to replacing the spherical model with the realistic head model in the inverse fitting procedure. The data to be fit consist of a computer generated magnetic field due to a known current dipole in a realistic head model, with added noise. We compare the localization errors when this field is fit using a spherical model to the fit using a realistic head model. Using a spherical model is comparable to what is usually done when localizing epileptic sources in humans, where the conductor model used in the inverse fitting procedure does not correspond to the actual head.« less

Predation and nutrients drive population declines in breeding waders.

PubMed

Møller, Anders Pape; Thorup, Ole; Laursen, Karsten

2018-04-20

Allee effects are defined as a decline in per capita fitness at low population density. We hypothesized that predation reduces population size of breeding waders and thereby the efficiency of predator deterrence, while total nitrogen through its effects on primary and secondary productivity increases population size. Therefore, nest predation could have negative consequences for population size because nest failure generally results in breeding dispersal and hence reduced local population density. To test these predictions, we recorded nest predation in five species of waders for 4,745 nests during 1987-2015 at the nature reserve Tipperne, Denmark. Predation rates were generally negatively related to conspecific and heterospecific population density, but positively related to overall population density of the entire wader community. Nest predation and population density were related to ground water level, management (grazing and mowing), and nutrients. High nest predation with a time lag of one year resulted in low overall breeding population density, while high nutrient levels resulted in higher population density. These two factors accounted for 86% of the variance in population size, presumably due to effects of nest predation on emigration, while nutrient levels increased the level of vegetation cover and the abundance of food in the surrounding brackish water. These findings are consistent with the hypothesis that predation may reduce population density through negative density dependence, while total nitrogen at adjacent shallow water may increase population size. Nest predation rates were reduced by high ground water level in March, grazing by cattle and mowing that affected access to and susceptibility of nests to predators. These effects can be managed to benefit breeding waders. © 2018 by the Ecological Society of America.

Density-Dependent Natal Dispersal Patterns in a Leopard Population Recovering from Over-Harvest

PubMed Central

Fattebert, Julien; Balme, Guy; Dickerson, Tristan; Slotow, Rob; Hunter, Luke

2015-01-01

Natal dispersal enables population connectivity, gene flow and metapopulation dynamics. In polygynous mammals, dispersal is typically male-biased. Classically, the ‘mate competition’, ‘resource competition’ and ‘resident fitness’ hypotheses predict density-dependent dispersal patterns, while the ‘inbreeding avoidance’ hypothesis posits density-independent dispersal. In a leopard (Panthera pardus) population recovering from over-harvest, we investigated the effect of sex, population density and prey biomass, on age of natal dispersal, distance dispersed, probability of emigration and dispersal success. Over an 11-year period, we tracked 35 subadult leopards using VHF and GPS telemetry. Subadult leopards initiated dispersal at 13.6 ± 0.4 months. Age at commencement of dispersal was positively density-dependent. Although males (11.0 ± 2.5 km) generally dispersed further than females (2.7 ± 0.4 km), some males exhibited opportunistic philopatry when the population was below capacity. All 13 females were philopatric, while 12 of 22 males emigrated. Male dispersal distance and emigration probability followed a quadratic relationship with population density, whereas female dispersal distance was inversely density-dependent. Eight of 12 known-fate females and 5 of 12 known-fate male leopards were successful in settling. Dispersal success did not vary with population density, prey biomass, and for males, neither between dispersal strategies (philopatry vs. emigration). Females formed matrilineal kin clusters, supporting the resident fitness hypothesis. Conversely, mate competition appeared the main driver for male leopard dispersal. We demonstrate that dispersal patterns changed over time, i.e. as the leopard population density increased. We conclude that conservation interventions that facilitated local demographic recovery in the study area also restored dispersal patterns disrupted by unsustainable harvesting, and that this indirectly improved connectivity among leopard populations over a larger landscape. PMID:25875293

Bone density and functional results after femoral revision with a cementless press-fit stem.

PubMed

Canovas, F; Roche, O; Girard, J; Bonnomet, F; Goldschild, M; Le Béguec, P

2015-05-01

The influence of radiographic bone density changes in the area surrounding a total hip arthroplasty (THA) revision with a cementless press-fit stem is unknown, notably in terms of functional results. We have therefore conducted a study aiming to (1) propose a radiographic method to assess bone density, (2) measure the functional effects of reduced bone density, and (3) determine the factors contributing to these modifications. A reduction in radiographic bone density has a negative influence on the functional result after revision using a cementless press-fit stem. We retrospectively assessed 150 THA revisions at a mean follow-up of 6.3 ± 3.2 years (range, 2-15 years). The clinical assessment was based on the Harris Hip Score. Bone density modifications were measured radiographically and the method was evaluated. The change in bone density was classified into two groups: (1) bone density not reduced or < 2 Gruen zones (118 cases [79%]); (2) bone density reduced ≥ 2 zones (32 cases [21%]). The variables showing a potential influence were the Cortical Index (CI), the type of primary stability with the press-fit system, and the femoral implant length. Inter- and intraobserver reliability of radiographic bone density measurement was evaluated as moderate or good (Kappa, 0.58; 0.60 and 0.67, respectively). For the Harris Hip Score at follow-up, there was a borderline statistical relation between stages 1 and 2: for the 118 stage 1 patients, this score was 83.62 ± 11.54 (range, 27-99) versus 78.34 ± 15.98 (range, 62-91) for stage 2 patients (P = 0.09). A CI ≤ 0.44 showed mediocre bone quality contributing to decreased bone density (P < 0.02). On the other hand, there was no statistically significant relation with the type of primary fixation (P = 0.34) or the length of the implant (P = 0.23). A cementless revision femoral stem can induce a reduction in bone density with possible functional effects. The negative role played by bone scarcity on the functional score is confirmed, and even though the difference is not statistically significant, we suggest using a short stem when this is possible. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

The local stellar velocity distribution of the Galaxy. Galactic structure and potential

NASA Astrophysics Data System (ADS)

Bienaymé, O.

1999-01-01

The velocity distribution of neighbouring stars is deduced from the Hipparcos proper motions. We have used a classical Schwarzschild decomposition and also developed a dynamical model for quasi-exponential stellar discs. This model is a 3-D derivation of Shu's model in the framework of Stäckel potentials with three integrals of motion. We determine the solar motion relative to the local standard of rest (LSR) (U_sun=9.7+/-0.3kms , V_sun=5.2+/-1.0kms and W_sun=6.7+/-0.2kms ), the density and kinematic radial gradients, as well as the local slope of the velocity curve. We find out that the scale density length of the Galaxy is 1.8+/-0.2kpc . We measure a large kinematic scale length for blue (young) stars, R_{sigma_r }=17+/-4kpc , while for red stars (predominantly old) we find R_{sigma_r }=9.7+/-0.8kpc (or R_{sigma_r (2}=4.8+/-0.4kpc ) ). From the stellar disc dynamical model, we determine explicitly the link between the tangential-vertical velocity (v_theta , v_z) coupling and the local shape of the potential. Using a restricted sample of 3-D velocity data, we measure z_o, the focus of the spheroidal coordinate system defining the best fitted Stäckel potential. The parameter z_o is related to the tilt of the velocity ellipsoid and more fundamentally to the mass gradient in the galactic disc. This parameter is found to be 5.7+/-1.4kpc . This implies that the galactic potential is not extremely flat and that the dark matter component is not confined in the galactic plane. Based on data from the Hipparcos astrometry satellite.

R{sub AA} of J/psi near midrapidity in heavy ion collisions at sq root(s{sub NN})=200 GeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Taesoo; Park, Woosung; Lee, Su Houng

2010-03-15

We build up a model to reproduce the experimentally measured R{sub AA} of J/psi near midrapidty in an Au+Au collision at sq root(s{sub NN})=200 GeV. The model takes into account the J/psi suppression from the quark-gluon plasma and hadron gas as well as the nuclear absorption of primordial charmonia and the regeneration effects at the hadronization stage and hence is a generalization of the two-component model introduced by Grandchamp and Rapp. The improvements in this work are twofold; the addition of the initial local temperature profile and a consistent use of QCD next-to-leading order (NLO) formula for both the dissociationmore » cross section in the hadron gas and the thermal decay widths in the quark-gluon plasma for the charmonium states. The initial local temperature profile is determined from the assumption that the local entropy density is proportional to a formula involving the number densities of the number of participants and of the binary collisions that reproduces the multiplicities of charged particles at chemical freeze-out. The initial local temperature profile brings about a kink in the R{sub AA} curve due to the initial melting of J/psi. The initially formed fireball, composed of weakly interacting quarks and gluons with thermal masses that are extracted from lattice QCD, follows an isentropic expansion with cylindrical symmetry. The fit reproduces well the Au+Au as well as the Cu+Cu data. The same method is applied to predict the R{sub AA} expected from the Pb+Pb collision at Large Hadron Collider (LHC) energy.« less

A material-sparing method for simultaneous determination of true density and powder compaction properties--aspartame as an example.

PubMed

Sun, Changquan Calvin

2006-12-01

True density results for a batch of commercial aspartame are highly variable when helium pycnometry is used. Alternatively, the true density of the problematic aspartame lot was obtained by fitting tablet density versus pressure data. The fitted true density was in excellent agreement with that predicted from single crystal structure. Tablet porosity was calculated from the true density and tablet apparent density. After making the necessary measurements for calculating tablet apparent density, the breaking force of each intact tablet was measured and tensile strength was calculated. With the knowledge of compaction pressure, tablet porosity and tensile strength, powder compaction properties were characterized using tabletability (tensile strength versus pressure), compactibility (tensile strength versus porosity), compressibility (porosity versus pressure) and Heckel analysis. Thus, a wealth of additional information on the compaction properties of the powder was obtained through little added work. A total of approximately 4 g of powder was used in this study. Depending on the size of tablet tooling, tablet thickness and true density, 2-10 g of powder would be sufficient for characterizing most pharmaceutical powders.

Hybrid active contour model for inhomogeneous image segmentation with background estimation

NASA Astrophysics Data System (ADS)

Sun, Kaiqiong; Li, Yaqin; Zeng, Shan; Wang, Jun

2018-03-01

This paper proposes a hybrid active contour model for inhomogeneous image segmentation. The data term of the energy function in the active contour consists of a global region fitting term in a difference image and a local region fitting term in the original image. The difference image is obtained by subtracting the background from the original image. The background image is dynamically estimated from a linear filtered result of the original image on the basis of the varying curve locations during the active contour evolution process. As in existing local models, fitting the image to local region information makes the proposed model robust against an inhomogeneous background and maintains the accuracy of the segmentation result. Furthermore, fitting the difference image to the global region information makes the proposed model robust against the initial contour location, unlike existing local models. Experimental results show that the proposed model can obtain improved segmentation results compared with related methods in terms of both segmentation accuracy and initial contour sensitivity.

THE EVOLUTION OF EARLY- AND LATE-TYPE GALAXIES IN THE COSMIC EVOLUTION SURVEY UP TO z {approx} 1.2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pannella, Maurilio; Gabasch, Armin; Drory, Niv

2009-08-10

The Cosmic Evolution Survey (COSMOS) allows for the first time a highly significant census of environments and structures up to redshift 1, as well as a full morphological description of the galaxy population. In this paper we present a study aimed to constrain the evolution, in the redshift range 0.2 < z < 1.2, of the mass content of different morphological types and its dependence on the environmental density. We use a deep multicolor catalog, covering an area of {approx}0.7 deg{sup 2} inside the COSMOS field, with accurate photometric redshifts (i {approx}< 26.5 and {delta}z/(z {sub spec} + 1) {approx}more » 0.035). We estimate galaxy stellar masses by fitting the multicolor photometry to a grid of composite stellar population models. We quantitatively describe the galaxy morphology by fitting point-spread function convolved Sersic profiles to the galaxy surface brightness distributions down to F814 = 24 mag for a sample of 41,300 objects. We confirm an evolution of the morphological mix with redshift: the higher the redshift the more disk-dominated galaxies become important. We find that the morphological mix is a function of the local comoving density: the morphology density relation extends up to the highest redshift explored. The stellar mass function of disk-dominated galaxies is consistent with being constant with redshift. Conversely, the stellar mass function of bulge-dominated systems shows a decline in normalization with redshift. Such different behaviors of late-types and early-types stellar mass functions naturally set the redshift evolution of the transition mass. We find a population of relatively massive, early-type galaxies, having high specific star formation rate (SSFR) and blue colors which live preferentially in low-density environments. The bulk of massive (>7 x 10{sup 10} M {sub sun}) early-type galaxies have similar characteristic ages, colors, and SSFRs independently of the environment they belong to, with those hosting the oldest stars in the universe preferentially belonging to the highest density regions. The whole catalog including morphological information and stellar mass estimates analyzed in this work is made publicly available.« less

Calculation of phonon dispersion relation using new correlation functional

NASA Astrophysics Data System (ADS)

Jitropas, Ukrit; Hsu, Chung-Hao

2017-06-01

To extend the use of Local Density Approximation (LDA), a new analytical correlation functional is introduced. Correlation energy is an essential ingredient within density functional theory and used to determine ground state energy and other properties including phonon dispersion relation. Except for high and low density limit, the general expression of correlation energy is unknown. The approximation approach is therefore required. The accuracy of the modelling system depends on the quality of correlation energy approximation. Typical correlation functionals used in LDA such as Vosko-Wilk-Nusair (VWN) and Perdew-Wang (PW) were obtained from parameterizing the near-exact quantum Monte Carlo data of Ceperley and Alder. These functionals are presented in complex form and inconvenient to implement. Alternatively, the latest published formula of Chachiyo correlation functional provides a comparable result for those much more complicated functionals. In addition, it provides more predictive power based on the first principle approach, not fitting functionals. Nevertheless, the performance of Chachiyo formula for calculating phonon dispersion relation (a key to the thermal properties of materials) has not been tested yet. Here, the implementation of new correlation functional to calculate phonon dispersion relation is initiated. The accuracy and its validity will be explored.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Migunov, V., E-mail: v.migunov@fz-juelich.de; Dunin-Borkowski, R. E.; London, A.

The one-dimensional charge density distribution along an electrically biased Fe atom probe needle is measured using a model-independent approach based on off-axis electron holography in the transmission electron microscope. Both the mean inner potential and the magnetic contribution to the phase shift are subtracted by taking differences between electron-optical phase images recorded with different voltages applied to the needle. The measured one-dimensional charge density distribution along the needle is compared with a similar result obtained using model-based fitting of the phase shift surrounding the needle. On the assumption of cylindrical symmetry, it is then used to infer the three-dimensional electricmore » field and electrostatic potential around the needle with ∼10 nm spatial resolution, without needing to consider either the influence of the perturbed reference wave or the extension of the projected potential outside the field of view of the electron hologram. The present study illustrates how a model-independent approach can be used to measure local variations in charge density in a material using electron holography in the presence of additional contributions to the phase, such as those arising from changes in mean inner potential and specimen thickness.« less

Multi-host model and threshold of intermediate host Oncomelania snail density for eliminating schistosomiasis transmission in China.

PubMed

Zhou, Yi-Biao; Chen, Yue; Liang, Song; Song, Xiu-Xia; Chen, Geng-Xin; He, Zhong; Cai, Bin; Yihuo, Wu-Li; He, Zong-Gui; Jiang, Qing-Wu

2016-08-18

Schistosomiasis remains a serious public health issue in many tropical countries, with more than 700 million people at risk of infection. In China, a national integrated control strategy, aiming at blocking its transmission, has been carried out throughout endemic areas since 2005. A longitudinal study was conducted to determine the effects of different intervention measures on the transmission dynamics of S. japonicum in three study areas and the data were analyzed using a multi-host model. The multi-host model was also used to estimate the threshold of Oncomelania snail density for interrupting schistosomiasis transmission based on the longitudinal data as well as data from the national surveillance system for schistosomiasis. The data showed a continuous decline in the risk of human infection and the multi-host model fit the data well. The 25th, 50th and 75th percentiles, and the mean of estimated thresholds of Oncomelania snail density below which the schistosomiasis transmission cannot be sustained were 0.006, 0.009, 0.028 and 0.020 snails/0.11 m(2), respectively. The study results could help develop specific strategies of schistosomiasis control and elimination tailored to the local situation for each endemic area.

Cardiorespiratory fitness and hip bone mineral density in women: a 6-year prospective study.

PubMed

Tucker, Larry A; Nokes, Neil R; Bailey, Bruce W; Lecheminant, James D

2014-10-01

Cross-sectional studies and short term interventions focusing on fitness and bone mineral density (BMD) are common. However, few investigations have studied the effect of fitness on BMD over an extended period of time. The present study was conducted to determine the extent to which cardiorespiratory fitness influences risk of BMD loss at the hip over 6 yr. A prospective cohort design was used with 245 healthy, middle-aged women. Hip BMD was assessed using dual energy x-ray absorptiometry. Calcium and vitamin D were measured using the Block Food Frequency Questionnaire. Menopause status was measured by a questionnaire. Results showed that fit and unfit women experienced similar changes in hip BMD over time. Specifically, unfit women experienced a non-significant 7% increased risk of losing hip BMD compared to their counterparts (RR = 1.07, 95% CI = 0.66, 1.73). Adjusting statistically for differences in age, initial body weight, and hip BMD, weight change, menopause status, calcium and vitamin D intake, and time between assessments had little effect on the relationship. Fitness level did not influence risk of hip BMD loss over time.

Local Minima Free Parameterized Appearance Models

PubMed Central

Nguyen, Minh Hoai; De la Torre, Fernando

2010-01-01

Parameterized Appearance Models (PAMs) (e.g. Eigentracking, Active Appearance Models, Morphable Models) are commonly used to model the appearance and shape variation of objects in images. While PAMs have numerous advantages relative to alternate approaches, they have at least two drawbacks. First, they are especially prone to local minima in the fitting process. Second, often few if any of the local minima of the cost function correspond to acceptable solutions. To solve these problems, this paper proposes a method to learn a cost function by explicitly optimizing that the local minima occur at and only at the places corresponding to the correct fitting parameters. To the best of our knowledge, this is the first paper to address the problem of learning a cost function to explicitly model local properties of the error surface to fit PAMs. Synthetic and real examples show improvement in alignment performance in comparison with traditional approaches. PMID:21804750

Characterizing the galaxy populations within different environments in the RCS2319 supercluster

NASA Astrophysics Data System (ADS)

Delahaye, Anna; Webb, Tracy

We present the results of a multi-wavelength photometric study of the high redshift supercluster RCS2319+00. RCS2319+00 is a high-redshift (z ~ 0.9) supercluster comprising three spectroscopically confrmed cluster cores discovered in the Red Sequence Cluster Survey (RCS) (Gladders & Yee 2005). Core proximities and merger rates estimate coalescence into a 1015 M ⊙ cluster by z ~ 0.5 (Gilbank et al. 2008). Spectroscopic studies of the system have revealed over 300 supercluster members located in the cores and several infalling groups (Faloon et al. 2013). RCS2319 presents a diverse range of dynamical systems and densities making it an ideal laboratory in which to study the effects of environment on galaxy properties. Imaging in optical and near infrared (griz' from MegaCam, JK s from WIRCam, both at CFHT), as well as 3.6 μm and 4.5μm from IRAC have enabled the assembly of a large photometric catalogue. Coupled with an extensive spectroscopic survey (Faloon et al. 2013) providing nearly 2400 redshifts across the field, photometric redshifts were determined using the template fitting code EAZY (Brammer et al. 2008). Nearly 80 000 photometric redshifts were measured providing a sample of nearly 3000 cluster members. To investigate effects of global environment, analysis was done utilizing a friend-of-friends group finding algorithm identifying several large and small infalling groups along with the three cluster cores. The cores are found to be dominated by massive, red galaxies and the field galaxies are populated by low mass, blue galaxies, as is the case in the local universe. Interestingly, the large groups exhibit intermediate properties between field and core populations, suggesting possible pre-processing as they are being accreted into the core halos. Relative fifth-nearest neighbour overdensity, log(1+δ5), is used as a proxy for local environment to investigate environmental dependence on galaxy colour. While there is an overall dependence of colour on local density, when controlled for stellar mass the dependence largely disappears. Indeed, galaxy mass is the dominant factor in determining colour, with local density a secondary effect only noticeable in lower mass galaxies at the 3 σ level for both colour and red fraction. RCS2319+00 presents a rare opportunity to probe many different densities and environments all located within the same object. We're able to investigate how galaxy evolution is affected by the environment, from field galaxies to infalling to groups to dense cluster cores, as well as the different density regions within each environment.

A New Comprehensive Model for Crustal and Upper Mantle Structure of the European Plate

NASA Astrophysics Data System (ADS)

Morelli, A.; Danecek, P.; Molinari, I.; Postpischl, L.; Schivardi, R.; Serretti, P.; Tondi, M. R.

2009-12-01

We present a new comprehensive model of crustal and upper mantle structure of the whole European Plate — from the North Atlantic ridge to Urals, and from North Africa to the North Pole — describing seismic speeds (P and S) and density. Our description of crustal structure merges information from previous studies: large-scale compilations, seismic prospection, receiver functions, inversion of surface wave dispersion measurements and Green functions from noise correlation. We use a simple description of crustal structure, with laterally-varying sediment and cristalline layers thickness and seismic parameters. Most original information refers to P-wave speed, from which we derive S speed and density from scaling relations. This a priori crustal model by itself improves the overall fit to observed Bouguer anomaly maps, as derived from GRACE satellite data, over CRUST2.0. The new crustal model is then used as a constraint in the inversion for mantle shear wave speed, based on fitting Love and Rayleigh surface wave dispersion. In the inversion for transversely isotropic mantle structure, we use group speed measurements made on European event-to-station paths, and use a global a priori model (S20RTS) to ensure fair rendition of earth structure at depth and in border areas with little coverage from our data. The new mantle model sensibly improves over global S models in the imaging of shallow asthenospheric (slow) anomalies beneath the Alpine mobile belt, and fast lithospheric signatures under the two main Mediterranean subduction systems (Aegean and Tyrrhenian). We map compressional wave speed inverting ISC travel times (reprocessed by Engdahl et al.) with a non linear inversion scheme making use of finite-difference travel time calculation. The inversion is based on an a priori model obtained by scaling the 3D mantle S-wave speed to P. The new model substantially confirms images of descending lithospheric slabs and back-arc shallow asthenospheric regions, shown in other more local high-resolution tomographic studies, but covers the whole range of the European Plate. We also obtain three-dimensional mantle density structure by inversion of GRACE Bouguer anomalies locally adjusting density and the scaling relation between seismic wave speeds and density. We validate the new comprehensive model through comparison of recorded seismograms with numerical simulations based on SPECFEM3D. This work is a contribution towards the definition of a reference earth model for Europe. To this extent, in order to improve model dissemination and comparison, we propose the adoption of a common exchange format for tomographic earth models based on JSON, a lightweight data-interchange format supported by most high-level programming languages. We provide tools for manipulating and visualising models, described in this standard format, in Google Earth and GEON IDV.

SWIFT BAT Survey of AGN

NASA Technical Reports Server (NTRS)

Tueller, J.; Mushotzky, R. F.; Barthelmy, S.; Cannizzo, J. K.; Gehrels, N.; Markwardt, C. B.; Skinner, G. K.; Winter, L. M.

2008-01-01

We present the results1 of the analysis of the first 9 months of data of the Swift BAT survey of AGN in the 14-195 keV band. Using archival X-ray data or follow-up Swift XRT observations, we have identified 129 (103 AGN) of 130 objects detected at [b] > 15deg and with significance > 4.8-delta. One source remains unidentified. These same X-ray data have allowed measurement of the X-ray properties of the objects. We fit a power law to the logN - log S distribution, and find the slope to be 1.42+/-0.14. Characterizing the differential luminosity function data as a broken power law, we find a break luminosity logL*(ergs/s)= 43.85+/-0.26. We obtain a mean photon index 1.98 in the 14-195 keV band, with an rms spread of 0.27. Integration of our luminosity function gives a local volume density of AGN above 10(exp 41) erg/s of 2.4x10(exp -3) Mpc(sup -3), which is about 10% of the total luminous local galaxy density above M* = -19.75. We have obtained X-ray spectra from the literature and from Swift XRT follow-up observations. These show that the distribution of log nH is essentially flat from nH = 10(exp 20)/sq cm to 10(exp 24)/sq cm, with 50% of the objects having column densities of less than 10(exp 22)/sq cm. BAT Seyfert galaxies have a median redshift of 0.03, a maximum log luminosity of 45.1, and approximately half have log nH > 22.

Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

NASA Astrophysics Data System (ADS)

Hohenstein, Edward G.; Parrish, Robert M.; Martínez, Todd J.

2012-07-01

Many approximations have been developed to help deal with the O(N4) growth of the electron repulsion integral (ERI) tensor, where N is the number of one-electron basis functions used to represent the electronic wavefunction. Of these, the density fitting (DF) approximation is currently the most widely used despite the fact that it is often incapable of altering the underlying scaling of computational effort with respect to molecular size. We present a method for exploiting sparsity in three-center overlap integrals through tensor decomposition to obtain a low-rank approximation to density fitting (tensor hypercontraction density fitting or THC-DF). This new approximation reduces the 4th-order ERI tensor to a product of five matrices, simultaneously reducing the storage requirement as well as increasing the flexibility to regroup terms and reduce scaling behavior. As an example, we demonstrate such a scaling reduction for second- and third-order perturbation theory (MP2 and MP3), showing that both can be carried out in O(N4) operations. This should be compared to the usual scaling behavior of O(N5) and O(N6) for MP2 and MP3, respectively. The THC-DF technique can also be applied to other methods in electronic structure theory, such as coupled-cluster and configuration interaction, promising significant gains in computational efficiency and storage reduction.

Inversion method applied to the rotation curves of galaxies

NASA Astrophysics Data System (ADS)

Márquez-Caicedo, L. A.; Lora-Clavijo, F. D.; Sanabria-Gómez, J. D.

2017-07-01

We used simulated annealing, Montecarlo and genetic algorithm methods for matching both numerical data of density and velocity profiles in some low surface brigthness galaxies with theoretical models of Boehmer-Harko, Navarro-Frenk-White and Pseudo Isothermal Profiles for galaxies with dark matter halos. We found that Navarro-Frenk-White model does not fit at all in contrast with the other two models which fit very well. Inversion methods have been widely used in various branches of science including astrophysics (Charbonneau 1995, ApJS, 101, 309). In this work we have used three different parametric inversion methods (MonteCarlo, Genetic Algorithm and Simmulated Annealing) in order to determine the best fit of the observed data of the density and velocity profiles of a set of low surface brigthness galaxies (De Block et al. 2001, ApJ, 122, 2396) with three models of galaxies containing dark mattter. The parameters adjusted by the inversion methods were the central density and a characteristic distance in the Boehmer-Harko BH (Boehmer & Harko 2007, JCAP, 6, 25), Navarro-Frenk-White NFW (Navarro et al. 2007, ApJ, 490, 493) and Pseudo Isothermal Profile PI (Robles & Matos 2012, MNRAS, 422, 282). The results obtained showed that the BH and PI Profile dark matter galaxies fit very well for both the density and the velocity profiles, in contrast the NFW model did not make good adjustments to the profiles in any analized galaxy.

Using the Flipchem Photochemistry Model When Fitting Incoherent Scatter Radar Data

NASA Astrophysics Data System (ADS)

Reimer, A. S.; Varney, R. H.

2017-12-01

The North face Resolute Bay Incoherent Scatter Radar (RISR-N) routinely images the dynamics of the polar ionosphere, providing measurements of the plasma density, electron temperature, ion temperature, and line of sight velocity with seconds to minutes time resolution. RISR-N does not directly measure ionospheric parameters, but backscattered signals, recording them as voltage samples. Using signal processing techniques, radar autocorrelation functions (ACF) are estimated from the voltage samples. A model of the signal ACF is then fitted to the ACF using non-linear least-squares techniques to obtain the best-fit ionospheric parameters. The signal model, and therefore the fitted parameters, depend on the ionospheric ion composition that is used [e.g. Zettergren et. al. (2010), Zou et. al. (2017)].The software used to process RISR-N ACF data includes the "flipchem" model, which is an ion photochemistry model developed by Richards [2011] that was adapted from the Field LineInterhemispheric Plasma (FLIP) model. Flipchem requires neutral densities, neutral temperatures, electron density, ion temperature, electron temperature, solar zenith angle, and F10.7 as inputs to compute ion densities, which are input to the signal model. A description of how the flipchem model is used in RISR-N fitting software will be presented. Additionally, a statistical comparison of the fitted electron density, ion temperature, electron temperature, and velocity obtained using a flipchem ionosphere, a pure O+ ionosphere, and a Chapman O+ ionosphere will be presented. The comparison covers nearly two years of RISR-N data (April 2015 - December 2016). Richards, P. G. (2011), Reexamination of ionospheric photochemistry, J. Geophys. Res., 116, A08307, doi:10.1029/2011JA016613.Zettergren, M., Semeter, J., Burnett, B., Oliver, W., Heinselman, C., Blelly, P.-L., and Diaz, M.: Dynamic variability in F-region ionospheric composition at auroral arc boundaries, Ann. Geophys., 28, 651-664, https://doi.org/10.5194/angeo-28-651-2010, 2010.Zou, S., D. Ozturk, R. Varney, and A. Reimer (2017), Effects of sudden commencement on the ionosphere: PFISR observations and global MHD simulation, Geophys. Res. Lett., 44, 3047-3058, doi:10.1002/2017GL072678.

Many-Body Theory of Pyrochlore Iridates and Related Materials

NASA Astrophysics Data System (ADS)

Wang, Runzhi

In this thesis we focus on two problems. First we propose a numerical method for generating optimized Wannier functions with desired properties. Second we perform the state of the art density functional plus dynamical mean-field calculations in pyrochlore iridates, to investigate the physics induced by the cooperation of spin-orbit coupling and electron correlation. We begin with the introduction for maximally localized Wannier functions and other related extensions. Then we describe the current research in the field of spin-orbit coupling and its interplay with correlation effects, followed by a brief introduction of the `hot' materials of iridates. Before the end of the introduction, we discuss the numerical methods employed in our work, including the density functional theory; dynamical mean-field theory and its combination with the exact diagonalization impurity solver. Then we propose our approach for constructing an optimized set of Wannier functions, which is a generalization of the functionality of the classic maximal localization method put forward by Marzari and Vanderbilt. Our work is motivated by the requirement of the effective description of the local subspace of the Hamiltonian by the beyond density functional theory methods. In extensions of density functional theory such as dynamical mean-field theory, one may want highly accurate description of particular local orbitals, including correct centers and symmetries; while the basis for the remaining degrees of freedom is unimportant. Therefore, we develop the selectively localized Wannier function approach which allows for a greater localization in the selected subset of Wannier functions and at the same time allows us to fix the centers and ensure the point symmetries. Applications in real materials are presented to demonstrate the power of our approach. Next we move to the investigation of pyrochlore iridates, focussing on the metal-insulator transition and material dependence in these compounds. We perform combined density functional plus dynamical mean-field calculations in Lu2Ir2O7, Y2Ir2O 7, Eu2Ir2O7, with spin-orbit coupling included and both single-site and cluster approximations appiled. A broad range of Weyl metal is predicted as the intervening phase in the metal-insulator transition. By comparing to experiments, we find that the single-site approximation fails to predict the gap values and substantial difference between the Y and Eu-compound, demonstrating the inadequacy of this approximation and indicating the key role played by the intersite effects. Finally, we provide a more accurate description of the vicinity of the metal-insulator and topological transitions implied by density functional plus cluster dynamical mean-field calculations of pyrochlore iridates. We find definitive evidence of the Weyl semimetal phase, the electronic structure of which can be approximately described as ``Weyl rings" with an extremely flat dispersion of one of the Weyl bands. This Weyl semimetal phase is further investigated by the k • p analysis fitting to the numerical results. We find that this unusual structure leads to interesting behavior in the optical conductivity including a Hall effect in the interband component, and to an enhanced susceptibility.

Laboratory measurements of white dwarf photospheric spectral lines: Hβ

DOE PAGES

Falcon, Ross Edward; Rochau, Gregory A.; Bailey, James E.; ...

2015-06-18

We spectroscopically measure multiple hydrogen Balmer line profiles from laboratory plasmas to investigate the theoretical line profiles used in white dwarf (WD) atmosphere models. X-ray radiation produced at the Z Pulsed Power Facility at Sandia National Laboratories initiates plasma formation in a hydrogen-filled gas cell, replicating WD photospheric conditions. We also present time-resolved measurements of Hβ and fit this line using different theoretical line profiles to diagnose electron density, n e, and n = 2 level population, n 2. Aided by synthetic tests, we characterize the validity of our diagnostic method for this experimental platform. During a single experiment, wemore » infer a continuous range of electron densities increasing from n e ~ 4 to ~30 × 10 16 cm -3 throughout a 120-ns evolution of our plasma. Also, we observe n 2 to be initially elevated with respect to local thermodynamic equilibrium (LTE); it then equilibrates within ~55 ns to become consistent with LTE. This also supports our electron-temperature determination of T e ~ 1.3 eV (~15,000 K) after this time. At n e≲ 10 17 cm -3, we find that computer-simulation-based line-profile calculations provide better fits (lower reduced χ 2) than the line profiles currently used in the WD astronomy community. The inferred conditions, however, are in good quantitative agreement. Lastly, this work establishes an experimental foundation for the future investigation of relative shapes and strengths between different hydrogen Balmer lines.« less

The relationship between body composition and physical fitness in 14 year old adolescents residing within the Tlokwe local municipality, South Africa: The PAHL study

PubMed Central

2012-01-01

Background Little is known about the relationship between body composition and physical fitness in 14 year-old high school adolescents of South Africa. Baseline data from a longitudinal study on physical activity and health (PAHLS) may provide valuable information for future studies, hence to inform public health policy makers. The objectives of this study are to determine the prevalence of underweight, normal weight and overweight among adolescents aged 14 years in the Tlokwe Local Municipality of the North West Province of South Africa, and to assess the association between physical fitness and body composition separately for boys and girls, adjusted for race and locality. Methods Body weight, height and triceps, and subscapular skinfolds of 256 adolescents (100 boys and 156 girls) aged 14 years were measured, and percentage body fat and body mass index (BMI) were calculated. BMI was used to determine underweight, normal weight and overweight based on the standard criterion. Physical fitness was assessed by standing broad jump, bent arm hang and sit-ups according to the EUROFIT fitness standard procedures. Multinomial logistic regression analyses stratified for gender and adjusted for race (black or white), and the locality (urban or township) of the schools were used to analyze the data. Results In the total group 35.9% were underweight and 13.7% overweight. Boys were more underweight (44%) than girls (30.7%). The prevalence of overweight was 8% in boys and 17.3% in girls. BMI was strongly (p = 0.01) related with percentage body fat. Strong and significant positive associations between physical fitness and BMI for the underweight girls with high physical fitness scores (OR, 10.69 [95%CI: 2.81-40.73], and overweight girls with high physical fitness scores (OR, 0.11 [95%CI: 0.03-0.50]) were found. Non-significant weaker positive relationship between physical fitness and BMI for the underweight boys with high physical fitness scores (OR, 1.80 [95%CI: 0.63-5.09]), and the overweight boys with high physical fitness scores (OR, 0.18 [95%CI: 0.02-1.78]) were found. Conclusion Both underweight and overweight among boys and girls in Tlokwe Local Municipality exist, and their effects on physical fitness performances were also noticed. As such, strategic physical activity, interventions or follow-up studies recognizing this relationship particularly in the overweight adolescents are needed. In addition, authorities in health and education departments dealing with adolescents should make use of this evidence base information in policies development. PMID:22626033

Self-consistent modeling of self-organized patterns of spots on anodes of DC glow discharges

NASA Astrophysics Data System (ADS)

Bieniek, M. S.; Almeida, P. G. C.; Benilov, M. S.

2018-05-01

Self-organized patterns of spots on a flat metallic anode in a cylindrical glow discharge tube are simulated. A standard model of glow discharges is used, comprising conservation and transport equations for a single species of ion and electrons, written with the use of the drift-diffusion and local-field approximations, and the Poisson equation. Only processes in the near-anode region are considered and the computation domain is the region between the anode and the discharge column. Multiple solutions, existing in the same range of discharge current and describing modes with and without anode spots, are computed for the first time. A reversal of the local anode current density in the spots was found, i.e. mini-cathodes are formed inside the spots or, as one could say, anode spots operate as a unipolar glow discharge. The solutions do not fit into the conventional pattern of self-organization in bistable nonlinear dissipative systems; In particular, the modes are not joined by bifurcations.

Energetics and Birth Rates of Supernova Remnants in the Large Magellanic Cloud

NASA Astrophysics Data System (ADS)

Leahy, D. A.

2017-03-01

Published X-ray emission properties for a sample of 50 supernova remnants (SNRs) in the Large Magellanic Cloud (LMC) are used as input for SNR evolution modeling calculations. The forward shock emission is modeled to obtain the initial explosion energy, age, and circumstellar medium density for each SNR in the sample. The resulting age distribution yields a SNR birthrate of 1/(500 yr) for the LMC. The explosion energy distribution is well fit by a log-normal distribution, with a most-probable explosion energy of 0.5× {10}51 erg, with a 1σ dispersion by a factor of 3 in energy. The circumstellar medium density distribution is broader than the explosion energy distribution, with a most-probable density of ˜0.1 cm-3. The shape of the density distribution can be fit with a log-normal distribution, with incompleteness at high density caused by the shorter evolution times of SNRs.

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

PubMed

Parrish, Robert M; Burns, Lori A; Smith, Daniel G A; Simmonett, Andrew C; DePrince, A Eugene; Hohenstein, Edward G; Bozkaya, Uğur; Sokolov, Alexander Yu; Di Remigio, Roberto; Richard, Ryan M; Gonthier, Jérôme F; James, Andrew M; McAlexander, Harley R; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P; Verma, Prakash; Schaefer, Henry F; Patkowski, Konrad; King, Rollin A; Valeev, Edward F; Evangelista, Francesco A; Turney, Justin M; Crawford, T Daniel; Sherrill, C David

2017-07-11

Psi4 is an ab initio electronic structure program providing methods such as Hartree-Fock, density functional theory, configuration interaction, and coupled-cluster theory. The 1.1 release represents a major update meant to automate complex tasks, such as geometry optimization using complete-basis-set extrapolation or focal-point methods. Conversion of the top-level code to a Python module means that Psi4 can now be used in complex workflows alongside other Python tools. Several new features have been added with the aid of libraries providing easy access to techniques such as density fitting, Cholesky decomposition, and Laplace denominators. The build system has been completely rewritten to simplify interoperability with independent, reusable software components for quantum chemistry. Finally, a wide range of new theoretical methods and analyses have been added to the code base, including functional-group and open-shell symmetry adapted perturbation theory, density-fitted coupled cluster with frozen natural orbitals, orbital-optimized perturbation and coupled-cluster methods (e.g., OO-MP2 and OO-LCCD), density-fitted multiconfigurational self-consistent field, density cumulant functional theory, algebraic-diagrammatic construction excited states, improvements to the geometry optimizer, and the "X2C" approach to relativistic corrections, among many other improvements.

A Patch Density Recommendation based on Convergence Studies for Vehicle Panel Vibration Response resulting from Excitation by a Diffuse Acoustic Field

NASA Technical Reports Server (NTRS)

Smith, Andrew; LaVerde, Bruce; Jones, Douglas; Towner, Robert; Hunt, Ron

2013-01-01

Fluid structural interaction problems that estimate panel vibration from an applied pressure field excitation are quite dependent on the spatial correlation of the pressure field. There is a danger of either over estimating a low frequency response or under predicting broad band panel response in the more modally dense bands if the pressure field spatial correlation is not accounted for adequately. Even when the analyst elects to use a fitted function for the spatial correlation an error may be introduced if the choice of patch density is not fine enough to represent the more continuous spatial correlation function throughout the intended frequency range of interest. Both qualitative and quantitative illustrations evaluating the adequacy of different patch density assumptions to approximate the fitted spatial correlation function are provided. The actual response of a typical vehicle panel system is then evaluated in a convergence study where the patch density assumptions are varied over the same finite element model. The convergence study results are presented illustrating the impact resulting from a poor choice of patch density. The fitted correlation function used in this study represents a Diffuse Acoustic Field (DAF) excitation of the panel to produce vibration response.

Double Trouble at High Density: Cross-Level Test of Resource-Related Adaptive Plasticity and Crowding-Related Fitness

PubMed Central

Gergs, André; Preuss, Thomas G.; Palmqvist, Annemette

2014-01-01

Population size is often regulated by negative feedback between population density and individual fitness. At high population densities, animals run into double trouble: they might concurrently suffer from overexploitation of resources and also from negative interference among individuals regardless of resource availability, referred to as crowding. Animals are able to adapt to resource shortages by exhibiting a repertoire of life history and physiological plasticities. In addition to resource-related plasticity, crowding might lead to reduced fitness, with consequences for individual life history. We explored how different mechanisms behind resource-related plasticity and crowding-related fitness act independently or together, using the water flea Daphnia magna as a case study. For testing hypotheses related to mechanisms of plasticity and crowding stress across different biological levels, we used an individual-based population model that is based on dynamic energy budget theory. Each of the hypotheses, represented by a sub-model, is based on specific assumptions on how the uptake and allocation of energy are altered under conditions of resource shortage or crowding. For cross-level testing of different hypotheses, we explored how well the sub-models fit individual level data and also how well they predict population dynamics under different conditions of resource availability. Only operating resource-related and crowding-related hypotheses together enabled accurate model predictions of D. magna population dynamics and size structure. Whereas this study showed that various mechanisms might play a role in the negative feedback between population density and individual life history, it also indicated that different density levels might instigate the onset of the different mechanisms. This study provides an example of how the integration of dynamic energy budget theory and individual-based modelling can facilitate the exploration of mechanisms behind the regulation of population size. Such understanding is important for assessment, management and the conservation of populations and thereby biodiversity in ecosystems. PMID:24626228

The Wolf-Rayet nebula NGC 3199 - an interstellar snow plough?

NASA Astrophysics Data System (ADS)

Dyson, J. E.; Ghanbari, J.

1989-12-01

The Wolf-Rayet nebula NGC 3199 has a highly asymmetric morphology, with a very bright hemisphere near the exciting star HD 89358 and a much fainter and more extended other hemisphere. This nebula is modeled in terms of the distorted bubble produced by a moving star blowing a strong stellar wind into a surrounding uniform interstellar medium; this model is fitted to the morphology and observed kinematic data. The exciting star appears to be moving at about 60 km/s into local interstellar gas of density of about 10/cu cm, and has a mass-loss rate of about 0.000027 solar mass/yr. This latter mass-loss rate is in excellent agreement with observed mass-loss rates from Wolf-Rayet stars.

Methods for Quantitative Interpretation of Retarding Field Analyzer Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calvey, J.R.; Crittenden, J.A.; Dugan, G.F.

2011-03-28

Over the course of the CesrTA program at Cornell, over 30 Retarding Field Analyzers (RFAs) have been installed in the CESR storage ring, and a great deal of data has been taken with them. These devices measure the local electron cloud density and energy distribution, and can be used to evaluate the efficacy of different cloud mitigation techniques. Obtaining a quantitative understanding of RFA data requires use of cloud simulation programs, as well as a detailed model of the detector itself. In a drift region, the RFA can be modeled by postprocessing the output of a simulation code, and onemore » can obtain best fit values for important simulation parameters with a chi-square minimization method.« less

Dynamical constraints on the dark matter distribution in the Milky Way

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pato, Miguel; Iocco, Fabio; Bertone, Gianfranco, E-mail: migpato@gmail.com, E-mail: fabio.iocco.astro@gmail.com, E-mail: g.bertone@uva.nl

2015-12-01

An accurate knowledge of the dark matter distribution in the Milky Way is of crucial importance for galaxy formation studies and current searches for particle dark matter. In this paper we set new dynamical constraints on the Galactic dark matter profile by comparing the observed rotation curve, updated with a comprehensive compilation of kinematic tracers, with that inferred from a wide range of observation-based morphologies of the bulge, disc and gas. The generalised Navarro-Frenk-White (NFW) and Einasto dark matter profiles are fitted to the data in order to determine the favoured ranges of local density, slope and scale radius. Formore » a representative baryonic model, a typical local circular velocity v{sub 0}=230 km/s and a distance of the Sun to the Galactic centre R{sub 0}=8 kpc, we find a local dark matter density ρ{sub 0} = 0.420{sup +0.021}{sub −0.018} (2σ) ± 0.025 GeV/cm{sup 3} (ρ{sub 0} = 0.420{sup +0.019}{sub −0.021} (2σ) ± 0.026 GeV/cm{sup 3}) for NFW (Einasto), where the second error is an estimate of the systematic due to baryonic modelling. Apart from the Galactic parameters, the main sources of uncertainty inside and outside the solar circle are baryonic modelling and rotation curve measurements, respectively. Upcoming astronomical observations are expected to reduce all these uncertainties substantially over the coming years.« less

New Insight into the Local Structure of Hydrous Ferric Arsenate Using Full-Potential Multiple Scattering Analysis, Density Functional Theory Calculations, and Vibrational Spectroscopy.

PubMed

Wang, Shaofeng; Ma, Xu; Zhang, Guoqing; Jia, Yongfeng; Hatada, Keisuke

2016-11-15

Hydrous ferric arsenate (HFA) is an important arsenic-bearing precipitate in the mining-impacted environment and hydrometallurgical tailings. However, there is no agreement on its local atomic structure. The local structure of HFA was reprobed by employing a full-potential multiple scattering (FPMS) analysis, density functional theory (DFT) calculations, and vibrational spectroscopy. The FPMS simulations indicated that the coordination number of the As-Fe, Fe-As, or both in HFA was approximately two. The DFT calculations constructed a structure of HFA with the formula of Fe(HAsO 4 ) x (H 2 AsO 4 ) 1-x (OH) y ·zH 2 O. The presence of protonated arsenate in HFA was also evidenced by vibrational spectroscopy. The As and Fe K-edge X-ray absorption near-edge structure spectra of HFA were accurately reproduced by FPMS simulations using the chain structure, which was also a reasonable model for extended X-Ray absorption fine structure fitting. The FPMS refinements indicated that the interatomic Fe-Fe distance was approximately 5.2 Å, consistent with that obtained by Mikutta et al. (Environ. Sci. Technol. 2013, 47 (7), 3122-3131) using wavelet analysis. All of the results suggested that HFA was more likely to occur as a chain with AsO 4 tetrahedra and FeO 6 octahedra connecting alternately in an isolated bidentate-type fashion. This finding is of significance for understanding the fate of arsenic and the formation of ferric arsenate minerals in an acidic environment.

Correction of localized shape errors on optical surfaces by altering the localized density of surface or near-surface layers

DOEpatents

Taylor, John S.; Folta, James A.; Montcalm, Claude

2005-01-18

Figure errors are corrected on optical or other precision surfaces by changing the local density of material in a zone at or near the surface. Optical surface height is correlated with the localized density of the material within the same region. A change in the height of the optical surface can then be caused by a change in the localized density of the material at or near the surface.

A novel method to assess primary stability of press-fit acetabular cups.

PubMed

Crosnier, Emilie A; Keogh, Patrick S; Miles, Anthony W

2014-11-01

Initial stability is an essential prerequisite to achieve osseointegration of press-fit acetabular cups in total hip replacements. Most in vitro methods that assess cup stability do not reproduce physiological loading conditions and use simplified acetabular models with a spherical cavity. The aim of this study was to investigate the effect of bone density and acetabular geometry on cup stability using a novel method for measuring acetabular cup micromotion. A press-fit cup was inserted into Sawbones(®) foam blocks having different densities to simulate normal and osteoporotic bone variations and different acetabular geometries. The stability of the cup was assessed in two ways: (a) measurement of micromotion of the cup in 6 degrees of freedom under physiological loading and (b) uniaxial push-out tests. The results indicate that changes in bone substrate density and acetabular geometry affect the stability of press-fit acetabular cups. They also suggest that cups implanted into weaker, for example, osteoporotic, bone are subjected to higher levels of micromotion and are therefore more prone to loosening. The decrease in stability of the cup in the physiological model suggests that using simplified spherical cavities to model the acetabulum over-estimates the initial stability of press-fit cups. This novel testing method should provide the basis for a more representative protocol for future pre-clinical evaluation of new acetabular cup designs. © IMechE 2014.

Cubic scaling algorithms for RPA correlation using interpolative separable density fitting

NASA Astrophysics Data System (ADS)

Lu, Jianfeng; Thicke, Kyle

2017-12-01

We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in χ0 by use of Cauchy's integral formula. This introduces an additional integral to be carried out, for which we provide a geometrically convergent quadrature rule. Our scheme also uses the newly developed Interpolative Separable Density Fitting algorithm to further reduce the computational cost in a way analogous to that of the Resolution of Identity method.

Intraspecific variation in stomatal traits, leaf traits and physiology reflects adaptation along aridity gradients in a South African shrub.

PubMed

Carlson, Jane E; Adams, Christopher A; Holsinger, Kent E

2016-01-01

Trait-environment relationships are commonly interpreted as evidence for local adaptation in plants. However, even when selection analyses support this interpretation, the mechanisms underlying differential benefits are often unknown. This study addresses this gap in knowledge using the broadly distributed South African shrub Protea repens. Specifically, the study examines whether broad-scale patterns of trait variation are consistent with spatial differences in selection and ecophysiology in the wild. In a common garden study of plants sourced from 19 populations, associations were measured between five morphological traits and three axes describing source climates. Trait-trait and trait-environment associations were analysed in a multi-response model. Within two focal populations in the wild, selection and path analyses were used to test associations between traits, fecundity and physiological performance. Across 19 populations in a common garden, stomatal density increased with the source population's mean annual temperature and decreased with its average amount of rainfall in midsummer. Concordantly, selection analysis in two natural populations revealed positive selection on stomatal density at the hotter, drier site, while failing to detect selection at the cooler, moister site. Dry-site plants with high stomatal density also had higher stomatal conductances, cooler leaf temperatures and higher light-saturated photosynthetic rates than those with low stomatal density, but no such relationships were present among wet-site plants. Leaf area, stomatal pore index and specific leaf area in the garden also co-varied with climate, but within-population differences were not associated with fitness in either wild population. The parallel patterns of broad-scale variation, differences in selection and differences in trait-ecophysiology relationships suggest a mechanism for adaptive differentiation in stomatal density. Densely packed stomata may improve performance by increasing transpiration and cooling, but predominately in drier, hotter climates. This study uniquely shows context-dependent benefits of stomatal density--a trait rarely linked to local adaptation in plants. © The Author 2015. Published by Oxford University Press on behalf of the Annals of Botany Company. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Effects of Descending Stair Walking on Health and Fitness of Elderly Obese Women.

PubMed

Chen, Trevor C; Hsieh, Chung-Chan; Tseng, Kuo-Wei; Ho, Chih-Chiao; Nosaka, Kazunori

2017-08-01

Eccentric exercise training produces positive fitness and health outcomes, but whether this is also the case for descending stair walking (DSW) is unknown. This study investigated the hypothesis that DSW would improve insulin sensitivity, lipid profiles and physical fitness better than ascending stair walking (ASW). Elderly (≥60 yr) obese women were placed to either DSW or ASW group (n = 15 per group). An elevator was used to eliminate ascending stairs for DSW, and descending stairs for ASW. Descending stair walking and ASW were performed twice a week for 12 wk by increasing the repetitions gradually. Overnight fasting blood samples were taken 3 d before the first training session and 4 d after the last training session, and analyzed for insulin sensitivity and lipid profile markers. Resting HR, systolic blood pressure, and diastolic blood pressure, bone mineral density, knee extensor maximal voluntary isometric contraction strength and several functional physical fitness measures were taken before and after the intervention. Average HR during DSW (88.6 ± 7.8 bpm) was lower (P < 0.05) than that of ASW (113.7 ± 10.9 bpm). Resting HR (-10%) and systolic blood pressure (-9%) decreased greater after DSW than ASW (-4% for both), and bone mineral density increased (6%) only for DSW (P < 0.05). Decreases in serum triacylglycerols, total and low-density lipoprotein cholesterols, glucose, insulin, homeostasis model assessment and whole blood glycosylated hemoglobin, and increases in high-density lipoprotein cholesterols were greater (P < 0.05) after DSW than ASW. Maximal voluntary isometric contraction strength increased greater for DSW (34%) than ASW (15%), and many of functional physical fitness measures showed greater (P < 0.05) improvement for DSW than ASW. These results supported the hypothesis and suggest that DSW is an effective exercise intervention for elderly obese women to improve their health and fitness.

Behavioral Intervention, Exercise, and Nutrition Education to Improve Health and Fitness (BENEfit) in Adolescents With Mobility Impairment Due to Spinal Cord Dysfunction

PubMed Central

Liusuwan, Rungsinee Amanda; Widman, Lana M; Abresch, Richard Ted; Johnson, Allan J; McDonald, Craig M

2007-01-01

Background/Objective: Determine the effects of a nutrition education and exercise intervention on the health and fitness of adolescents with mobility impairment due to spinal cord dysfunction from myelomeningocele and spinal cord injury. Subjects participated in a 16-week intervention consisting of a behavioral approach to lifestyle change, exercise, and nutrition education to improve fitness (BENEfit) program. Participants were given a schedule of aerobic and strengthening exercises and attended nutrition education and behavior modification sessions every other week along with their parent(s). Subjects: Twenty adolescents (aged 11–18 years, mean 15.4 ± 2.2 years) with spinal cord dysfunction. Methods: Subjects were tested immediately prior to starting and upon completion of the program. Aerobic fitness was measured using a ramp protocol with an arm ergometer. Heart rate and oxygen uptake were measured. Values at anaerobic threshold and maximum oxygen uptake were recorded. Peak isokinetic arm and shoulder strength were determined with a dynamometer. Body composition was estimated with dual-energy x-ray absorptiometry. Serum chemistry included measures of cholesterol, high-density lipoprotein, low-density lipoprotein, and triglycerides. Results: Fourteen individuals completed all testing sessions. There was no significant overall change in weight, body mass index, body mass index z-scores, or serum chemistry. Overall, there was a significant increase in whole body lean tissue without a concomitant increase in whole body fat. Fitness measures revealed a significant increase in maximum power output, work efficiency as measured by the amount of power output produced aerobically, and resting oxygen uptake. Strength measurements revealed a significant increase in shoulder extension strength and a trend towards increased shoulder flexion strength. There were no significant changes in high-density lipoprotein, low-density lipoprotein, total cholesterol, or triglycerides. Conclusions: The BENEfit program shows promise as a method for improving the health and fitness of adolescents with mobility impairments who are at high risk for obesity and obesity-related health conditions. PMID:17874697

AN ANALYTIC PARAMETERIZATION OF SELF-GRAVITY WAKES IN SATURN'S RINGS, WITH APPLICATION TO OCCULTATIONS AND PROPELLERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tiscareno, Matthew S.; Hedman, Matthew M.; Burns, Joseph A.

2010-02-15

We have developed a semianalytic method of parameterizing N-body simulations of self-gravity wakes in Saturn's rings, describing their photometric properties by means of only six numbers: three optical depths and three weighting factors. These numbers are obtained by fitting a sum of three Gaussians to the results of a density-estimation procedure that finds the frequencies of various values of local density within a simulated ring patch. Application of our parameterization to a suite of N-body simulations implies that rings dominated by self-gravity wakes appear to be mostly empty space, with more than half of their surface area taken up bymore » local optical depths around 0.01. Such regions will be photometrically inactive for all viewing geometries. While this result might be affected by our use of identically sized particles, we believe the general result that the distribution of local optical depths is trimodal, rather than bimodal as previous authors have assumed, is robust. The implications of this result for the analysis of occultation data are more conceptual than practical, as we find that occultations can only distinguish between bimodal and trimodal models at very low opening angles. Thus, the only adjustment needed in existing analyses of occultation data is that the model parameter {tau}{sub gap} should be interpreted as representing the area-weighted average optical depth within the gaps (or inter-wake regions), keeping in mind the possibility that the optical depth within those inter-wake regions may vary significantly. The most significant consequence of our results applies to the question of why 'propeller' structures observed in the mid-A ring are seen as relative-bright features, even though the most prominent features of simulated propellers are regions of relatively low density. Our parameterization of self-gravity wakes lends preliminary quantitative support to the hypothesis that propellers would be bright if they involve a local and temporary disruption of self-gravity wakes. Even though the overall local density is lower within the propeller-shaped structure surrounding an embedded central moonlet, disruption of the wakes would flood these same regions with more 'photometrically active' material (i.e., material that can contribute to the rings' local optical depth), raising their apparent brightnesses in agreement with observations. We find for a wide range of input parameters that this mechanism indeed can plausibly make propellers brighter than the wake-dominated background, though it is also possible for propellers to blend in with the background or even to remain dark. We suggest that this mechanism be tested by future detailed numerical models.« less

Assessment of the densities of local anesthetics and their combination with adjuvants: an experimental study.

PubMed

Imbelloni, Luiz Eduardo; Moreira, Adriano Dias; Gaspar, Flávia Cunha; Gouveia, Marildo A; Cordeiro, José Antônio

2009-01-01

The relative density of a local anesthetic in relation to that of the cerebrospinal fluid (CSF) at 37 degrees C is one of the most important physical properties that affect the level of analgesia obtained after the subarachnoid administration of the drug. The objective of this study was to determine the density of local anesthetic solutions, with and without glucose, and the combination of the local anesthetic with adjuvants at 20 degrees C, 25 degrees C, and 37 degrees C. The density (g.mL(-1)) was determined by using a DMA 450 densimeter with a sensitivity of +/- 0.00001 g.mL(-1). The densities, and variations, according to the temperature were obtained for all local anesthetics and their combination with opioids at 20 degrees C, 25 degrees C, and 37 degrees C. The solution is hyperbaric if its density exceeds 1.00099, hypobaric when its density is lower than 1.00019, and isobaric when its density is greater than 1.00019 and lower than 1.00099. The densities of both local anesthetics and adjuvants decrease with the increase in temperature. At 37 degrees C, all glucose-containing solutions are hyperbaric. In the absence of glucose, all solutions are hypobaric. At 37 degrees C, morphine, fentanyl, sufentanil, and clonidine are hypobaric. The densities of local anesthetics and adjuvants decrease with the increase in temperature and increase when glucose is added. The knowledge of the relative density helps select the most adequate local anesthetic to be administered in the subarachnoid space.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Finzel, Kati, E-mail: kati.finzel@liu.se

The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possiblemore » to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.« less

The Impact of Cardiorespiratory Fitness Levels on the Risk of Developing Atherogenic Dyslipidemia.

PubMed

Breneman, Charity B; Polinski, Kristen; Sarzynski, Mark A; Lavie, Carl J; Kokkinos, Peter F; Ahmed, Ali; Sui, Xuemei

2016-10-01

Low cardiorespiratory fitness has been established as a risk factor for cardiovascular-related morbidity. However, research about the impact of fitness on lipid abnormalities, including atherogenic dyslipidemia, has produced mixed results. The purpose of this investigation is to examine the influence of baseline fitness and changes in fitness on the development of atherogenic dyslipidemia. All participants completed at least 3 comprehensive medical examinations performed by a physician that included a maximal treadmill test between 1976 and 2006 at the Cooper Clinic in Dallas, Texas. Atherogenic dyslipidemia was defined as a triad of lipid abnormalities: low high-density-lipoprotein cholesterol ([HDL-C] <40 mg/dL), high triglycerides ([TGs] ≥200 mg/dL), and high low-density-lipoprotein cholesterol ([LDL-C] ≥160 mg/dL). A total of 193 participants developed atherogenic dyslipidemia during an average of 8.85 years of follow-up. High baseline fitness was protective against the development of atherogenic dyslipidemia in comparison with those with low fitness (odds ratio [OR] 0.57; 95% confidence interval [CI], 0.37-0.89); however, this relationship became nonsignificant after controlling for baseline HDL-C, LDL-C, and TG levels. Participants who maintained fitness over time had lower odds of developing atherogenic dyslipidemia than those with a reduction in fitness (OR 0.56; 95% CI, 0.34-0.91) after adjusting for baseline confounders and changes in known risk factors. High fitness at baseline and maintenance of fitness over time are protective against the development of atherogenic dyslipidemia. Copyright © 2016 Elsevier Inc. All rights reserved.

A non-local structural derivative model for characterization of ultraslow diffusion in dense colloids

NASA Astrophysics Data System (ADS)

Liang, Yingjie; Chen, Wen

2018-03-01

Ultraslow diffusion has been observed in numerous complicated systems. Its mean squared displacement (MSD) is not a power law function of time, but instead a logarithmic function, and in some cases grows even more slowly than the logarithmic rate. The distributed-order fractional diffusion equation model simply does not work for the general ultraslow diffusion. Recent study has used the local structural derivative to describe ultraslow diffusion dynamics by using the inverse Mittag-Leffler function as the structural function, in which the MSD is a function of inverse Mittag-Leffler function. In this study, a new stretched logarithmic diffusion law and its underlying non-local structural derivative diffusion model are proposed to characterize the ultraslow diffusion in aging dense colloidal glass at both the short and long waiting times. It is observed that the aging dynamics of dense colloids is a class of the stretched logarithmic ultraslow diffusion processes. Compared with the power, the logarithmic, and the inverse Mittag-Leffler diffusion laws, the stretched logarithmic diffusion law has better precision in fitting the MSD of the colloidal particles at high densities. The corresponding non-local structural derivative diffusion equation manifests clear physical mechanism, and its structural function is equivalent to the first-order derivative of the MSD.

The alpha Centauri Line of Sight: D/H Ratio, Physical Properties of Local Interstellar Gas, and Measurement of Heated Hydrogen (The 'Hydrogen Wall') Near the Heliopause

NASA Technical Reports Server (NTRS)

Linsky, Jeffrey L.; Wood, Brian E.

1996-01-01

We analyze high-resolution spectra of the nearby (1.34 pc) stars alpha Cen A (G2 V) and alpha Cen B (K1 V), which were obtained with the Goddard High Resolution Spectrograph on the Hubble Space Telescope. The observations consist of echelle spectra of the Mg II 2800 A and Fe II 2599 A resonance lines and the Lyman-alpha lines of hydrogen and deuterium. The interstellar gas has a velocity (v = - 18.0 +/- 0.2 km/s) consistent with the local flow vector proposed for this line of sight by Lailement & Berlin (1992). The temperature and nonthermal velocity inferred from the Fe II, Mg II, and D I line profiles are T = 5400 +/- 500 K and xi = 1.20 +/- 0.25 km/s, respectively. However, single-component fits to the H I Lyman-alpha lines yield a Doppler parameter (b(sub HI) = 11.80 km/s) that implies a significantly warmer temperature of 8350 K, and the velocity of the H I absorption (v = - 15.8 +/- 0.2 km/s) is redshifted by about 2.2 km/s with respect to the Fe II, Mg II, and D I lines. The one-component model of the interstellar gas suggests natural logarithm N base HI = 18.03 +/- 0.01 and D/H = (5.7 +/- 0.2) x 10(exp -6) . These parameters lead to a good fit to the observed spectra, but this model does not explain the higher temperature and redshift of H I relative to the other interstellar lines. The most sensible way to resolve the discrepancy between H(I) and the other lines is to add a second absorption component to the H(I) lines. This second component is hotter (T approx. equals 30,000 K), is redshifted relative to the primary component by 2-4 km/s, and has a column density too low to be detected in the Fe(II), Mg(II), and D(I) lines. We propose that the gas responsible for this component is located near the heliopause, consisting of the heated H I gas from the interstellar medium that is compressed by the solar wind. This so-called 'hydrogen wall' is predicted by recent multifluid gasdynamical models of the interstellar gas and solar wind interaction. Our data provide the first measurements of the temperature and column density of H(I) in the hydrogen wall. After considering the effects that a corresponding hydrogen wall around alpha Cen would have on our analysis, our best estimates for the parameters of the solar hydrogen wall are natural log N(sup (2))(H(I)) = 14.74 +/- 0.24, b(sup (2))(H(I)) = 21.9 +/- 1.7 km/s (corresponding to T = 29,000 +/- 5000 K), and v(sup (2))(H(I)) greater than -16km/s. Unfortunately, the existence of this heated H(I) reduces our ability to compute the H(I) column density of the interstellar medium accurately because, with slight alterations to our assumed stellar Lyman-alpha profiles, we discovered that acceptable two-component fits also exist with natural log N(H(I))approx. 17.6. We, therefore, quote large error bars for the H I column density along the alpha Cen line of sight, natural log N(H(I)) = 17.80 +/- 0.30. For this range in N(H(I)), n(H(I)) = 0.15 /cu.cm (+/- a factor of 2) and D/H = (0.5-1.9) x 10(exp -5). This is the first direct measurement of the H(I) density in a local cloud and allows us to predict the distance from the Sun to the edge of the local cloud along various lines of sight. This range in D/H is consistent with the value D/H = 1.6 x 10(exp -5) previously derived for the Capella and Procyon lines of sight. We cannot tell whether D/H ratio varies or is constant in the local interstellar medium, but we do find that the D(I)/Mg(II) ratio for the alpha Cen line of sight is about 4 times smaller than for the Capella and Procyon lines of sight. Therefore, either D/H or the Mg depletion varies significantly over distance scales of only a few parsecs.

A local leaky-box model for the local stellar surface density-gas surface density-gas phase metallicity relation

NASA Astrophysics Data System (ADS)

Zhu, Guangtun Ben; Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Yan, Renbin; Brinkmann, Jonathan

2017-07-01

We revisit the relation between the stellar surface density, the gas surface density and the gas-phase metallicity of typical disc galaxies in the local Universe with the SDSS-IV/MaNGA survey, using the star formation rate surface density as an indicator for the gas surface density. We show that these three local parameters form a tight relationship, confirming previous works (e.g. by the PINGS and CALIFA surveys), but with a larger sample. We present a new local leaky-box model, assuming star-formation history and chemical evolution is localized except for outflowing materials. We derive closed-form solutions for the evolution of stellar surface density, gas surface density and gas-phase metallicity, and show that these parameters form a tight relation independent of initial gas density and time. We show that, with canonical values of model parameters, this predicted relation match the observed one well. In addition, we briefly describe a pathway to improving the current semi-analytic models of galaxy formation by incorporating the local leaky-box model in the cosmological context, which can potentially explain simultaneously multiple properties of Milky Way-type disc galaxies, such as the size growth and the global stellar mass-gas metallicity relation.

Locality of correlation in density functional theory.

PubMed

Burke, Kieron; Cancio, Antonio; Gould, Tim; Pittalis, Stefano

2016-08-07

The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that EC → -AC ZlnZ + BCZ as Z → ∞, where Z is the atomic number, AC is known, and we estimate BC to be about 37 mhartree. The local density approximation yields AC exactly, but a very incorrect value for BC, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with BC a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.

A Three-Dimensional Computational Model of Collagen Network Mechanics

PubMed Central

Lee, Byoungkoo; Zhou, Xin; Riching, Kristin; Eliceiri, Kevin W.; Keely, Patricia J.; Guelcher, Scott A.; Weaver, Alissa M.; Jiang, Yi

2014-01-01

Extracellular matrix (ECM) strongly influences cellular behaviors, including cell proliferation, adhesion, and particularly migration. In cancer, the rigidity of the stromal collagen environment is thought to control tumor aggressiveness, and collagen alignment has been linked to tumor cell invasion. While the mechanical properties of collagen at both the single fiber scale and the bulk gel scale are quite well studied, how the fiber network responds to local stress or deformation, both structurally and mechanically, is poorly understood. This intermediate scale knowledge is important to understanding cell-ECM interactions and is the focus of this study. We have developed a three-dimensional elastic collagen fiber network model (bead-and-spring model) and studied fiber network behaviors for various biophysical conditions: collagen density, crosslinker strength, crosslinker density, and fiber orientation (random vs. prealigned). We found the best-fit crosslinker parameter values using shear simulation tests in a small strain region. Using this calibrated collagen model, we simulated both shear and tensile tests in a large linear strain region for different network geometry conditions. The results suggest that network geometry is a key determinant of the mechanical properties of the fiber network. We further demonstrated how the fiber network structure and mechanics evolves with a local formation, mimicking the effect of pulling by a pseudopod during cell migration. Our computational fiber network model is a step toward a full biomechanical model of cellular behaviors in various ECM conditions. PMID:25386649

The Zone of Avoidance as an X-ray absorber - the role of the galactic foreground modelling Swift XRT spectra

NASA Astrophysics Data System (ADS)

Racz, I. I.; Bagoly, Z.; Tóth, L. V.; Balázs, L. G.; Horvath, I.; Zahorecz, S.

2018-05-01

Gamma-ray bursts (GRBs) are the most powerful explosive events in the Universe. The prompt gamma emission is followed by an X-ray afterglow that is also detected for over nine hundred GRBs by the Swift BAT and XRT detectors. The X-ray afterglow spectrum bears essential information about the burst, and the surrounding interstellar medium (ISM). Since the radiation travels through the line of sight intergalactic medium and the ISM in the Milky Way, the observed emission is influenced by extragalactic and galactic components. The column density of the Galactic foreground ranges several orders of magnitudes, due to both the large scale distribution of ISM and its small scale structures. We examined the effect of local HI column density on the penetrating X-ray emission, as the first step towards a precise modeling of the measured X-ray spectra. We fitted the X-ray spectra using the Xspec software, and checked how the shape of the initially power low spectrum changes with varying input Galactic HI column density. The total absorbing HI column is a sum of the intrinsic and Galactic component. We also investigated the model results for the intrinsic component varying the Galactic foreground. We found that such variations may alter the intrinsic hydrogen column density up to twenty-five percent. We will briefly discuss its consequences.

Spatial dynamics of the 1918 influenza pandemic in England, Wales and the United States.

PubMed

Eggo, Rosalind M; Cauchemez, Simon; Ferguson, Neil M

2011-02-06

There is still limited understanding of key determinants of spatial spread of influenza. The 1918 pandemic provides an opportunity to elucidate spatial determinants of spread on a large scale. To better characterize the spread of the 1918 major wave, we fitted a range of city-to-city transmission models to mortality data collected for 246 population centres in England and Wales and 47 cities in the US. Using a gravity model for city-to-city contacts, we explored the effect of population size and distance on the spread of disease and tested assumptions regarding density dependence in connectivity between cities. We employed Bayesian Markov Chain Monte Carlo methods to estimate parameters of the model for population, infectivity, distance and density dependence. We inferred the most likely transmission trees for both countries. For England and Wales, a model that estimated the degree of density dependence in connectivity between cities was preferable by deviance information criterion comparison. Early in the major wave, long distance infective interactions predominated, with local infection events more likely as the epidemic became widespread. For the US, with fewer more widely dispersed cities, statistical power was lacking to estimate population size dependence or the degree of density dependence, with the preferred model depending on distance only. We find that parameters estimated from the England and Wales dataset can be applied to the US data with no likelihood penalty.

Spatial dynamics of the 1918 influenza pandemic in England, Wales and the United States

PubMed Central

Eggo, Rosalind M.; Cauchemez, Simon; Ferguson, Neil M.

2011-01-01

There is still limited understanding of key determinants of spatial spread of influenza. The 1918 pandemic provides an opportunity to elucidate spatial determinants of spread on a large scale. To better characterize the spread of the 1918 major wave, we fitted a range of city-to-city transmission models to mortality data collected for 246 population centres in England and Wales and 47 cities in the US. Using a gravity model for city-to-city contacts, we explored the effect of population size and distance on the spread of disease and tested assumptions regarding density dependence in connectivity between cities. We employed Bayesian Markov Chain Monte Carlo methods to estimate parameters of the model for population, infectivity, distance and density dependence. We inferred the most likely transmission trees for both countries. For England and Wales, a model that estimated the degree of density dependence in connectivity between cities was preferable by deviance information criterion comparison. Early in the major wave, long distance infective interactions predominated, with local infection events more likely as the epidemic became widespread. For the US, with fewer more widely dispersed cities, statistical power was lacking to estimate population size dependence or the degree of density dependence, with the preferred model depending on distance only. We find that parameters estimated from the England and Wales dataset can be applied to the US data with no likelihood penalty. PMID:20573630

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levin, I.; Krayzman, V.; Woicik, J. C.

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Drag Coefficient Estimation in Orbit Determination

NASA Astrophysics Data System (ADS)

McLaughlin, Craig A.; Manee, Steve; Lichtenberg, Travis

2011-07-01

Drag modeling is the greatest uncertainty in the dynamics of low Earth satellite orbits where ballistic coefficient and density errors dominate drag errors. This paper examines fitted drag coefficients found as part of a precision orbit determination process for Stella, Starlette, and the GEOSAT Follow-On satellites from 2000 to 2005. The drag coefficients for the spherical Stella and Starlette satellites are assumed to be highly correlated with density model error. The results using MSIS-86, NRLMSISE-00, and NRLMSISE-00 with dynamic calibration of the atmosphere (DCA) density corrections are compared. The DCA corrections were formulated for altitudes of 200-600 km and are found to be inappropriate when applied at 800 km. The yearly mean fitted drag coefficients are calculated for each satellite for each year studied. The yearly mean drag coefficients are higher for Starlette than Stella, where Starlette is at a higher altitude. The yearly mean fitted drag coefficients for all three satellites decrease as solar activity decreases after solar maximum.

Effect of occlusion, directionality and age on horizontal localization

NASA Astrophysics Data System (ADS)

Alworth, Lynzee Nicole

Localization acuity of a given listener is dependent upon the ability discriminate between interaural time and level disparities. Interaural time differences are encoded by low frequency information whereas interaural level differences are encoded by high frequency information. Much research has examined effects of hearing aid microphone technologies and occlusion separately and prior studies have not evaluated age as a factor in localization acuity. Open-fit hearing instruments provide new earmold technologies and varying microphone capabilities; however, these instruments have yet to be evaluated with regard to horizontal localization acuity. Thus, the purpose of this study is to examine the effects of microphone configuration, type of dome in open-fit hearing instruments, and age on the horizontal localization ability of a given listener. Thirty adults participated in this study and were grouped based upon hearing sensitivity and age (young normal hearing, >50 years normal hearing, >50 hearing impaired). Each normal hearing participant completed one localization experiment (unaided/unamplified) where they listened to the stimulus "Baseball" and selected the point of origin. Hearing impaired listeners were fit with the same two receiver-in-the-ear hearing aids and same dome types, thus controlling for microphone technologies, type of dome, and fitting between trials. Hearing impaired listeners completed a total of 7 localization experiments (unaided/unamplified; open dome: omnidirectional, adaptive directional, fixed directional; micromold: omnidirectional, adaptive directional, fixed directional). Overall, results of this study indicate that age significantly affects horizontal localization ability as younger adult listeners with normal hearing made significantly fewer localization errors than older adult listeners with normal hearing. Also, results revealed a significant difference in performance between dome type; however, upon further examination was not significant. Therefore, results examining type of dome should be viewed with caution. Results examining microphone configuration and microphone configuration by dome type were not significant. Moreover, results evaluating performance relative to unaided (unamplified) were not significant. Taken together, these results suggest open-fit hearing instruments, regardless of microphone or dome type, do not degrade horizontal localization acuity within a given listener relative to their 'older aged' normal hearing counterparts in quiet environments.

Universality Classes of Interaction Structures for NK Fitness Landscapes

NASA Astrophysics Data System (ADS)

Hwang, Sungmin; Schmiegelt, Benjamin; Ferretti, Luca; Krug, Joachim

2018-07-01

Kauffman's NK-model is a paradigmatic example of a class of stochastic models of genotypic fitness landscapes that aim to capture generic features of epistatic interactions in multilocus systems. Genotypes are represented as sequences of L binary loci. The fitness assigned to a genotype is a sum of contributions, each of which is a random function defined on a subset of k ≤ L loci. These subsets or neighborhoods determine the genetic interactions of the model. Whereas earlier work on the NK model suggested that most of its properties are robust with regard to the choice of neighborhoods, recent work has revealed an important and sometimes counter-intuitive influence of the interaction structure on the properties of NK fitness landscapes. Here we review these developments and present new results concerning the number of local fitness maxima and the statistics of selectively accessible (that is, fitness-monotonic) mutational pathways. In particular, we develop a unified framework for computing the exponential growth rate of the expected number of local fitness maxima as a function of L, and identify two different universality classes of interaction structures that display different asymptotics of this quantity for large k. Moreover, we show that the probability that the fitness landscape can be traversed along an accessible path decreases exponentially in L for a large class of interaction structures that we characterize as locally bounded. Finally, we discuss the impact of the NK interaction structures on the dynamics of evolution using adaptive walk models.

Local Fitness Landscapes Predict Yeast Evolutionary Dynamics in Directionally Changing Environments.

PubMed

Gorter, Florien A; Aarts, Mark G M; Zwaan, Bas J; de Visser, J Arjan G M

2018-01-01

The fitness landscape is a concept that is widely used for understanding and predicting evolutionary adaptation. The topography of the fitness landscape depends critically on the environment, with potentially far-reaching consequences for evolution under changing conditions. However, few studies have assessed directly how empirical fitness landscapes change across conditions, or validated the predicted consequences of such change. We previously evolved replicate yeast populations in the presence of either gradually increasing, or constant high, concentrations of the heavy metals cadmium (Cd), nickel (Ni), and zinc (Zn), and analyzed their phenotypic and genomic changes. Here, we reconstructed the local fitness landscapes underlying adaptation to each metal by deleting all repeatedly mutated genes both by themselves and in combination. Fitness assays revealed that the height, and/or shape, of each local fitness landscape changed considerably across metal concentrations, with distinct qualitative differences between unconditionally (Cd) and conditionally toxic metals (Ni and Zn). This change in topography had particularly crucial consequences in the case of Ni, where a substantial part of the individual mutational fitness effects changed in sign across concentrations. Based on the Ni landscape analyses, we made several predictions about which mutations had been selected when during the evolution experiment. Deep sequencing of population samples from different time points generally confirmed these predictions, demonstrating the power of landscape reconstruction analyses for understanding and ultimately predicting evolutionary dynamics, even under complex scenarios of environmental change. Copyright © 2018 by the Genetics Society of America.

Universality Classes of Interaction Structures for NK Fitness Landscapes

NASA Astrophysics Data System (ADS)

Hwang, Sungmin; Schmiegelt, Benjamin; Ferretti, Luca; Krug, Joachim

2018-02-01

Kauffman's NK-model is a paradigmatic example of a class of stochastic models of genotypic fitness landscapes that aim to capture generic features of epistatic interactions in multilocus systems. Genotypes are represented as sequences of L binary loci. The fitness assigned to a genotype is a sum of contributions, each of which is a random function defined on a subset of k ≤ L loci. These subsets or neighborhoods determine the genetic interactions of the model. Whereas earlier work on the NK model suggested that most of its properties are robust with regard to the choice of neighborhoods, recent work has revealed an important and sometimes counter-intuitive influence of the interaction structure on the properties of NK fitness landscapes. Here we review these developments and present new results concerning the number of local fitness maxima and the statistics of selectively accessible (that is, fitness-monotonic) mutational pathways. In particular, we develop a unified framework for computing the exponential growth rate of the expected number of local fitness maxima as a function of L, and identify two different universality classes of interaction structures that display different asymptotics of this quantity for large k. Moreover, we show that the probability that the fitness landscape can be traversed along an accessible path decreases exponentially in L for a large class of interaction structures that we characterize as locally bounded. Finally, we discuss the impact of the NK interaction structures on the dynamics of evolution using adaptive walk models.

Evolution of complex density-dependent dispersal strategies.

PubMed

Parvinen, Kalle; Seppänen, Anne; Nagy, John D

2012-11-01

The question of how dispersal behavior is adaptive and how it responds to changes in selection pressure is more relevant than ever, as anthropogenic habitat alteration and climate change accelerate around the world. In metapopulation models where local populations are large, and thus local population size is measured in densities, density-dependent dispersal is expected to evolve to a single-threshold strategy, in which individuals stay in patches with local population density smaller than a threshold value and move immediately away from patches with local population density larger than the threshold. Fragmentation tends to convert continuous populations into metapopulations and also to decrease local population sizes. Therefore we analyze a metapopulation model, where each patch can support only a relatively small local population and thus experience demographic stochasticity. We investigated the evolution of density-dependent dispersal, emigration and immigration, in two scenarios: adult and natal dispersal. We show that density-dependent emigration can also evolve to a nonmonotone, "triple-threshold" strategy. This interesting phenomenon results from an interplay between the direct and indirect benefits of dispersal and the costs of dispersal. We also found that, compared to juveniles, dispersing adults may benefit more from density-dependent vs. density-independent dispersal strategies.

Excitation of Molecular Hydrogen in the Orion Bar Photodissociation Region from a Deep Near-infrared IGRINS Spectrum

NASA Astrophysics Data System (ADS)

Kaplan, Kyle F.; Dinerstein, Harriet L.; Oh, Heeyoung; Mace, Gregory N.; Kim, Hwihyun; Sokal, Kimberly R.; Pavel, Michael D.; Lee, Sungho; Pak, Soojong; Park, Chan; Sok Oh, Jae; Jaffe, Daniel T.

2017-04-01

We present a deep near-infrared spectrum of the Orion Bar Photodissociation Region (PDR) taken with the Immersion Grating INfrared Spectrometer (IGRINS) on the 2.7 m telescope at the McDonald Observatory. IGRINS has high spectral resolution (R˜ {{45,000}}) and instantaneous broad wavelength coverage (1.45-2.45 μm), enabling us to detect 87 emission lines from rovibrationally excited molecular hydrogen (H2) that arise from transitions out of 69 upper rovibration levels of the electronic ground state. These levels cover a large range of rotational and vibrational quantum numbers and excitation energies, making them excellent probes of the excitation mechanisms of H2 and physical conditions within the PDR. The Orion Bar PDR is thought to consist of cooler high density clumps or filaments (T=50{--}250 K, {n}H={10}5{--}{10}7 cm-3) embedded in a warmer lower density medium (T=250{--}1000 K, {n}H={10}4{--}{10}5 cm-3). We fit a grid of constant temperature and density Cloudy models, which recreate the observed H2 level populations well, to constrain the temperature to a range of 600-650 K and the density to {n}H=2.5× {10}3{--}{10}4 cm-3. The best-fit model gives T = 625 K and {n}H=5× {10}3 cm-3. This well-constrained warm temperature is consistent with kinetic temperatures found by other studies for the Orion Bar’s lower density medium. However, the range of densities well fit by the model grid is marginally lower than those reported by other studies. We could be observing lower density gas than the surrounding medium, or perhaps a density-sensitive parameter in our models is not properly estimated.

The H0 tension in light of vacuum dynamics in the universe

NASA Astrophysics Data System (ADS)

Solà, Joan; Gómez-Valent, Adrià; de Cruz Pérez, Javier

2017-11-01

Despite the outstanding achievements of modern cosmology, the classical dispute on the precise value of H0, which is the first ever parameter of modern cosmology and one of the prime parameters in the field, still goes on and on after over half a century of measurements. Recently the dispute came to the spotlight with renewed strength owing to the significant tension (at > 3 σ c.l.) between the latest Planck determination obtained from the CMB anisotropies and the local (distance ladder) measurement from the Hubble Space Telescope (HST), based on Cepheids. In this work, we investigate the impact of the running vacuum model (RVM) and related models on such a controversy. For the RVM, the vacuum energy density ρΛ carries a mild dependence on the cosmic expansion rate, i.e. ρΛ (H), which allows to ameliorate the fit quality to the overall SNIa + BAO + H (z) + LSS + CMB cosmological observations as compared to the concordance ΛCDM model. By letting the RVM to deviate from the vacuum option, the equation of state w = - 1 continues to be favored by the overall fit. Vacuum dynamics also predicts the following: i) the CMB range of values for H0 is more favored than the local ones, and ii) smaller values for σ8 (0). As a result, a better account for the LSS structure formation data is achieved as compared to the ΛCDM, which is based on a rigid (i.e. non-dynamical) Λ term.

Environmental risk of leptospirosis infections in the Netherlands: Spatial modelling of environmental risk factors of leptospirosis in the Netherlands.

PubMed

Rood, Ente J J; Goris, Marga G A; Pijnacker, Roan; Bakker, Mirjam I; Hartskeerl, Rudy A

2017-01-01

Leptospirosis is a globally emerging zoonotic disease, associated with various climatic, biotic and abiotic factors. Mapping and quantifying geographical variations in the occurrence of leptospirosis and the surrounding environment offer innovative methods to study disease transmission and to identify associations between the disease and the environment. This study aims to investigate geographic variations in leptospirosis incidence in the Netherlands and to identify associations with environmental factors driving the emergence of the disease. Individual case data derived over the period 1995-2012 in the Netherlands were geocoded and aggregated by municipality. Environmental covariate data were extracted for each municipality and stored in a spatial database. Spatial clusters were identified using kernel density estimations and quantified using local autocorrelation statistics. Associations between the incidence of leptospirosis and the local environment were determined using Simultaneous Autoregressive Models (SAR) explicitly modelling spatial dependence of the model residuals. Leptospirosis incidence rates were found to be spatially clustered, showing a marked spatial pattern. Fitting a spatial autoregressive model significantly improved model fit and revealed significant association between leptospirosis and the coverage of arable land, built up area, grassland and sabulous clay soils. The incidence of leptospirosis in the Netherlands could effectively be modelled using a combination of soil and land-use variables accounting for spatial dependence of incidence rates per municipality. The resulting spatially explicit risk predictions provide an important source of information which will benefit clinical awareness on potential leptospirosis infections in endemic areas.

Environmental risk of leptospirosis infections in the Netherlands: Spatial modelling of environmental risk factors of leptospirosis in the Netherlands

PubMed Central

Goris, Marga G. A.; Pijnacker, Roan; Bakker, Mirjam I.; Hartskeerl, Rudy A.

2017-01-01

Leptospirosis is a globally emerging zoonotic disease, associated with various climatic, biotic and abiotic factors. Mapping and quantifying geographical variations in the occurrence of leptospirosis and the surrounding environment offer innovative methods to study disease transmission and to identify associations between the disease and the environment. This study aims to investigate geographic variations in leptospirosis incidence in the Netherlands and to identify associations with environmental factors driving the emergence of the disease. Individual case data derived over the period 1995–2012 in the Netherlands were geocoded and aggregated by municipality. Environmental covariate data were extracted for each municipality and stored in a spatial database. Spatial clusters were identified using kernel density estimations and quantified using local autocorrelation statistics. Associations between the incidence of leptospirosis and the local environment were determined using Simultaneous Autoregressive Models (SAR) explicitly modelling spatial dependence of the model residuals. Leptospirosis incidence rates were found to be spatially clustered, showing a marked spatial pattern. Fitting a spatial autoregressive model significantly improved model fit and revealed significant association between leptospirosis and the coverage of arable land, built up area, grassland and sabulous clay soils. The incidence of leptospirosis in the Netherlands could effectively be modelled using a combination of soil and land-use variables accounting for spatial dependence of incidence rates per municipality. The resulting spatially explicit risk predictions provide an important source of information which will benefit clinical awareness on potential leptospirosis infections in endemic areas. PMID:29065186

Experimental analysis of insertion torques and forces of threaded and press-fit acetabular cups by means of ex vivo and in vivo measurements.

PubMed

Vogel, Danny; Rathay, Andreas; Teufel, Stephanie; Ellenrieder, Martin; Zietz, Carmen; Sander, Manuela; Bader, Rainer

2017-01-01

In THA a sufficient primary implant stability is the precondition for successful secondary stability. Industrial foams of different densities have been used for primary stability investigations. The aim of this study was to analyse and compare the insertion behaviour of threaded and press-fit cups in vivo and ex vivo using bone substitutes with various densities. Two threaded (Bicon Plus®, Trident® TC) and one press-fit cup (Trident PSL®) were inserted by orthopaedic surgeons (S1, S2) into 10, 20 and 31 pcf blocks, using modified surgical instruments allowing measurements of the insertion forces and torques. Furthermore, the insertion behaviour of two cups were analysed intraoperatively. Torques for the threaded cups increased while bone substitute density increased. Maximum insertion torques were observed for S2 with 102 Nm for the Bicon Plus® in 20 pcf blocks and 77 Nm for the Trident® TC in 31 pcf blocks, which compares to the in vivo measurement (85 Nm). The average insertion forces for the press-fit cup varied from 5.2 to 6.8 kN (S1) and 7.2-11.5 kN (S2) ex vivo. Intraoperatively an average insertion force of 8.0 kN was determined. Implantation behaviour was influenced by acetabular cup design, bone substitute and experience of the surgeon. No specific density of bone substitute could be favoured for ex vivo investigations on the implantation behaviour of acetabular cups. The use synthetic bone blocks of high density (31 pcf) led to problems regarding cup orientation and seating. Therefore, bone substitutes used should be critically scrutinized in terms of the comparability to the in vivo situation.

Monitoring carnivore populations at the landscape scale: occupancy modelling of tigers from sign surveys

USGS Publications Warehouse

Karanth, Kota Ullas; Gopalaswamy, Arjun M.; Kumar, Narayanarao Samba; Vaidyanathan, Srinivas; Nichols, James D.; MacKenzie, Darryl I.

2011-01-01

1. Assessing spatial distributions of threatened large carnivores at landscape scales poses formidable challenges because of their rarity and elusiveness. As a consequence of logistical constraints, investigators typically rely on sign surveys. Most survey methods, however, do not explicitly address the central problem of imperfect detections of animal signs in the field, leading to underestimates of true habitat occupancy and distribution. 2. We assessed habitat occupancy for a tiger Panthera tigris metapopulation across a c. 38 000-km2 landscape in India, employing a spatially replicated survey to explicitly address imperfect detections. Ecological predictions about tiger presence were confronted with sign detection data generated from occupancy sampling of 205 sites, each of 188 km2. 3. A recent occupancy model that considers Markovian dependency among sign detections on spatial replicates performed better than the standard occupancy model (ΔAIC = 184·9). A formulation of this model that fitted the data best showed that density of ungulate prey and levels of human disturbance were key determinants of local tiger presence. Model averaging resulted in a replicate-level detection probability [inline image] = 0·17 (0·17) for signs and a tiger habitat occupancy estimate of [inline image] = 0·665 (0·0857) or 14 076 (1814) km2 of potential habitat of 21 167 km2. In contrast, a traditional presence-versus-absence approach underestimated occupancy by 47%. Maps of probabilities of local site occupancy clearly identified tiger source populations at higher densities and matched observed tiger density variations, suggesting their potential utility for population assessments at landscape scales. 4. Synthesis and applications. Landscape-scale sign surveys can efficiently assess large carnivore spatial distributions and elucidate the factors governing their local presence, provided ecological and observation processes are both explicitly modelled. Occupancy sampling using spatial replicates can be used to reliably and efficiently identify tiger population sources and help monitor metapopulations. Our results reinforce earlier findings that prey depletion and human disturbance are key drivers of local tiger extinctions and tigers can persist even in human-dominated landscapes through effective protection of source populations. Our approach facilitates efficient targeting of tiger conservation interventions and, more generally, provides a basis for the reliable integration of large carnivore monitoring data between local and landscape scales.

Low-temperature transport properties of TaxN thin films (0.72 <= x <= 0.83)

NASA Astrophysics Data System (ADS)

Očko, Miroslav; Žonja, Sanja; Nelson, G. L.; Freericks, J. K.; Yu, Lei; Newman, N.

2010-11-01

We report on low-temperature (4-320 K) transport properties of TaxN thin films deposited on an amorphous SiO2 substrate. In this work, TaxN thin films were restricted to a narrow range of x: 0.72 <= x <= 0.83 yet show considerable and nonmonotonic variation of their transport properties with Ta concentration. This behaviour is consistent with a local minimum in the density of electronic states at the Fermi level, as calculated for the rock salt intermetallic Ta4N5, and a rigid band model for describing the transport. The temperature dependence of the resistivity is best fit to the unusual form exp(-T/T0). Interestingly enough, the fit parameter T0 correlates well with the temperature of the maximum of the corresponding thermopower. Both of these characteristics, the fit and the correlation with the thermopower, are consistent with the Jonson-Mahan many-body formalism for charge and thermal transport when one has a nontrivial temperature dependence of the chemical potential. At the lowest temperatures measured, we have also found that the resistivity and thermopower show signatures of electron-electron interactions. We discuss also our results in the light of some theories usually used for describing transport of thin films and to other experimental investigations that have been performed on TaxN.

Heterozygosity-fitness correlations in a wild mammal population: accounting for parental and environmental effects.

PubMed

Annavi, Geetha; Newman, Christopher; Buesching, Christina D; Macdonald, David W; Burke, Terry; Dugdale, Hannah L

2014-06-01

HFCs (heterozygosity-fitness correlations) measure the direct relationship between an individual's genetic diversity and fitness. The effects of parental heterozygosity and the environment on HFCs are currently under-researched. We investigated these in a high-density U.K. population of European badgers (Meles meles), using a multimodel capture-mark-recapture framework and 35 microsatellite loci. We detected interannual variation in first-year, but not adult, survival probability. Adult females had higher annual survival probabilities than adult males. Cubs with more heterozygous fathers had higher first-year survival, but only in wetter summers; there was no relationship with individual or maternal heterozygosity. Moist soil conditions enhance badger food supply (earthworms), improving survival. In dryer years, higher indiscriminate mortality rates appear to mask differential heterozygosity-related survival effects. This paternal interaction was significant in the most supported model; however, the model-averaged estimate had a relative importance of 0.50 and overlapped zero slightly. First-year survival probabilities were not correlated with the inbreeding coefficient (f); however, small sample sizes limited the power to detect inbreeding depression. Correlations between individual heterozygosity and inbreeding were weak, in line with published meta-analyses showing that HFCs tend to be weak. We found support for general rather than local heterozygosity effects on first-year survival probability, and g2 indicated that our markers had power to detect inbreeding. We emphasize the importance of assessing how environmental stressors can influence the magnitude and direction of HFCs and of considering how parental genetic diversity can affect fitness-related traits, which could play an important role in the evolution of mate choice.

Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity

NASA Astrophysics Data System (ADS)

Staller, Corey M.; Robinson, Zachary L.; Agrawal, Ankit; Gibbs, Stephen L.; Greenberg, Benjamin L.; Lounis, Sebastien D.; Kortshagen, Uwe R.; Milliron, Delia J.

2018-05-01

Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data shows electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and, in agreement with variable temperature conductivity fits, find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

Tight-binding calculation of single-band and generalized Wannier functions of graphene

NASA Astrophysics Data System (ADS)

Ribeiro, Allan Victor; Bruno-Alfonso, Alexys

Recent work has shown that a tight-binding approach associated with Wannier functions (WFs) provides an intuitive physical image of the electronic structure of graphene. Regarding the case of graphene, Marzari et al. displayed the calculated WFs and presented a comparison between the Wannier-interpolated bands and the bands generated by using the density-functional code. Jung and MacDonald provided a tight-binding model for the π-bands of graphene that involves maximally localized Wannier functions (MLWFs). The mixing of the bands yields better localized WFs. In the present work, the MLWFs of graphene are calculated by combining the Quantum-ESPRESSO code and tight-binding approach. The MLWFs of graphene are calculated from the Bloch functions obtained through a tight binding approach that includes interactions and overlapping obtained by partially fitting the DFT bands. The phase of the Bloch functions of each band is appropriately chosen to produce MLWFs. The same thing applies to the coefficients of their linear combination in the generalized case. The method allows for an intuitive understanding of the maximally localized WFs of graphene and shows excellent agreement with the literature. Moreover, it provides accurate results at reduced computational cost.

Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity.

PubMed

Staller, Corey M; Robinson, Zachary L; Agrawal, Ankit; Gibbs, Stephen L; Greenberg, Benjamin L; Lounis, Sebastien D; Kortshagen, Uwe R; Milliron, Delia J

2018-05-09

Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data show electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and in agreement with variable temperature conductivity fits find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

EVALUATING THE MORPHOLOGY OF THE LOCAL INTERSTELLAR MEDIUM: USING NEW DATA TO DISTINGUISH BETWEEN MULTIPLE DISCRETE CLOUDS AND A CONTINUOUS MEDIUM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Redfield, Seth; Linsky, Jeffrey L., E-mail: sredfield@wesleyan.edu, E-mail: jlinsky@jila.colorado.edu

Ultraviolet and optical spectra of interstellar gas along the lines of sight to nearby stars have been interpreted by Redfield and Linsky and previous studies as a set of discrete warm, partially ionized clouds each with a different flow vector, temperature, and metal depletion. Recently, Gry and Jenkins proposed a fundamentally different model consisting of a single cloud with nonrigid flows filling space out to 9 pc from the Sun that they propose better describes the local ISM. Here we test these fundamentally different morphological models against the spatially unbiased Malamut et al. spectroscopic data set, and find that themore » multiple cloud morphology model provides a better fit to both the new and old data sets. The detection of three or more velocity components along the lines of sight to many nearby stars, the presence of nearby scattering screens, the observed thin elongated structures of warm interstellar gas, and the likely presence of strong interstellar magnetic fields also support the multiple cloud model. The detection and identification of intercloud gas and the measurement of neutral hydrogen density in clouds beyond the Local Interstellar Cloud could provide future morphological tests.« less

Propulsion Physics Using the Chameleon Density Model

NASA Technical Reports Server (NTRS)

Robertson, Glen A.

2011-01-01

To grow as a space faring race, future spaceflight systems will require a new theory of propulsion. Specifically one that does not require mass ejection without limiting the high thrust necessary to accelerate within or beyond our solar system and return within a normal work period or lifetime. The Chameleon Density Model (CDM) is one such model that could provide new paths in propulsion toward this end. The CDM is based on Chameleon Cosmology a dark matter theory; introduced by Khrouy and Weltman in 2004. Chameleon as it is hidden within known physics, where the Chameleon field represents a scalar field within and about an object; even in the vacuum. The CDM relates to density changes in the Chameleon field, where the density changes are related to matter accelerations within and about an object. These density changes in turn change how an object couples to its environment. Whereby, thrust is achieved by causing a differential in the environmental coupling about an object. As a demonstration to show that the CDM fits within known propulsion physics, this paper uses the model to estimate the thrust from a solid rocket motor. Under the CDM, a solid rocket constitutes a two body system, i.e., the changing density of the rocket and the changing density in the nozzle arising from the accelerated mass. Whereby, the interactions between these systems cause a differential coupling to the local gravity environment of the earth. It is shown that the resulting differential in coupling produces a calculated value for the thrust near equivalent to the conventional thrust model used in Sutton and Ross, Rocket Propulsion Elements. Even though imbedded in the equations are the Universe energy scale factor, the reduced Planck mass and the Planck length, which relates the large Universe scale to the subatomic scale.

Local population density and group composition influence the signal-preference relationship in Enchenopa treehoppers (Hemiptera: Membracidae).

PubMed

Fowler-Finn, K D; Cruz, D C; Rodríguez, R L

2017-01-01

Many animals exhibit social plasticity - changes in phenotype or behaviour in response to experience with conspecifics that change how evolutionary processes like sexual selection play out. Here, we asked whether social plasticity arising from variation in local population density in male advertisement signals and female mate preferences influences the form of sexual selection. We manipulated local density and determined whether this changed how the distribution of male signals overlapped with female preferences - the signal preference relationship. We specifically look at the shape of female mate preference functions, which, when compared to signal distributions, provide hypotheses about the form of sexual selection. We used Enchenopa binotata treehoppers, a group of plant-feeding insects that exhibit natural variation in local densities across individual host plants, populations, species and years. We measured male signal frequency and female preference functions across the density treatments. We found that male signals varied across local social groups, but not according to local density. By contrast, female preferences varied with local density - favouring higher signal frequencies in denser environments. Thus, local density changes the signal-preference relationship and, consequently, the expected form of sexual selection. We found no influence of sex ratio on the signal-preference relationship. Our findings suggest that plasticity arising from variation in local group density and composition can alter the form of sexual selection with potentially important consequences both for the maintenance of variation and for speciation. © 2016 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2016 European Society For Evolutionary Biology.

Temperatures of dust and gas in S 140

NASA Astrophysics Data System (ADS)

Koumpia, E.; Harvey, P. M.; Ossenkopf, V.; van der Tak, F. F. S.; Mookerjea, B.; Fuente, A.; Kramer, C.

2015-08-01

Context. In dense parts of interstellar clouds (≥105 cm-3), dust and gas are expected to be in thermal equilibrium, being coupled via collisions. However, previous studies have shown that in the presence of intense radiation fields, the temperatures of the dust and gas may remain decoupled even at higher densities. Aims: The objective of this work is to study in detail the temperatures of dust and gas in the photon-dominated region S 140, especially around the deeply embedded infrared sources IRS 1-3 and at the ionization front. Methods: We derive the dust temperature and column density by combining Herschel-PACS continuum observations with SOFIA observations at 37 μm and SCUBA data at 450 μm. We model these observations using simple greybody fits and the DUSTY radiative transfer code. For the gas analysis we use RADEX to model the CO 1-0, CO 2-1, 13CO 1-0 and C18O 1-0 emission lines mapped with the IRAM-30 m telescope over a 4' field. Around IRS 1-3, we use HIFI observations of single-points and cuts in CO 9-8, 13CO 10-9 and C18O 9-8 to constrain the amount of warm gas, using the best fitting dust model derived with DUSTY as input to the non-local radiative transfer model RATRAN. The velocity information in the lines allows us to separate the quiescent component from outflows when deriving the gas temperature and column density. Results: We find that the gas temperature around the infrared sources varies between ~35 and ~55 K. In contrast to expectation, the gas is systematically warmer than the dust by ~5-15 K despite the high gas density. In addition we observe an increase of the gas temperature from 30-35 K in the surrounding up to 40-45 K towards the ionization front, most likely due to the UV radiation from the external star. Furthermore, detailed models of the temperature structure close to IRS 1 which take the known density gradient into account show that the gas is warmer and/or denser than what we model. Finally, modelling of the dust emission from the sub-mm peak SMM 1 constrains its luminosity to a few ×102L⊙. Conclusions: We conclude that the gas heating in the S 140 region is very efficient even at high densities. The most likely explanation is deep UV penetration from the embedded sources in a clumpy medium and/or oblique shocks. Based on Herschel observations. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Final Herschel and IRAM data (cube) as FITS files are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/580/A68

Star formation in M 33: the radial and local relations with the gas

NASA Astrophysics Data System (ADS)

Verley, S.; Corbelli, E.; Giovanardi, C.; Hunt, L. K.

2010-02-01

Aims: In the Local Group spiral galaxy M 33, we investigate the correlation between the star formation rate (SFR) surface density, Σ_SFR, and the gas density Σ_gas (molecular, atomic, and total). We also explore whether there are other physical quantities, such as the hydrostatic pressure and dust optical depth, which establish a good correlation with Σ_SFR. Methods: We use the Hα, far-ultraviolet (FUV), and bolometric emission maps to infer the SFR locally at different spatial scales, and in radial bins using azimuthally averaged values. Most of the local analysis is done using the highest spatial resolution allowed by gas surveys, 180 pc. The Kennicutt-Schmidt (KS) law, Σ_SFR ∝ Σ_gas^n is analyzed by three statistical methods. Results: At all spatial scales, with Hα emission as a SFR tracer, the KS indices n are always steeper than those derived with the FUV and bolometric emissions. We attribute this to the lack of Hα emission in low luminosity regions where most stars form in small clusters with an incomplete initial mass function at their high mass end. For azimuthally averaged values the depletion timescale for the molecular gas is constant, and the KS index is n_H_2=1.1 ±0.1. Locally, at a spatial resolution of 180 pc, the correlation between Σ_SFR and Σ_gas is generally poor, even though it is tighter with the molecular and total gas than with the atomic gas alone. Considering only positions where the CO J=1-0 line is above the 2-σ detection threshold and taking into account uncertainties in Σ_H_2 and Σ_SFR, we obtain a steeper KS index than obtained with radial averages: n_H_2=2.22 ±0.07 (for FUV and bolometric SFR tracers), flatter than that relative to the total gas (n_Htot=2.59 ±0.05). The gas depletion timescale is therefore larger in regions of lower Σ_SFR. Lower KS indices (n_H_2=1.46 ±0.34 and n_H_2=1.12) are found using different fitting techniques, which do not account for individual position uncertainties. At coarser spatial resolutions these indices get slightly steeper, and the correlation improves. We find an almost linear relation and a better correlation coefficient between the local Σ_SFR and the ISM hydrostatic pressure or the gas volume density. This suggests that the stellar disk, gravitationally dominant with respect to the gaseous disk in M 33, has a non-marginal role in driving the SFR. However, the tight local correlation that exists between the dust optical depth and the SFR sheds light on the alternative hypothesis that the dust column density is a good tracer of the gas that is prone to star formation.

Body composition and physical fitness in women with bulimia nervosa or binge‐eating disorder

PubMed Central

Rosenvinge, Jan H.; Friborg, Oddgeir; Pettersen, Gunn; Stensrud, Trine; Hansen, Bjørge Herman; Underhaug, Karoline E.; Teinung, Elisabeth; Vrabel, KariAnne; Svendsen, Mette; Bratland‐Sanda, Solfrid; Sundgot‐Borgen, Jorunn

2018-01-01

Abstract Objective Knowledge about physical fitness in women with bulimia nervosa (BN) or binge‐eating disorder (BED) is sparse. Previous studies have measured physical activity largely through self‐report, and physical fitness variables are mainly restricted to body mass index (BMI) and bone mineral density. We expanded the current knowledge in these groups by including a wider range of physical fitness indicators and objective measures of physical activity, assessed the influence of a history of anorexia nervosa (AN), and evaluated predictive variables for physical fitness. Method Physical activity, blood pressure, cardiorespiratory fitness (CRF), muscle strength, body composition, and bone mineral density were measured in 156 women with BN or BED, with mean (SD) age 28.4 years (5.7) and BMI 25.3 (4.8) kg m−2. Results Level of physical activity was higher than normative levels, still <50% met the official physical activity recommendation. Fitness in women with BN were on an average comparable with recommendations or normative levels, while women with BED had lower CRF and higher BMI, VAT, and body fat percentage. We found 10–12% with masked obesity. A history of AN did not predict current physical fitness, still values for current body composition were lower when comparing those with history of AN to those with no such history. Discussion Overall, participants with BN or BED displayed adequate physical fitness; however, a high number had unfavorable CRF and body composition. This finding calls for inclusion of physical fitness in routine clinical examinations and guided physical activity and dietary recommendations in the treatment of BN and BED. PMID:29473191

Local structure in BaTi O 3 - BiSc O 3 dipole glasses

DOE PAGES

Levin, I.; Krayzman, V.; Woicik, J. C.; ...

2016-03-14

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Multi-instrument observations of a failed flare eruption associated with MHD waves in a loop bundle

NASA Astrophysics Data System (ADS)

Nisticò, G.; Polito, V.; Nakariakov, V. M.; Del Zanna, G.

2017-04-01

Context. We present observations of a B7.9-class flare that occurred on the 24th January, 2015, using the Atmospheric Imaging Assembly (AIA) of the Solar Dynamics Observatory (SDO), the EUV Imaging Spectrometer (EIS) and the X-Ray Telescope of Hinode. The flare triggers the eruption of a dense cool plasma blob as seen in AIA 171 Å, which is unable to completely break out and remains confined within a local bundle of active region loops. During this process, transverse oscillations of the threads are observed. The cool plasma is then observed to descend back to the chromosphere along each loop strand. At the same time, a larger diffuse co-spatial loop observed in the hot wavebands of SDO/AIA and Hinode/XRT is formed, exhibiting periodic intensity variations along its length. Aims: The formation and evolution of magnetohydrodynamic (MHD) waves depend upon the values of the local plasma parameters (e.g. density, temperature and magnetic field), which can hence be inferred by coronal seismology. In this study we aim to assess how the observed MHD modes are affected by the variation of density and temperature. Methods: We combined analysis of EUV/X-ray imaging and spectroscopy using SDO/AIA, Hinode/EIS and XRT. Results: The transverse oscillations of the cool loop threads are interpreted in terms of vertically polarised kink oscillations. The fitting procedure applied to the loop displacement time series gives a period of 3.5 to 4 min, and an amplitude of 5 Mm. The oscillations are strongly damped showing very low quality factor (1.5-2), which is defined as the ratio of the damping time and the oscillation period. The weak variation of the period of the kink wave, which is estimated from the fitting analysis, is in agreement with the density variations due to the presence of the plasma blob inferred from the intensity light curve at 171 Å. The coexisting intensity oscillations along the hot loop are interpreted as a slow MHD wave with a period of 10 min and phase speed of approximately 436 km s-1. Comparison between the fast and slow modes allows for the determination of the Alfvén speed, and consequently magnetic field values. The plasma-β inferred from the analysis is estimated to be approximately 0.1-0.3. Conclusions: We show that the evolution of the detected waves is determined by the temporal variations of the local plasma parameters, caused by the flare heating and the consequent cooling. We apply coronal seismology to both waves obtaining estimates of the background plasma parameters. Movies are available at http://www.aanda.org

Locality of correlation in density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burke, Kieron; Cancio, Antonio; Gould, Tim

The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi (TF) approximation in the non-relativistic semiclassical (or large-Z) limit for all matter, i.e., the kinetic energy becomes local. Exchange also becomes local in this limit. Numerical data on the correlation energy of atoms support the conjecture that this is also true for correlation, but much less relevant to atoms. We illustrate how expansions around a large particle number are equivalent to local density approximations and their strong relevance to density functional approximations. Analyzing highly accurate atomic correlation energies, we show that E{sub C} → −A{sub C} ZlnZ +more » B{sub C}Z as Z → ∞, where Z is the atomic number, A{sub C} is known, and we estimate B{sub C} to be about 37 mhartree. The local density approximation yields A{sub C} exactly, but a very incorrect value for B{sub C}, showing that the local approximation is less relevant for the correlation alone. This limit is a benchmark for the non-empirical construction of density functional approximations. We conjecture that, beyond atoms, the leading correction to the local density approximation in the large-Z limit generally takes this form, but with B{sub C} a functional of the TF density for the system. The implications for the construction of approximate density functionals are discussed.« less

Profound Effects of Population Density on Fitness-Related Traits in an Invasive Freshwater Snail

PubMed Central

Zachar, Nicholas; Neiman, Maurine

2013-01-01

Population density can profoundly influence fitness-related traits and population dynamics, and density dependence plays a key role in many prominent ecological and evolutionary hypotheses. Here, we evaluated how individual-level changes in population density affect growth rate and embryo production early in reproductive maturity in two different asexual lineages of Potamopyrgus antipodarum, a New Zealand freshwater snail that is an important model system for ecotoxicology and the evolution of sexual reproduction as well as a potentially destructive worldwide invader. We showed that population density had a major influence on individual growth rate and early-maturity embryo production, effects that were often apparent even when comparing treatments that differed in population density by only one individual. While individual growth rate generally decreased as population density increased, we detected a hump-shaped relationship between embryo production and density, with females from intermediate-density treatments producing the most embryos and females from low- and high-density treatments producing the fewest embryos. The two lineages responded similarly to the treatments, indicating that these effects of population density might apply more broadly across P. antipodarum. These results indicate that there are profound and complex relationships between population density, growth rate, and early-maturity embryo production in at least two lineages of this important model system, with potential implications for the study of invasive populations, research on the maintenance of sex, and approaches used in ecotoxicology. PMID:24278240

Profound effects of population density on fitness-related traits in an invasive freshwater snail.

PubMed

Zachar, Nicholas; Neiman, Maurine

2013-01-01

Population density can profoundly influence fitness-related traits and population dynamics, and density dependence plays a key role in many prominent ecological and evolutionary hypotheses. Here, we evaluated how individual-level changes in population density affect growth rate and embryo production early in reproductive maturity in two different asexual lineages of Potamopyrgus antipodarum, a New Zealand freshwater snail that is an important model system for ecotoxicology and the evolution of sexual reproduction as well as a potentially destructive worldwide invader. We showed that population density had a major influence on individual growth rate and early-maturity embryo production, effects that were often apparent even when comparing treatments that differed in population density by only one individual. While individual growth rate generally decreased as population density increased, we detected a hump-shaped relationship between embryo production and density, with females from intermediate-density treatments producing the most embryos and females from low- and high-density treatments producing the fewest embryos. The two lineages responded similarly to the treatments, indicating that these effects of population density might apply more broadly across P. antipodarum. These results indicate that there are profound and complex relationships between population density, growth rate, and early-maturity embryo production in at least two lineages of this important model system, with potential implications for the study of invasive populations, research on the maintenance of sex, and approaches used in ecotoxicology.

Relative fitness of alternative male reproductive tactics in a mammal varies between years.

PubMed

Schradin, Carsten; Lindholm, Anna K

2011-09-01

1. In many species, males can use different behavioural tactics to achieve fertilization, so-called alternative reproductive tactics (ARTs). Few field studies have measured fitness consequences of ARTs under varying environmental conditions. 2. Here, we describe fitness consequences of three phenotypically plastic ARTs in the African striped mouse (Rhabdomys pumilio) and show that relative fitness of ARTs differs between years. Each year represents a different generation. 3. For the generation living under high population density, tactics differed in relative fitness in accordance with the theory of conditional strategies, with highly successful territorial breeding males having 10 times higher success than solitary roaming males and 102 times higher success than adult natally philopatric males. 4. For the generation living under intermediate population density, the territorial breeding and roaming tactics yielded similar fitness, which would be in agreement with the theory of mixed strategies. No philopatric males occurred. 5. For the generation living under low population density, roaming was the only tactic used and some roamers had very high fitness. 6. The main prediction of status-dependent selection for conditional strategies is a correlation between fitness and status, often measured as body mass, but we did not find this correlation within tactics when more than one tactic was expressed in the population. 7. Female distribution seems to have an effect on which reproductive tactics male chose: female defence polygyny when females are clumped (interference competition), but a searching tactic when females are dispersed (scramble competition). In contrast to predictions arising from theory on scramble competition, male body mass was important in determining fitness only in the year when females were dispersed, but not in other years. 8. Our results indicate that the differentiation between conditional and mixed strategies is not an absolute one. In many other species, environmental conditions might fluctuate temporally and spatially so that the normally suboptimal tactic yields similar fitness to the (usually) dominant tactic or that only a single tactic prevails. 9. We suggest the term single strategy, independent of current fitness consequences, for systems where tactics are not genetically determined, in contrast to genetically determined alternative strategies. © 2011 The Authors. Journal of Animal Ecology © 2011 British Ecological Society.

Are state renewable feed-in tariff initiatives truly throttled by Federal statutes after the FERC California decision?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yaffe, David P.

For the last few years, several local and state governments have adopted ''feed-in tariffs'' to promote development of dispersed, small-scale renewable generation through incentive pricing. Most FITs are intended to stimulate development of small solar or renewable energy facilities. In July, FERC issued a decision restating that the Federal Power Act and PURPA 210, not state (or local) legislation, govern the price that local utilities may pay under FITs. (author)

Fitness and food environments around junior high schools in Taiwan and their association with body composition: Gender differences for recreational, reading, food and beverage exposures.

PubMed

Chiang, Po-Huang; Huang, Lin-Yuan; Lee, Meei-Shyuan; Tsou, Hui-Chen; Wahlqvist, Mark L

2017-01-01

School environments may contribute to adolescent behavior, reproductive physiology and body composition (BC). The Nutritional and Health Survey in Taiwan (2010) for 1458 junior high school students was geo-mapped for 30 school environs. Facilities for physical activity (fitness centers, gymnasia and sports stadiums, activity centers and parks), sedentary activities (reading material rental shops (RMRS), internet cafes) and food and beverage outlets (FBOs) were calculated as weighted numbers within 1000m of schools. Multiple linear regressions were used to predict BC variable z-scores. For boys, higher fitness center densities and, for girls, gymnasia and sports stadiums were associated with less abdominal fatness. For girls, body mass index, waist circumference (WC) and triceps skinfold thickness (TSF) were greater when RMRS density was higher as was TSF with internet café density. Where there were no FBOs, boys' WC and TSF were less with more parks, but girls were shorter and WC more adverse. With greater RMRS density and no FBOs, girls still had increased WC/Hip ratio, and less mid-arm muscle circumference. Boys' findings were more evident after considering puberty. Physical activity facilities (differently by gender), food and beverage outlets absence for boys and low reading material rental shop density for girls increase the likelihood of healthier body composition.

Data Fitting to Study Ablated Hard Dental Tissues by Nanosecond Laser Irradiation.

PubMed

Al-Hadeethi, Y; Al-Jedani, S; Razvi, M A N; Saeed, A; Abdel-Daiem, A M; Ansari, M Shahnawaze; Babkair, Saeed S; Salah, Numan A; Al-Mujtaba, A

2016-01-01

Laser ablation of dental hard tissues is one of the most important laser applications in dentistry. Many works have reported the interaction of laser radiations with tooth material to optimize laser parameters such as wavelength, energy density, etc. This work has focused on determining the relationship between energy density and ablation thresholds using pulsed, 5 nanosecond, neodymium-doped yttrium aluminum garnet; Nd:Y3Al5O12 (Nd:YAG) laser at 1064 nanometer. For enamel and dentin tissues, the ablations have been performed using laser-induced breakdown spectroscopy (LIBS) technique. The ablation thresholds and relationship between energy densities and peak areas of calcium lines, which appeared in LIBS, were determined using data fitting. Furthermore, the morphological changes were studied using Scanning Electron Microscope (SEM). Moreover, the chemical stability of the tooth material after ablation has been studied using Energy-Dispersive X-Ray Spectroscopy (EDX). The differences between carbon atomic % of non-irradiated and irradiated samples were tested using statistical t-test. Results revealed that the best fitting between energy densities and peak areas of calcium lines were exponential and linear for enamel and dentin, respectively. In addition, the ablation threshold of Nd:YAG lasers in enamel was higher than that of dentin. The morphology of the surrounded ablated region of enamel showed thermal damages. For enamel, the EDX quantitative analysis showed that the atomic % of carbon increased significantly when laser energy density increased.

Fitness and food environments around junior high schools in Taiwan and their association with body composition: Gender differences for recreational, reading, food and beverage exposures

PubMed Central

Chiang, Po-Huang; Huang, Lin-Yuan; Lee, Meei-Shyuan; Tsou, Hui-Chen

2017-01-01

School environments may contribute to adolescent behavior, reproductive physiology and body composition (BC). The Nutritional and Health Survey in Taiwan (2010) for 1458 junior high school students was geo-mapped for 30 school environs. Facilities for physical activity (fitness centers, gymnasia and sports stadiums, activity centers and parks), sedentary activities (reading material rental shops (RMRS), internet cafes) and food and beverage outlets (FBOs) were calculated as weighted numbers within 1000m of schools. Multiple linear regressions were used to predict BC variable z-scores. For boys, higher fitness center densities and, for girls, gymnasia and sports stadiums were associated with less abdominal fatness. For girls, body mass index, waist circumference (WC) and triceps skinfold thickness (TSF) were greater when RMRS density was higher as was TSF with internet café density. Where there were no FBOs, boys’ WC and TSF were less with more parks, but girls were shorter and WC more adverse. With greater RMRS density and no FBOs, girls still had increased WC/Hip ratio, and less mid-arm muscle circumference. Boys’ findings were more evident after considering puberty. Physical activity facilities (differently by gender), food and beverage outlets absence for boys and low reading material rental shop density for girls increase the likelihood of healthier body composition. PMID:28771561

The effect of random matter density perturbations on the large mixing angle solution to the solar neutrino problem

NASA Astrophysics Data System (ADS)

Guzzo, M. M.; Holanda, P. C.; Reggiani, N.

2003-08-01

The neutrino energy spectrum observed in KamLAND is compatible with the predictions based on the Large Mixing Angle realization of the MSW (Mikheyev-Smirnov-Wolfenstein) mechanism, which provides the best solution to the solar neutrino anomaly. From the agreement between solar neutrino data and KamLAND observations, we can obtain the best fit values of the mixing angle and square difference mass. When doing the fitting of the MSW predictions to the solar neutrino data, it is assumed the solar matter do not have any kind of perturbations, that is, it is assumed the the matter density monothonically decays from the center to the surface of the Sun. There are reasons to believe, nevertheless, that the solar matter density fluctuates around the equilibrium profile. In this work, we analysed the effect on the Large Mixing Angle parameters when the density matter randomically fluctuates around the equilibrium profile, solving the evolution equation in this case. We find that, in the presence of these density perturbations, the best fit values of the mixing angle and the square difference mass assume smaller values, compared with the values obtained for the standard Large Mixing Angle Solution without noise. Considering this effect of the random perturbations, the lowest island of allowed region for KamLAND spectral data in the parameter space must be considered and we call it very-low region.

Improvements in fitness are not obligatory for exercise training-induced improvements in CV risk factors.

PubMed

Hartman, Yvonne A W; Hopman, Maria T E; Schreuder, Tim H; Verheggen, Rebecca J H M; Scholten, Ralph R; Oudegeest-Sander, Madelijn H; Poelkens, Fleur; Maiorana, Andrew J; Naylor, Louise H; Willems, Peter H; Tack, Cees J; Thijssen, Dick H J; Green, Daniel J

2018-02-01

The purpose of this study was to assess whether changes in physical fitness relate to changes in cardiovascular risk factors following standardized, center-based and supervised exercise training programs in subjects with increased cardiovascular risk. We pooled data from exercise training studies of subjects with increased cardiovascular risk (n = 166) who underwent 8-52 weeks endurance training. We determined fitness (i.e., peak oxygen uptake) and traditional cardiovascular risk factors (body mass index, blood pressure, total cholesterol, high-density lipoprotein cholesterol), before and after training. We divided subjects into quartiles based on improvement in fitness, and examined whether these groups differed in terms of risk factors. Associations between changes in fitness and in cardiovascular risk factors were further tested using Pearson correlations. Significant heterogeneity was apparent in the improvement of fitness and individual risk factors, with nonresponder rates of 17% for fitness, 44% for body mass index, 33% for mean arterial pressure, 49% for total cholesterol, and 49% for high-density lipoprotein cholesterol. Neither the number, nor the magnitude, of change in cardiovascular risk factors differed significantly between quartiles of fitness change. Changes in fitness were not correlated with changes in cardiovascular risk factors (all P > 0.05). Our data suggest that significant heterogeneity exists in changes in peak oxygen uptake after training, while improvement in fitness did not relate to improvement in cardiovascular risk factors. In subjects with increased cardiovascular risk, improvements in fitness are not obligatory for training-induced improvements in cardiovascular risk factors. © 2018 The Authors. Physiological Reports published by Wiley Periodicals, Inc. on behalf of The Physiological Society and the American Physiological Society.

46 CFR 45.129 - Hull fittings: General.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 2 2010-10-01 2010-10-01 false Hull fittings: General. 45.129 Section 45.129 Shipping... Assignment § 45.129 Hull fittings: General. Hull fittings must be securely mounted in the hull so as to avoid increases in hull stresses and must be protected from local damage caused by movement of equipment or cargo. ...

Mouse fat storage-inducing transmembrane protein 2 (FIT2) promotes lipid droplet accumulation in plants

USDA-ARS?s Scientific Manuscript database

Fat Storage-Inducing Transmembrane protein 2 (FIT2) is an endoplasmic reticulum (ER)-localized protein that plays an important role in lipid droplet (LD) formation in animal cells. However, no obvious homologue of FIT2 is found in plants. Here, we tested the function of FIT2 in plant cells by ectopi...

Structural properties of aqueous metoprolol succinate solutions. Density, viscosity, and refractive index at 311 K

NASA Astrophysics Data System (ADS)

Deosarkar, S. D.; Kalyankar, T. M.

2013-06-01

Density, viscosity and refractive index of aqueous solutions of metoprolol succinate of different concentrations (0.005-0.05 mol dm-3) were measured at 38°C. Apparent molar volume of resultant solutions were calculated and fitted to the Masson's equation and apparent molar volume at infinite dilution was determined graphically. Viscosity data of solutions has been fitted to the Jone-Dole equation and viscosity A- and B-coefficients were determined graphically. Physicochemical data obtained were discussed in terms of molecular interactions.

Biomedical Results of ISS Expeditions 1-12

NASA Technical Reports Server (NTRS)

Fogarty, Jennifer; Sams, Clarence F.

2007-01-01

A viewgraph presentation on biomedical data from International Space Station (ISS) Expeditions 1-12 is shown. The topics include: 1) ISS Expeditions 1-12; 2) Biomedical Data; 3) Physiological Assessments; 4) Bone Mineral Density; 5) Bone Mineral Density Recovery; 6) Orthostatic Tolerance; 7) Postural Stability Set of Sensory Organ Test 6; 8) Performance Assessment; 9) Aerobic Capacity of the Astronaut Corps; 10) Pre-flight Aerobic Fitness of ISS Astronauts; 11) In-flight and Post-flight Aerobic Capacity of the Astronaut Corps; and 12) ISS Functional Fitness Expeditions 1-12.

VizieR Online Data Catalog: ATLAS3D Project. XXX (McDermid+, 2015)

NASA Astrophysics Data System (ADS)

McDermid, R. M.; Alatalo, K.; Blitz, L.; Bournaud, F.; Bureau, M.; Cappellari, M.; Crocker, A. F.; Davies, R. L.; Davis, T. A.; De Zeeuw, P. T.; Duc, P.-A.; Emsellem, E.; Khochfar, S.; Krajnovic, D.; Kuntschner, H.; Morganti, R.; Naab, T.; Oosterloo, T.; Sarzi, M.; Scott, N.; Serra, P.; Weijmans, A.-M.; Young, L. M.

2015-09-01

We present the stellar population content of early-type galaxies from the ATLAS3D survey. Using spectra integrated within apertures covering up to one effective radius, we apply two methods: one based on measuring line-strength indices and applying single stellar population (SSP) models to derive SSP-equivalent values of stellar age, metallicity, and alpha enhancement; and one based on spectral fitting to derive non-parametric star formation histories, mass-weighted average values of age, metallicity, and half-mass formation time-scales. Using homogeneously derived effective radii and dynamically determined galaxy masses, we present the distribution of stellar population parameters on the Mass Plane (MJAM, σe, Rmaje), showing that at fixed mass, compact early-type galaxies are on average older, more metal-rich, and more alpha-enhanced than their larger counterparts. From non-parametric star formation histories, we find that the duration of star formation is systematically more extended in lower mass objects. Assuming that our sample represents most of the stellar content of today's local Universe, approximately 50 percent of all stars formed within the first 2Gyr following the big bang. Most of these stars reside today in the most massive galaxies (>1010.5M⊙), which themselves formed 90 percent of their stars by z~2. The lower mass objects, in contrast, have formed barely half their stars in this time interval. Stellar population properties are independent of environment over two orders of magnitude in local density, varying only with galaxy mass. In the highest density regions of our volume (dominated by the Virgo cluster), galaxies are older, alpha-enhanced, and have shorter star formation histories with respect to lower density regions. (4 data files).

The ATLAS3D Project - XXX. Star formation histories and stellar population scaling relations of early-type galaxies

NASA Astrophysics Data System (ADS)

McDermid, Richard M.; Alatalo, Katherine; Blitz, Leo; Bournaud, Frédéric; Bureau, Martin; Cappellari, Michele; Crocker, Alison F.; Davies, Roger L.; Davis, Timothy A.; de Zeeuw, P. T.; Duc, Pierre-Alain; Emsellem, Eric; Khochfar, Sadegh; Krajnović, Davor; Kuntschner, Harald; Morganti, Raffaella; Naab, Thorsten; Oosterloo, Tom; Sarzi, Marc; Scott, Nicholas; Serra, Paolo; Weijmans, Anne-Marie; Young, Lisa M.

2015-04-01

We present the stellar population content of early-type galaxies from the ATLAS3D survey. Using spectra integrated within apertures covering up to one effective radius, we apply two methods: one based on measuring line-strength indices and applying single stellar population (SSP) models to derive SSP-equivalent values of stellar age, metallicity, and alpha enhancement; and one based on spectral fitting to derive non-parametric star formation histories, mass-weighted average values of age, metallicity, and half-mass formation time-scales. Using homogeneously derived effective radii and dynamically determined galaxy masses, we present the distribution of stellar population parameters on the Mass Plane (MJAM, σe, R^maj_e), showing that at fixed mass, compact early-type galaxies are on average older, more metal-rich, and more alpha-enhanced than their larger counterparts. From non-parametric star formation histories, we find that the duration of star formation is systematically more extended in lower mass objects. Assuming that our sample represents most of the stellar content of today's local Universe, approximately 50 per cent of all stars formed within the first 2 Gyr following the big bang. Most of these stars reside today in the most massive galaxies (>1010.5 M⊙), which themselves formed 90 per cent of their stars by z ˜ 2. The lower mass objects, in contrast, have formed barely half their stars in this time interval. Stellar population properties are independent of environment over two orders of magnitude in local density, varying only with galaxy mass. In the highest density regions of our volume (dominated by the Virgo cluster), galaxies are older, alpha-enhanced, and have shorter star formation histories with respect to lower density regions.

Intraspecific Variation in Physiological Condition of Reef-Building Corals Associated with Differential Levels of Chronic Disturbance

PubMed Central

Pisapia, Chiara; Anderson, Kristen; Pratchett, Morgan S.

2014-01-01

Even in the absence of major disturbances (e.g., cyclones, bleaching), corals are subject to high levels of partial or whole-colony mortality, often caused by chronic and small-scale disturbances. Depending on levels of background mortality, these chronic disturbances may undermine individual fitness and have significant consequences on the ability of colonies to withstand subsequent acute disturbances or environmental change. This study quantified intraspecific variations in physiological condition (measured based on total lipid content and zooxanthellae density) through time in adult colonies of two common and widespread coral species (Acropora spathulata and Pocillopora damicornis), subject to different levels of biological and physical disturbances along the most disturbed reef habitat, the crest. Marked intraspecific variation in the physiological condition of A. spathulata was clearly linked to differences in local disturbance regimes and habitat. Specifically, zooxanthellae density decreased (r2 = 26, df = 5,42, p<0.02, B =  −121255, p = 0.03) and total lipid content increased (r2 = 14, df = 5,42, p = 0.01, B = 0.9, p = 0.01) with increasing distance from exposed crests. Moreover, zooxanthellae density was strongly and negatively correlated with the individual level of partial mortality (r2 = 26, df = 5,42, p<0.02, B =  −7386077, p = 0.01). Conversely, P. damicornis exhibited very limited intraspecific variation in physiological condition, despite marked differences in levels of partial mortality. This is the first study to relate intraspecific variation in the condition of corals to localized differences in chronic disturbance regimes. The next step is to ascertain whether these differences have further ramifications for susceptibility to periodic acute disturbances, such as climate-induced coral bleaching. PMID:24626395

Intraspecific variation in physiological condition of reef-building corals associated with differential levels of chronic disturbance.

PubMed

Pisapia, Chiara; Anderson, Kristen; Pratchett, Morgan S

2014-01-01

Even in the absence of major disturbances (e.g., cyclones, bleaching), corals are subject to high levels of partial or whole-colony mortality, often caused by chronic and small-scale disturbances. Depending on levels of background mortality, these chronic disturbances may undermine individual fitness and have significant consequences on the ability of colonies to withstand subsequent acute disturbances or environmental change. This study quantified intraspecific variations in physiological condition (measured based on total lipid content and zooxanthellae density) through time in adult colonies of two common and widespread coral species (Acropora spathulata and Pocillopora damicornis), subject to different levels of biological and physical disturbances along the most disturbed reef habitat, the crest. Marked intraspecific variation in the physiological condition of A. spathulata was clearly linked to differences in local disturbance regimes and habitat. Specifically, zooxanthellae density decreased (r2 = 26, df = 5,42, p<0.02, B =  -121255, p = 0.03) and total lipid content increased (r2 = 14, df = 5,42, p = 0.01, B = 0.9, p = 0.01) with increasing distance from exposed crests. Moreover, zooxanthellae density was strongly and negatively correlated with the individual level of partial mortality (r2 = 26, df = 5,42, p<0.02, B =  -7386077, p = 0.01). Conversely, P. damicornis exhibited very limited intraspecific variation in physiological condition, despite marked differences in levels of partial mortality. This is the first study to relate intraspecific variation in the condition of corals to localized differences in chronic disturbance regimes. The next step is to ascertain whether these differences have further ramifications for susceptibility to periodic acute disturbances, such as climate-induced coral bleaching.

INTERSTELLAR SONIC AND ALFVENIC MACH NUMBERS AND THE TSALLIS DISTRIBUTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tofflemire, Benjamin M.; Burkhart, Blakesley; Lazarian, A.

2011-07-20

In an effort to characterize the Mach numbers of interstellar medium (ISM) magnetohydrodynamic (MHD) turbulence, we study the probability distribution functions (PDFs) of spatial increments of density, velocity, and magnetic field for 14 ideal isothermal MHD simulations at a resolution of 512{sup 3}. In particular, we fit the PDFs using the Tsallis function and study the dependency of the fit parameters on the compressibility and magnetization of the gas. We find that the Tsallis function fits PDFs of MHD turbulence well, with fit parameters showing sensitivities to the sonic and Alfven Mach numbers. For three-dimensional density, column density, and Position-Position-Velocitymore » data, we find that the amplitude and width of the PDFs show a dependency on the sonic Mach number. We also find that the width of the PDF is sensitive to the global Alfvenic Mach number especially in cases where the sonic number is high. These dependencies are also found for mock observational cases, where cloud-like boundary conditions, smoothing, and noise are introduced. The ability of Tsallis statistics to characterize the sonic and Alfvenic Mach numbers of simulated ISM turbulence points to it being a useful tool in the analysis of the observed ISM, especially when used simultaneously with other statistical techniques.« less

Spatio-Temporal Variation in Predation by Urban Domestic Cats (Felis catus) and the Acceptability of Possible Management Actions in the UK

PubMed Central

Thomas, Rebecca L.; Fellowes, Mark D. E.; Baker, Philip J.

2012-01-01

Urban domestic cat (Felis catus) populations can attain exceedingly high densities and are not limited by natural prey availability. This has generated concerns that they may negatively affect prey populations, leading to calls for management. We enlisted cat-owners to record prey returned home to estimate patterns of predation by free-roaming pets in different localities within the town of Reading, UK and questionnaire surveys were used to quantify attitudes to different possible management strategies. Prey return rates were highly variable: only 20% of cats returned ≥4 dead prey annually. Consequently, approximately 65% of owners received no prey in a given season, but this declined to 22% after eight seasons. The estimated mean predation rate was 18.3 prey cat−1 year−1 but this varied markedly both spatially and temporally: per capita predation rates declined with increasing cat density. Comparisons with estimates of the density of six common bird prey species indicated that cats killed numbers equivalent to adult density on c. 39% of occasions. Population modeling studies suggest that such predation rates could significantly reduce the size of local bird populations for common urban species. Conversely, most urban residents did not consider cat predation to be a significant problem. Collar-mounted anti-predation devices were the only management action acceptable to the majority of urban residents (65%), but were less acceptable to cat-owners because of perceived risks to their pets; only 24% of cats were fitted with such devices. Overall, cat predation did appear to be of sufficient magnitude to affect some prey populations, although further investigation of some key aspects of cat predation is warranted. Management of the predation behavior of urban cat populations in the UK is likely to be challenging and achieving this would require considerable engagement with cat owners. PMID:23173057

Assessing Local Model Adequacy in Bayesian Hierarchical Models Using the Partitioned Deviance Information Criterion

PubMed Central

Wheeler, David C.; Hickson, DeMarc A.; Waller, Lance A.

2010-01-01

Many diagnostic tools and goodness-of-fit measures, such as the Akaike information criterion (AIC) and the Bayesian deviance information criterion (DIC), are available to evaluate the overall adequacy of linear regression models. In addition, visually assessing adequacy in models has become an essential part of any regression analysis. In this paper, we focus on a spatial consideration of the local DIC measure for model selection and goodness-of-fit evaluation. We use a partitioning of the DIC into the local DIC, leverage, and deviance residuals to assess local model fit and influence for both individual observations and groups of observations in a Bayesian framework. We use visualization of the local DIC and differences in local DIC between models to assist in model selection and to visualize the global and local impacts of adding covariates or model parameters. We demonstrate the utility of the local DIC in assessing model adequacy using HIV prevalence data from pregnant women in the Butare province of Rwanda during 1989-1993 using a range of linear model specifications, from global effects only to spatially varying coefficient models, and a set of covariates related to sexual behavior. Results of applying the diagnostic visualization approach include more refined model selection and greater understanding of the models as applied to the data. PMID:21243121

Evolution of the Blue and Far-Infrared Galaxy Luminosity Functions

NASA Technical Reports Server (NTRS)

Lonsdale, Carol J.; Chokshi, Arati

1993-01-01

The space density of blue-selected galaxies at moderate redshifts is determined here directly by deriving the luminosity function. Evidence is found for density evolution for moderate luminosity galaxies at a rate of (1+z) exp delta, with a best fit of delta + 4 +/- 2, between the current epoch and Z greater than about 0.1. At M(b) less than -22 evidence is found for about 0.5-1.5 mag of luminosity evolution in addition to the density evolution, corresponding to an evolutionary rate of about (1+z) exp gamma, with gamma = 0.5-2.5, but a redshift of about 0.4. Assuming a steeper faint end slope of alpha = -1.3 similar to that observed in the Virgo cluster, could explain the data with a luminosity evolution rate of gamma = 1-2, without need for any density evolution. Acceptable fits are found by comparing composite density and luminosity evolution models to faint IRAS 60 micron source counts, implying that the blue and far-IR evolutionary rates may be similar.

The atmospheric emission method of calculating the neutral atmosphere and charged particle densities in the upper atmosphere

NASA Astrophysics Data System (ADS)

McElroy, Kenneth L., Jr.

1992-12-01

A method is presented for the determination of neutral gas densities in the ionosphere from rocket-borne measurements of UV atmospheric emissions. Computer models were used to calculate an initial guess for the neutral atmosphere. Using this neutral atmosphere, intensity profiles for the N2 (0,5) Vegard-Kaplan band, the N2 Lyman-Birge-Hopfield band system, and the OI2972 A line were calculated and compared with the March 1990 NPS MUSTANG data. The neutral atmospheric model was modified and the intensity profiles recalculated until a fit with the data was obtained. The neutral atmosphere corresponding to the intensity profile that fit the data was assumed to be the atmospheric composition prevailing at the time of the observation. The ion densities were then calculated from the neutral atmosphere using a photochemical model. The electron density profile calculated by this model was compared with the electron density profile measured by the U.S. Air Force Geophysics Laboratory at a nearby site.

Novel applications of the dispersive optical model

NASA Astrophysics Data System (ADS)

Dickhoff, W. H.; Charity, R. J.; Mahzoon, M. H.

2017-03-01

A review of recent developments of the dispersive optical model (DOM) is presented. Starting from the original work of Mahaux and Sartor, several necessary steps are developed and illustrated which increase the scope of the DOM allowing its interpretation as generating an experimentally constrained functional form of the nucleon self-energy. The method could therefore be renamed as the dispersive self-energy method. The aforementioned steps include the introduction of simultaneous fits of data for chains of isotopes or isotones allowing a data-driven extrapolation for the prediction of scattering cross sections and level properties in the direction of the respective drip lines. In addition, the energy domain for data was enlarged to include results up to 200 MeV where available. An important application of this work was implemented by employing these DOM potentials to the analysis of the (d, p) transfer reaction using the adiabatic distorted wave approximation. We review these calculations which suggest that physically meaningful results are easier to obtain by employing DOM ingredients as compared to the traditional approach which relies on a phenomenologically-adjusted bound-state wave function combined with a global (nondispersive) optical-model potential. Application to the exotic 132Sn nucleus also shows great promise for the extrapolation of DOM potentials towards the drip line with attendant relevance for the physics of FRIB. We note that the DOM method combines structure and reaction information on the same footing providing a unique approach to the analysis of exotic nuclei. We illustrate the importance of abandoning the custom of representing the non-local Hartree-Fock (HF) potential in the DOM by an energy-dependent local potential as it impedes the proper normalization of the solution of the Dyson equation. This important step allows for the interpretation of the DOM potential as representing the nucleon self-energy permitting the calculations of spectral amplitudes and spectral functions above and below the Fermi energy. The latter feature provides access to quantities like the momentum distribution, charge density, and particle number which were not available in the original work of Mahaux and Sartor. When employing a non-local HF potential, but local dispersive contributions (as originally proposed by Mahaux and Sartor), we illustrate that it is impossible to reproduce the particle number and the measured charge density. Indeed, the use of local absorptive potentials leads to a substantial overestimate of particle number. However from detailed comparisons with self-energies calculated with ab initio many-body methods that include both short- and long-range correlations, we demonstrate that it is essential to introduce non-local absorptive potentials in order to remediate these deficiencies. We review the fully non-local DOM potential fitted to 40Ca where elastic-scattering data, level information, particle number, charge density and high-momentum-removal (e,e\\prime p) cross sections obtained at Jefferson Lab were included in the analysis. All these quantities are accurately described by assuming more or less traditional functional forms for the potentials but allowing for non-locality and the abandonment of complete symmetry around the Fermi energy for surface absorption which is suggested by ab initio theory. An important consequence of this new analysis is the finding that the spectroscopic factor for the removal of valence protons in this nucleus comes out larger by about 0.15 than the results obtained from the NIKHEF analysis of their (e,e\\prime p) data. This issue is discussed in detail and its implications clarified. Another important consequence of this analysis is that it can shed light on the relative importance of two-body and three-body interactions as far as their contribution to the energy of the ground state is concerned through application of the energy sum rule.

Characterization of pulsed metallic hydride vacuum arc discharge plasmas by optical emission spectroscopy

NASA Astrophysics Data System (ADS)

Tang, Jian; Deng, Chunfeng; Wu, Chunlei; Lu, Biao; Hu, Yonghong

2017-12-01

The characteristics of plasmas in a titanium hydride vacuum arc ion source were experimentally investigated by a temporally- and spatially-integrated optical emission spectroscopy method. A plasma emission spectral fitting model was developed to calculate the plasmas temperature and relative density of each particle component, assuming plasmas were in local thermodynamic equilibrium state and optical thin in this study. The good agreement was founded between the predicted and measured spectra in the interesting regions of 330-340 nm and 498-503 nm for Ti+ ion and Ti atom respectively, while varying the plasma temperature and density. Compared with conventional Boltzmann plot method, this method, therefore, made a significant improvement on the plasma diagnosis in dealing with the spectral profile with many lines overlapped. At the same time, to understand the mechanism of the occluded-gas vacuum arc discharge plasmas, the plasmas emission spectra, ion relative density, and temperature with different discharge conditions were studied. The results indicated that the rate of Ti metal evaporation and H desorption from the electrode would be enhanced with arc current, and the ionization temperature increased with the feed-in power of arc discharge, leading more H+ and Ti+ ions, but reducing the H+ proportion in arc discharged plasmas.

Retrieving acoustic energy densities and local pressure amplitudes in microfluidics by holographic time-lapse imaging.

PubMed

Cacace, Teresa; Bianco, Vittorio; Paturzo, Melania; Memmolo, Pasquale; Vassalli, Massimo; Fraldi, Massimiliano; Mensitieri, Giuseppe; Ferraro, Pietro

2018-06-26

The development of techniques able to characterize and map the pressure field is crucial for the widespread use of acoustofluidic devices in biotechnology and lab-on-a-chip platforms. In fact, acoustofluidic devices are powerful tools for driving precise manipulation of microparticles and cells in microfluidics in non-contact modality. Here, we report a full and accurate characterization of the movement of particles subjected to acoustophoresis in a microfluidic environment by holographic imaging. The particle displacement along the direction of the ultrasound wave propagation, coinciding with the optical axis, is observed and investigated. Two resonance frequencies are explored, varying for each the amplitude of the applied signal. The trajectories of individual tracers, accomplished by holographic measurements, are fitted with the theoretical model thus allowing the retrieval of the acoustic energy densities and pressure amplitudes through full holographic analysis. The absence of prior calibration, being independent of the object shape and the possibility of implementing automatic analysis make the use of holography very appealing for applications in devices for biotechnologies.

A simple but fully nonlocal correction to the random phase approximation

NASA Astrophysics Data System (ADS)

Ruzsinszky, Adrienn; Perdew, John P.; Csonka, Gábor I.

2011-03-01

The random phase approximation (RPA) stands on the top rung of the ladder of ground-state density functional approximations. The simple or direct RPA has been found to predict accurately many isoelectronic energy differences. A nonempirical local or semilocal correction to this direct RPA leaves isoelectronic energy differences almost unchanged, while improving total energies, ionization energies, etc., but fails to correct the RPA underestimation of molecular atomization energies. Direct RPA and its semilocal correction may miss part of the middle-range multicenter nonlocality of the correlation energy in a molecule. Here we propose a fully nonlocal, hybrid-functional-like addition to the semilocal correction. The added full nonlocality is important in molecules, but not in atoms. Under uniform-density scaling, this fully nonlocal correction scales like the second-order-exchange contribution to the correlation energy, an important part of the correction to direct RPA, and like the semilocal correction itself. For the atomization energies of ten molecules, and with the help of one fit parameter, it performs much better than the elaborate second-order screened exchange correction.

Localized overlap algorithm for unexpanded dispersion energies

NASA Astrophysics Data System (ADS)

Rob, Fazle; Misquitta, Alston J.; Podeszwa, Rafał; Szalewicz, Krzysztof

2014-03-01

First-principles-based, linearly scaling algorithm has been developed for calculations of dispersion energies from frequency-dependent density susceptibility (FDDS) functions with account of charge-overlap effects. The transition densities in FDDSs are fitted by a set of auxiliary atom-centered functions. The terms in the dispersion energy expression involving products of such functions are computed using either the unexpanded (exact) formula or from inexpensive asymptotic expansions, depending on the location of these functions relative to the dimer configuration. This approach leads to significant savings of computational resources. In particular, for a dimer consisting of two elongated monomers with 81 atoms each in a head-to-head configuration, the most favorable case for our algorithm, a 43-fold speedup has been achieved while the approximate dispersion energy differs by less than 1% from that computed using the standard unexpanded approach. In contrast, the dispersion energy computed from the distributed asymptotic expansion differs by dozens of percent in the van der Waals minimum region. A further increase of the size of each monomer would result in only small increased costs since all the additional terms would be computed from the asymptotic expansion.

The Research of EAST Pedestal Structure and Preliminary Application

NASA Astrophysics Data System (ADS)

Wang, Tengfei; Zang, Qing; Han, Xiaofeng; Xiao, Shumei; Hu, Ailan; Zhao, Junyu

2016-10-01

The pedestal characteristic is an important basis for high confinement mode (H-mode) research. Because of the finite spatial resolution of Thomson scattering (TS) diagnostic on Experimental Advanced Superconducting Tokamak (EAST), it is necessary to characterize the pedestal with a suitable functional form. Based on simulated and experimental data of EAST, it is shown that the two-line method with a bilinear fitting has better reproducibility of pedestal parameters than hyperbolic tangent (tanh) and modified hyperbolic tangent (mtanh) methods. This method has been applied to EAST type I edge localized mode (ELM) discharges, and the electron pedestal density is found to be proportional to the line-averaged density and the edge pressure gradient is found to be proportional to the pedestal pressure. Furthermore, the ion poloidal gyro-radius has been identified as the suitable parameter to describe the pedestal pressure width. supported by National Natural Science Foundation of China (Nos. 11275233 and 11405206), and the National Magnetic Confinement Fusion Science Program of China (No. 2013GB112003), and Science Foundation of Institute of Plasma Physics, Chinese Academy of Sciences (No. DSJJ-15-JC01)

Verification of Anderson Superexchange in MnO via Magnetic Pair Distribution Function Analysis and ab initio Theory.

PubMed

Frandsen, Benjamin A; Brunelli, Michela; Page, Katharine; Uemura, Yasutomo J; Staunton, Julie B; Billinge, Simon J L

2016-05-13

We present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ∼1  nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominated by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. The Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.

Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine

Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

Verification of Anderson superexchange in MnO via magnetic pair distribution function analysis and ab initio theory

DOE PAGES

Benjamin A. Frandsen; Brunelli, Michela; Page, Katharine; ...

2016-05-11

Here, we present a temperature-dependent atomic and magnetic pair distribution function (PDF) analysis of neutron total scattering measurements of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. The known antiferromagnetic ground-state structure fits the low-temperature data closely with refined parameters that agree with conventional techniques, confirming the reliability of the newly developed magnetic PDF method. The measurements performed in the paramagnetic phase reveal significant short-range magnetic correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range spin arrangement. Ab initio calculations using a self-interaction-corrected local spin density approximation of density functional theory predict magnetic interactions dominatedmore » by Anderson superexchange and reproduce the measured short-range magnetic correlations to a high degree of accuracy. Further calculations simulating an additional contribution from a direct exchange interaction show much worse agreement with the data. Furthermore, the Anderson superexchange model for MnO is thus verified by experimentation and confirmed by ab initio theory.« less

[Relationships of bee population fluctuation and distribution with natural environment in Anhui province].

PubMed

Yu, Linsheng; Zou, Yunding; Bi, Shoudong; Wu, Houzhang; Cao, Yifeng

2006-08-01

In 2002 to approximately 2004, an investigation was made on the bee population dynamics and its relationships with the ecological environment in four ecological regions of Anhui Province. The results indicated that in the mountainous areas of south and west Anhui, there were 46 and 37 species of nectariferous plants, and the distribution density of Apis cerena cerena population was 2.01 and 1.95 colony x km(-2), respectively. In Jianghuai area and Huaibei plain, there were 17 and 12 species of nectariferous plants, which had concentrated and short flowering period and fitted for Apis mellifera Ligustica oysterring and producing, and the distribution density of Apis cerena cerena population was 0. 06 and 0. 02 colony x km(-2), respectively. Bee population fluctuation and distribution was affected by wasp predation. The breeding proportion of Apis cerena cerena to local apis population was 41.5%, 36.8%, 3.1% and 1.1%, and that of Apis mellifera Ligustica was 58.5%, 63.2%, 96.9% and 98.9% in the mountainous areas of south and west Anhui, Jianghuai area, and Huaibei plain, respectively.

A density distribution algorithm for bone incorporating local orthotropy, modal analysis and theories of cellular solids.

PubMed

Impelluso, Thomas J

2003-06-01

An algorithm for bone remodeling is presented which allows for both a redistribution of density and a continuous change of principal material directions for the orthotropic material properties of bone. It employs a modal analysis to add density for growth and a local effective strain based analysis to redistribute density. General re-distribution functions are presented. The model utilizes theories of cellular solids to relate density and strength. The code predicts the same general density distributions and local orthotropy as observed in reality.

The Hubble diagram for a system within dark energy: influence of some relevant quantities

NASA Astrophysics Data System (ADS)

Saarinen, J.; Teerikorpi, P.

2014-08-01

Aims: We study the influence of relevant quantities, including the density of dark energy (DE), to the predicted Hubble outflow around a system of galaxies. In particular, we are interested in the difference between two models: 1) the standard ΛCDM model, with the everywhere constant DE density, and 2) the "Swiss cheese model", where the Universe is as old as the standard model and the DE density is zero on short scales, including the environment of the system. Methods: We calculated the current predicted outflow patterns of dwarf galaxies around the Local Group-like system, using different values for the mass of the group, the local DE density, and the time of ejection of the dwarf galaxies, which are treated as test particles. These results are compared with the observed Hubble flow around the Local Group. Results: The predicted distance-velocity relations around galaxy groups are not very sensitive indicators of the DE density, owing to the observational scatter and the uncertainties caused by the mass used for the group and a range in the ejection times. In general, the Local Group outflow data agree with the local DE density being equal to the global one, if the Local Group mass is about 4 × 1012 M⊙; a lower mass ≲ 2 × 1012 M⊙ could suggest a zero local DE density. The dependence of the inferred DE density on the mass is a handicap in this and other common dynamical methods. This emphasizes the need to use different approaches together, for constraining the local DE density.

A thermodynamic approach to link self-organization, preferential flow and rainfall-runoff behaviour

NASA Astrophysics Data System (ADS)

Zehe, E.; Ehret, U.; Blume, T.; Kleidon, A.; Scherer, U.; Westhoff, M.

2013-11-01

This study investigates whether a thermodynamically optimal hillslope structure can, if existent, serve as a first guess for uncalibrated predictions of rainfall-runoff. To this end we propose a thermodynamic framework to link rainfall-runoff processes and dynamics of potential energy, kinetic energy and capillary binding energy in catchments and hillslopes. The starting point is that hydraulic equilibrium in soil corresponds to local thermodynamic equilibrium (LTE), characterized by a local maximum entropy/minimum of free energy of soil water. Deviations from LTE occur either due to evaporative losses, which increase absolute values of negative capillary binding energy of soil water and reduce its potential energy, or due to infiltration of rainfall, which increases potential energy of soil water and reduces the strength of capillary binding energy. The amplitude and relaxation time of these deviations depend on climate, vegetation, soil hydraulic functions, topography and density of macropores. Based on this framework we analysed the free energy balance of hillslopes within numerical experiments that perturbed model structures with respect to the surface density of macropores. These model structures have been previously shown to allow successful long-term simulations of the water balances of the Weiherbach and the Malalcahuello catchments, which are located in distinctly different pedological and climatic settings. Our findings offer a new perspective on different functions of preferential flow paths depending on the pedological setting. Free energy dynamics of soil water in the cohesive soils of the Weiherbach is dominated by dynamics of capillary binding energy. Macropores act as dissipative wetting structures by enlarging water flows against steep gradients in soil water potential after long dry spells. This implies accelerated depletion of these gradients and faster relaxation back towards LTE. We found two local optima in macropore density that maximize reduction rates of free energy of soil water during rainfall-driven conditions. These two optima exist because reduction rates of free energy are, in this case, a second-order polynomial of the wetting rate, which implicitly depends on macroporosity. An uncalibrated long-term simulation of the water balance of the Weiherbach catchment based on the first optimum macroporosity performed almost as well as the best fit when macroporosity was calibrated to match rainfall-runoff. In the Malalcahuello catchment we did not find an apparent optimum density of macropores, because free energy dynamics of soil water during rainfall-driven conditions is dominated by increases of potential energy. Macropores act as dissipative drainage structures by enhancing export of potential energy. No optimum macropore density exists in this case because potential energy change rates scale linearly with the wetting rate. We found, however, a distinguished macroporosity that assures steady-state conditions of the potential energy balance of the soil, in the sense that average storage of potential energy is compensated by average potential energy export. This distinguished macroporosity was close to the value that yielded the best fit of rainfall-runoff behaviour during a calibration exercise and allowed a robust estimate of the annual runoff coefficient. Our findings are promising for predictions in ungauged catchments (PUB) as the optimal/distinguished model structures can serve as a first guess for uncalibrated predictions of rainfall-runoff. They also offer an alternative for classifying catchments according to their similarity of the free energy balance components.

Estimation of Reineke and Volume-Based Maximum Size-Density Lines For Shortleaf Pine

Treesearch

Thomas B. Lynch; Robert F. Wittwer; Douglas J. Stevenson

2004-01-01

Maximum size-density relationships for Reineke's stand density index as well as for a relationship based on average tree volume were fitted to data from more than a decade of annual remeasurements of plots in unthinned naturally occurring shor tleaf pine in southeaster n Oklahoma. Reineke's stand density index is based on a maximum line of the form log(N) = a...

Simultaneous estimation of plasma parameters from spectroscopic data of neutral helium using least square fitting of CR-model

NASA Astrophysics Data System (ADS)

Jain, Jalaj; Prakash, Ram; Vyas, Gheesa Lal; Pal, Udit Narayan; Chowdhuri, Malay Bikas; Manchanda, Ranjana; Halder, Nilanjan; Choyal, Yaduvendra

2015-12-01

In the present work an effort has been made to estimate the plasma parameters simultaneously like—electron density, electron temperature, ground state atom density, ground state ion density and metastable state density from the observed visible spectra of penning plasma discharge (PPD) source using least square fitting. The analysis is performed for the prominently observed neutral helium lines. The atomic data and analysis structure (ADAS) database is used to provide the required collisional-radiative (CR) photon emissivity coefficients (PECs) values under the optical thin plasma condition in the analysis. With this condition the estimated plasma temperature from the PPD is found rather high. It is seen that the inclusion of opacity in the observed spectral lines through PECs and addition of diffusion of neutrals and metastable state species in the CR-model code analysis improves the electron temperature estimation in the simultaneous measurement.

An efficient linear-scaling CCSD(T) method based on local natural orbitals.

PubMed

Rolik, Zoltán; Szegedy, Lóránt; Ladjánszki, István; Ladóczki, Bence; Kállay, Mihály

2013-09-07

An improved version of our general-order local coupled-cluster (CC) approach [Z. Rolik and M. Kállay, J. Chem. Phys. 135, 104111 (2011)] and its efficient implementation at the CC singles and doubles with perturbative triples [CCSD(T)] level is presented. The method combines the cluster-in-molecule approach of Li and co-workers [J. Chem. Phys. 131, 114109 (2009)] with frozen natural orbital (NO) techniques. To break down the unfavorable fifth-power scaling of our original approach a two-level domain construction algorithm has been developed. First, an extended domain of localized molecular orbitals (LMOs) is assembled based on the spatial distance of the orbitals. The necessary integrals are evaluated and transformed in these domains invoking the density fitting approximation. In the second step, for each occupied LMO of the extended domain a local subspace of occupied and virtual orbitals is constructed including approximate second-order Mo̸ller-Plesset NOs. The CC equations are solved and the perturbative corrections are calculated in the local subspace for each occupied LMO using a highly-efficient CCSD(T) code, which was optimized for the typical sizes of the local subspaces. The total correlation energy is evaluated as the sum of the individual contributions. The computation time of our approach scales linearly with the system size, while its memory and disk space requirements are independent thereof. Test calculations demonstrate that currently our method is one of the most efficient local CCSD(T) approaches and can be routinely applied to molecules of up to 100 atoms with reasonable basis sets.

The Geminga pulsar wind nebula in the mid-infrared and submillimetre

NASA Astrophysics Data System (ADS)

Greaves, J. S.; Holland, W. S.

2017-10-01

The nearby middle-aged Geminga pulsar has crossed the Galactic plane within the last ∼0.1 Myr. We present archival data from Wide-field Infrared Survey Explorer and from SCUBA and SCUBA-2 on the James Clerk Maxwell Telescope to assess whether any mid-infrared and submillimetre emission arises from interaction of the pulsar wind nebula with the interstellar medium. A candidate shell and bow shock are reported. Given the low pulsar velocity and local density, dust grains appear able to penetrate into the nebula. A compact source seen towards the pulsar is fitted with a dust spectrum. If confirmed as a real association at higher resolution, this could be a circum-pulsar disc of at least a few Earth-masses, in which future planets could form.

Analysis of the M-shell spectra emitted by a short-pulse laser-created tantalum plasma

PubMed

Busquet; Jiang; Coinsertion Markte CY; Kieffer; Klapisch; Bar-Shalom; Bauche-Arnoult; Bachelier

2000-01-01

The spectrum of tantalum emitted by a subpicosecond laser-created plasma, was recorded in the regions of the 3d-5f, 3d-4f, and 3d-4p transitions. The main difference with a nanosecond laser-created plasma spectrum is a broad understructure appearing under the 3d-5f transitions. An interpretation of this feature as a density effect is proposed. The supertransition array model is used for interpreting the spectrum, assuming local thermodynamic equilibrium (LTE) at some effective temperature. An interpretation of the 3d-4f spectrum using the more detailed unresolved transition array formalism, which does not assume LTE, is also proposed. Fitted contributions of the different ionic species differ slightly from the LTE-predicted values.

A non-orthogonal decomposition of flows into discrete events

NASA Astrophysics Data System (ADS)

Boxx, Isaac; Lewalle, Jacques

1998-11-01

This work is based on the formula for the inverse Hermitian wavelet transform. A signal can be interpreted as a (non-unique) superposition of near-singular, partially overlapping events arising from Dirac functions and/or its derivatives combined with diffusion.( No dynamics implied: dimensionless diffusion is related to the definition of the analyzing wavelets.) These events correspond to local maxima of spectral energy density. We successfully fitted model events of various orders on a succession of fields, ranging from elementary signals to one-dimensional hot-wire traces. We document edge effects, event overlap and its implications on the algorithm. The interpretation of the discrete singularities as flow events (such as coherent structures) and the fundamental non-uniqueness of the decomposition are discussed. The dynamics of these events will be examined in the companion paper.

Quantification of Liver Proton-Density Fat Fraction in an 7.1 Tesla preclinical MR Systems: Impact of the Fitting Technique

PubMed Central

Mahlke, C; Hernando, D; Jahn, C; Cigliano, A; Ittermann, T; Mössler, A; Kromrey, ML; Domaska, G; Reeder, SB; Kühn, JP

2016-01-01

Purpose To investigate the feasibility of estimating the proton-density fat fraction (PDFF) using a 7.1 Tesla magnetic resonance imaging (MRI) system and to compare the accuracy of liver fat quantification using different fitting approaches. Materials and Methods Fourteen leptin-deficient ob/ob mice and eight intact controls were examined in a 7.1 Tesla animal scanner using a 3-dimensional six-echo chemical shift-encoded pulse sequence. Confounder-corrected PDFF was calculated using magnitude (magnitude data alone) and combined fitting (complex and magnitude data). Differences between fitting techniques were compared using Bland-Altman analysis. In addition, PDFFs derived with both reconstructions were correlated with histopathological fat content and triglyceride mass fraction using linear regression analysis. Results The PDFFs determined with use of both reconstructions correlated very strongly (r=0.91). However, small mean bias between reconstructions demonstrated divergent results (3.9%; CI 2.7%-5.1%). For both reconstructions, there was linear correlation with histopathology (combined fitting: r=0.61; magnitude fitting: r=0.64) and triglyceride content (combined fitting: r=0.79; magnitude fitting: r=0.70). Conclusion Liver fat quantification using the PDFF derived from MRI performed at 7.1 Tesla is feasible. PDFF has strong correlations with histopathologically determined fat and with triglyceride content. However, small differences between PDFF reconstruction techniques may impair the robustness and reliability of the biomarker at 7.1 Tesla. PMID:27197806

Neutron densities from a global analysis of medium-energy proton-nucleus elastic scattering

NASA Astrophysics Data System (ADS)

Clark, B. C.; Kerr, L. J.; Hama, S.

2003-05-01

A new method for extracting neutron densities from intermediate-energy elastic proton-nucleus scattering observables uses a global Dirac phenomenological approach based on the relativistic impulse approximation. Datasets for 40Ca, 48Ca, and 208Pb in the energy range from 500 MeV to 1040 MeV are considered. The global fits are successful in reproducing the data and in predicting datasets not included in the analysis. Using this global approach, energy-independent neutron densities are obtained. The vector point proton density distribution ρpv is determined from the empirical charge density after unfolding the proton form factor. The other densities, ρnv, ρps, ρns, are parametrized. This work provides energy-independent values for the rms neutron radius Rn and the neutron skin thickness Sn, in contrast to the energy-dependent values obtained by previous studies. In addition, the results presented in this paper show that the expected rms neutron radius and the skin thickness for 40Ca are accurately reproduced. The values of Rn and Sn obtained from the global fits that we consider to be the most reliable are given as follows: for 40Ca, 3.314>Rn>3.310 fm and -0.063>Sn >-0.067 fm; for 48Ca, 3.459>Rn>3.413 fm and 0.102>Sn>0.056 fm; and for 208Pb, 5.550>Rn>5.522 fm and 0.111>Sn>0.083 fm. These values are in reasonable agreement with nonrelativistic Skyrme-Hartree-Fock models and with relativistic Hartree-Bogoliubov models with density-dependent meson-nucleon couplings. The results from the global fits for 48Ca and 208Pb are generally not in agreement with the usual relativistic mean-field models.

LABORATORY MEASUREMENTS OF WHITE DWARF PHOTOSPHERIC SPECTRAL LINES: Hβ

DOE Office of Scientific and Technical Information (OSTI.GOV)

Falcon, Ross E.; Gomez, T. A.; Montgomery, M. H.

2015-06-20

We spectroscopically measure multiple hydrogen Balmer line profiles from laboratory plasmas to investigate the theoretical line profiles used in white dwarf (WD) atmosphere models. X-ray radiation produced at the Z Pulsed Power Facility at Sandia National Laboratories initiates plasma formation in a hydrogen-filled gas cell, replicating WD photospheric conditions. Here we present time-resolved measurements of Hβ and fit this line using different theoretical line profiles to diagnose electron density, n{sub e}, and n = 2 level population, n{sub 2}. Aided by synthetic tests, we characterize the validity of our diagnostic method for this experimental platform. During a single experiment, wemore » infer a continuous range of electron densities increasing from n{sub e} ∼ 4 to ∼30 × 10{sup 16} cm{sup −3} throughout a 120-ns evolution of our plasma. Also, we observe n{sub 2} to be initially elevated with respect to local thermodynamic equilibrium (LTE); it then equilibrates within ∼55 ns to become consistent with LTE. This supports our electron-temperature determination of T{sub e} ∼ 1.3 eV (∼15,000 K) after this time. At n{sub e} ≳ 10{sup 17} cm{sup −3}, we find that computer-simulation-based line-profile calculations provide better fits (lower reduced χ{sup 2}) than the line profiles currently used in the WD astronomy community. The inferred conditions, however, are in good quantitative agreement. This work establishes an experimental foundation for the future investigation of relative shapes and strengths between different hydrogen Balmer lines.« less

Vertical Optical Scanning with Panoramic Vision for Tree Trunk Reconstruction

PubMed Central

Berveglieri, Adilson; Liang, Xinlian; Honkavaara, Eija

2017-01-01

This paper presents a practical application of a technique that uses a vertical optical flow with a fisheye camera to generate dense point clouds from a single planimetric station. Accurate data can be extracted to enable the measurement of tree trunks or branches. The images that are collected with this technique can be oriented in photogrammetric software (using fisheye models) and used to generate dense point clouds, provided that some constraints on the camera positions are adopted. A set of images was captured in a forest plot in the experiments. Weighted geometric constraints were imposed in the photogrammetric software to calculate the image orientation, perform dense image matching, and accurately generate a 3D point cloud. The tree trunks in the scenes were reconstructed and mapped in a local reference system. The accuracy assessment was based on differences between measured and estimated trunk diameters at different heights. Trunk sections from an image-based point cloud were also compared to the corresponding sections that were extracted from a dense terrestrial laser scanning (TLS) point cloud. Cylindrical fitting of the trunk sections allowed the assessment of the accuracies of the trunk geometric shapes in both clouds. The average difference between the cylinders that were fitted to the photogrammetric cloud and those to the TLS cloud was less than 1 cm, which indicates the potential of the proposed technique. The point densities that were obtained with vertical optical scanning were 1/3 less than those that were obtained with TLS. However, the point density can be improved by using higher resolution cameras. PMID:29207468

Vertical Optical Scanning with Panoramic Vision for Tree Trunk Reconstruction.

PubMed

Berveglieri, Adilson; Tommaselli, Antonio M G; Liang, Xinlian; Honkavaara, Eija

2017-12-02

This paper presents a practical application of a technique that uses a vertical optical flow with a fisheye camera to generate dense point clouds from a single planimetric station. Accurate data can be extracted to enable the measurement of tree trunks or branches. The images that are collected with this technique can be oriented in photogrammetric software (using fisheye models) and used to generate dense point clouds, provided that some constraints on the camera positions are adopted. A set of images was captured in a forest plot in the experiments. Weighted geometric constraints were imposed in the photogrammetric software to calculate the image orientation, perform dense image matching, and accurately generate a 3D point cloud. The tree trunks in the scenes were reconstructed and mapped in a local reference system. The accuracy assessment was based on differences between measured and estimated trunk diameters at different heights. Trunk sections from an image-based point cloud were also compared to the corresponding sections that were extracted from a dense terrestrial laser scanning (TLS) point cloud. Cylindrical fitting of the trunk sections allowed the assessment of the accuracies of the trunk geometric shapes in both clouds. The average difference between the cylinders that were fitted to the photogrammetric cloud and those to the TLS cloud was less than 1 cm, which indicates the potential of the proposed technique. The point densities that were obtained with vertical optical scanning were 1/3 less than those that were obtained with TLS. However, the point density can be improved by using higher resolution cameras.

Spitzer Infrared Spectrograph Observations of the Galactic Center: Quantifying the Extreme Ultraviolet/Soft X-ray Fluxes

NASA Astrophysics Data System (ADS)

Simpson, Janet P.

2018-04-01

It has long been shown that the extreme ultraviolet spectrum of the ionizing stars of H II regions can be estimated by comparing the observed line emission to detailed models. In the Galactic Center (GC), however, previous observations have shown that the ionizing spectral energy distribution (SED) of the local photon field is strange, producing both very low excitation ionized gas (indicative of ionization by late O stars) and also widespread diffuse emission from atoms too highly ionized to be found in normal H II regions. This paper describes the analysis of all GC spectra taken by Spitzer's Infrared Spectrograph and downloaded from the Spitzer Heritage Archive. In it, H II region densities and abundances are described, and serendipitously discovered candidate planetary nebulae, compact shocks, and candidate young stellar objects are tabulated. Models were computed with Cloudy, using SEDs from Starburst99 plus additional X-rays, and compared to the observed mid-infrared forbidden and recombination lines. The ages inferred from the model fits do not agree with recent proposed star formation sequences (star formation in the GC occurring along streams of gas with density enhancements caused by close encounters with the black hole, Sgr A*), with Sgr B1, Sgr C, and the Arches Cluster being all about the same age, around 4.5 Myr old, with similar X-ray requirements. The fits for the Quintuplet Cluster appear to give a younger age, but that could be caused by higher-energy photons from shocks from stellar winds or from a supernova.

Distribution and kinematics of atomic and molecular gas inside the solar circle

NASA Astrophysics Data System (ADS)

Marasco, A.; Fraternali, F.; van der Hulst, J. M.; Oosterloo, T.

2017-11-01

The detailed distribution and kinematics of the atomic and the CO-bright molecular hydrogen in the disc of the Milky Way inside the solar circle are derived under the assumptions of axisymmetry and pure circular motions. We divide the Galactic disc into a series of rings, and assume that the gas in each ring is described by four parameters: its rotation velocity, velocity dispersion, midplane density and its scale height. We fit these parameters to the Galactic H I and 12CO (J = 1-0) data by producing artificial H I and CO line-profiles and comparing them with the observations. Our approach allows us to fit all parameters to the data simultaneously without assuming a-priori a radial profile for one of the parameters. We present the distribution and kinematics of the H I and H2 in both the approaching (QIV) and the receding (QI) regions of the Galaxy. Our best-fit models reproduces remarkably well the observed H I and CO longitude-velocity diagrams up to a few degrees of distance from the midplane. With the exception of the innermost 2.5 kpc, QI and QIV show very similar kinematics. The rotation curves traced by the H I and H2 follow each other closely, flattening beyond R = 6.5 kpc. Both the H I and the H2 surface densities show a) a deep depression at 0.5 < R < 2.5 kpc, analogous to that shown by some nearby barred galaxies, b) local overdensities that can be interpreted in terms of spiral arms or ring-like features in the disc. The H I (H2) properties are fairly constant in the region outside the depression, with typical velocity dispersion of 8.9 ± 1.1 (4.4 ± 1.2) km s-1, density of 0.43 ± 0.11 (0.42 ± 0.22) cm-3 and HWHM scale height of 202 ± 28 (64 ± 12) pc. We also show that the H I opacity in the LAB data can be accounted for by using an "effective" spin temperature of 150 K: assuming an optically thin regime leads to an underestimate of the H I mass by about 30%.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

NASA Astrophysics Data System (ADS)

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2006-11-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n =64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs.

Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

PubMed Central

Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

2007-01-01

The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15 kcal/mol error for Coulomb and exchange, respectively. Timing results for single Coulomb energy-force calculations for (H2O)n, n=64, 128, 256, 512, and 1024, in periodic boundary conditions with PME and FFP at two different rms force tolerances are also presented. For the small and intermediate auxiliaries, PME shows faster times than FFP at both accuracies and the advantage of PME widens at higher accuracy, while for the largest auxiliary, the opposite occurs. PMID:17115732

Data approximation using a blending type spline construction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dalmo, Rune; Bratlie, Jostein

2014-11-18

Generalized expo-rational B-splines (GERBS) is a blending type spline construction where local functions at each knot are blended together by C{sup k}-smooth basis functions. One way of approximating discrete regular data using GERBS is by partitioning the data set into subsets and fit a local function to each subset. Partitioning and fitting strategies can be devised such that important or interesting data points are interpolated in order to preserve certain features. We present a method for fitting discrete data using a tensor product GERBS construction. The method is based on detection of feature points using differential geometry. Derivatives, which aremore » necessary for feature point detection and used to construct local surface patches, are approximated from the discrete data using finite differences.« less

Pseudolocal tomography

DOEpatents

Katsevich, Alexander J.; Ramm, Alexander G.

1996-01-01

Local tomographic data is used to determine the location and value of a discontinuity between a first internal density of an object and a second density of a region within the object. A beam of radiation is directed in a predetermined pattern through the region of the object containing the discontinuity. Relative attenuation data of the beam is determined within the predetermined pattern having a first data component that includes attenuation data through the region. The relative attenuation data is input to a pseudo-local tomography function, where the difference between the internal density and the pseudo-local tomography function is computed across the discontinuity. The pseudo-local tomography function outputs the location of the discontinuity and the difference in density between the first density and the second density.

Pseudolocal tomography

DOEpatents

Katsevich, A.J.; Ramm, A.G.

1996-07-23

Local tomographic data is used to determine the location and value of a discontinuity between a first internal density of an object and a second density of a region within the object. A beam of radiation is directed in a predetermined pattern through the region of the object containing the discontinuity. Relative attenuation data of the beam is determined within the predetermined pattern having a first data component that includes attenuation data through the region. The relative attenuation data is input to a pseudo-local tomography function, where the difference between the internal density and the pseudo-local tomography function is computed across the discontinuity. The pseudo-local tomography function outputs the location of the discontinuity and the difference in density between the first density and the second density. 7 figs.

Structural Insights into Triglyceride Storage Mediated by Fat Storage-Inducing Transmembrane (FIT) Protein 2

PubMed Central

Gross, David A.; Snapp, Erik L.; Silver, David L.

2010-01-01

Fat storage-Inducing Transmembrane proteins 1 & 2 (FIT1/FITM1 and FIT2/FITM2) belong to a unique family of evolutionarily conserved proteins localized to the endoplasmic reticulum that are involved in triglyceride lipid droplet formation. FIT proteins have been shown to mediate the partitioning of cellular triglyceride into lipid droplets, but not triglyceride biosynthesis. FIT proteins do not share primary sequence homology with known proteins and no structural information is available to inform on the mechanism by which FIT proteins function. Here, we present the experimentally-solved topological models for FIT1 and FIT2 using N-glycosylation site mapping and indirect immunofluorescence techniques. These methods indicate that both proteins have six-transmembrane-domains with both N- and C-termini localized to the cytosol. Utilizing this model for structure-function analysis, we identified and characterized a gain-of-function mutant of FIT2 (FLL(157-9)AAA) in transmembrane domain 4 that markedly augmented the total number and mean size of lipid droplets. Using limited-trypsin proteolysis we determined that the FLL(157-9)AAA mutant has enhanced trypsin cleavage at K86 relative to wild-type FIT2, indicating a conformational change. Taken together, these studies indicate that FIT2 is a 6 transmembrane domain-containing protein whose conformation likely regulates its activity in mediating lipid droplet formation. PMID:20520733

Florivore impacts on plant reproductive success and pollinator mortality in an obligate pollination mutualism.

PubMed

Althoff, David M; Xiao, Wei; Sumoski, Sarah; Segraves, Kari A

2013-12-01

Florivores are present in many pollination systems and can have direct and indirect effects on both plants and pollinators. Although the impact of florivores are commonly examined in facultative pollination mutualisms, their effects on obligate mutualism remain relatively unstudied. Here, we used experimental manipulations and surveys of naturally occurring plants to assess the effect of florivory on the obligate pollination mutualism between yuccas and yucca moths. Yucca filamentosa (Agavaceae) is pollinated by the moth Tegeticula cassandra (Lepidoptera: Prodoxidae), and the mutualism also attracts two florivores: a generalist, the leaf-footed bug Leptoglossus phyllopus (Hemiptera: Coreidae), and a specialist, the beetle Hymenorus densus (Coleoptera: Tenebrionidae). Experimental manipulations of leaf-footed bug densities on side branches of Y. filamentosa inflorescences demonstrated that feeding causes floral abscission but does not reduce pollen or seed production in the remaining flowers. Similar to the leaf-footed bugs, experimental manipulations of beetle densities within individual flowers demonstrated that beetle feeding also causes floral abscission, but, in addition, the beetles also cause a significant reduction in pollen availability. Path analyses of phenotypic selection based on surveys of naturally occurring plants revealed temporal variation in the plant traits important to plant fitness and the effects of the florivores on fitness. Leaf-footed bugs negatively impacted fitness when fewer plants were flowering and leaf-footed bug density was high, whereas beetles had a positive effect on fitness when there were many plants flowering and their densities were low. This positive effect was likely due to adult beetles consuming yucca moth eggs while having a negligible effect on floral abscission. Together, the actions of both florivores either augmented the relationship of plant traits and fitness or slightly weakened the relationship. Overall, the results suggest that, although florivores are always present during flowering, the impact of florivores on phenotypic selection in yuccas is strongly mitigated by changes in their densities on plants from year to year. In contrast, both florivores consistently influenced pollinator larval mortality through floral abscission, and H. densus beetles additionally via the consumption of pollinator eggs.

X-Ray Luminosity Functions of Normal Galaxies in the Great Observatories Origins Deep Survey

NASA Astrophysics Data System (ADS)

Ptak, Andrew; Mobasher, Bahram; Hornschemeier, Ann; Bauer, Franz; Norman, Colin

2007-10-01

We present soft (0.5-2 keV) X-ray luminosity functions (XLFs) in the Great Observatories Origins Deep Survey (GOODS) fields derived for galaxies at z~0.25 and 0.75. SED fitting was used to estimate photometric redshifts and separate galaxy types, resulting in a sample of 40 early-type galaxies and 46 late-type galaxies. We estimate k-corrections for both the X-ray/optical and X-ray/NIR flux ratios, which facilitates the separation of AGNs from the normal/starburst galaxies. We fit the XLFs with a power-law model using both traditional and Markov-Chain Monte Carlo (MCMC) procedures. A key advantage of the MCMC approach is that it explicitly takes into account upper limits and allows errors on ``derived'' quantities, such as luminosity densities, to be computed directly (i.e., without potentially questionable assumptions concerning the propagation of errors). The slopes of the early-type galaxy XLFs tend to be slightly flatter than the late-type galaxy XLFs, although the effect is significant at only the 90% and 97% levels for z~0.25 and 0.75. The XLFs differ between z<0.5 and z>0.5 at >99% significance levels for early-type, late-type, and all (early- and late-type) galaxies. We also fit Schechter and lognormal models to the XLFs, fitting the low- and high-redshift XLFs for a given sample simultaneously assuming only pure luminosity evolution. In the case of lognormal fits, the results of MCMC fitting of the local FIR luminosity function were used as priors for the faint- and bright-end slopes (similar to ``fixing'' these parameters at the FIR values, except here the FIR uncertainty is included). The best-fit values of the change in logL* with redshift were ΔlogL*=0.23+/-0.16 dex (for early-type galaxies) and 0.34+/-0.12 dex (for late-type galaxies), corresponding to (1+z)1.6 and (1+z)2.3. These results were insensitive to whether the Schechter or lognormal function was adopted.

A multiscale filter for noise reduction of low-dose cone beam projections.

PubMed

Yao, Weiguang; Farr, Jonathan B

2015-08-21

The Poisson or compound Poisson process governs the randomness of photon fluence in cone beam computed tomography (CBCT) imaging systems. The probability density function depends on the mean (noiseless) of the fluence at a certain detector. This dependence indicates the natural requirement of multiscale filters to smooth noise while preserving structures of the imaged object on the low-dose cone beam projection. In this work, we used a Gaussian filter, exp(-x2/2σ(2)(f)) as the multiscale filter to de-noise the low-dose cone beam projections. We analytically obtained the expression of σ(f), which represents the scale of the filter, by minimizing local noise-to-signal ratio. We analytically derived the variance of residual noise from the Poisson or compound Poisson processes after Gaussian filtering. From the derived analytical form of the variance of residual noise, optimal σ(2)(f)) is proved to be proportional to the noiseless fluence and modulated by local structure strength expressed as the linear fitting error of the structure. A strategy was used to obtain the reliable linear fitting error: smoothing the projection along the longitudinal direction to calculate the linear fitting error along the lateral direction and vice versa. The performance of our multiscale filter was examined on low-dose cone beam projections of a Catphan phantom and a head-and-neck patient. After performing the filter on the Catphan phantom projections scanned with pulse time 4 ms, the number of visible line pairs was similar to that scanned with 16 ms, and the contrast-to-noise ratio of the inserts was higher than that scanned with 16 ms about 64% in average. For the simulated head-and-neck patient projections with pulse time 4 ms, the visibility of soft tissue structures in the patient was comparable to that scanned with 20 ms. The image processing took less than 0.5 s per projection with 1024   ×   768 pixels.

Density dependence and risk of extinction in a small population of sea otters

USGS Publications Warehouse

Gerber, L.R.; Buenau, K.E.; VanBlaricom, G.

2004-01-01

Sea otters (Enhydra lutris (L.)) were hunted to extinction off the coast of Washington State early in the 20th century. A new population was established by translocations from Alaska in 1969 and 1970. The population, currently numbering at least 550 animals, A major threat to the population is the ongoing risk of majour oil spills in sea otter habitat. We apply population models to census and demographic data in order to evaluate the status of the population. We fit several density dependent models to test for density dependence and determine plausible values for the carrying capacity (K) by comparing model goodness of fit to an exponential model. Model fits were compared using Akaike Information Criterion (AIC). A significant negative relationship was found between the population growth rate and population size (r2=0.27, F=5.57, df=16, p<0.05), suggesting density dependence in Washington state sea otters. Information criterion statistics suggest that the model is the most parsimonious, followed closely by the logistic Beverton-Holt model. Values of K ranged from 612 to 759 with best-fit parameter estimates for the Beverton-Holt model including 0.26 for r and 612 for K. The latest (2001) population index count (555) puts the population at 87-92% of the estimated carrying capacity, above the suggested range for optimum sustainable population (OSP). Elasticity analysis was conducted to examine the effects of proportional changes in vital rates on the population growth rate (??). The elasticity values indicate the population is most sensitive to changes in survival rates (particularly adult survival).

An Optimization Principle for Deriving Nonequilibrium Statistical Models of Hamiltonian Dynamics

NASA Astrophysics Data System (ADS)

Turkington, Bruce

2013-08-01

A general method for deriving closed reduced models of Hamiltonian dynamical systems is developed using techniques from optimization and statistical estimation. Given a vector of resolved variables, selected to describe the macroscopic state of the system, a family of quasi-equilibrium probability densities on phase space corresponding to the resolved variables is employed as a statistical model, and the evolution of the mean resolved vector is estimated by optimizing over paths of these densities. Specifically, a cost function is constructed to quantify the lack-of-fit to the microscopic dynamics of any feasible path of densities from the statistical model; it is an ensemble-averaged, weighted, squared-norm of the residual that results from submitting the path of densities to the Liouville equation. The path that minimizes the time integral of the cost function determines the best-fit evolution of the mean resolved vector. The closed reduced equations satisfied by the optimal path are derived by Hamilton-Jacobi theory. When expressed in terms of the macroscopic variables, these equations have the generic structure of governing equations for nonequilibrium thermodynamics. In particular, the value function for the optimization principle coincides with the dissipation potential that defines the relation between thermodynamic forces and fluxes. The adjustable closure parameters in the best-fit reduced equations depend explicitly on the arbitrary weights that enter into the lack-of-fit cost function. Two particular model reductions are outlined to illustrate the general method. In each example the set of weights in the optimization principle contracts into a single effective closure parameter.

Kernel-density estimation and approximate Bayesian computation for flexible epidemiological model fitting in Python.

PubMed

Irvine, Michael A; Hollingsworth, T Déirdre

2018-05-26

Fitting complex models to epidemiological data is a challenging problem: methodologies can be inaccessible to all but specialists, there may be challenges in adequately describing uncertainty in model fitting, the complex models may take a long time to run, and it can be difficult to fully capture the heterogeneity in the data. We develop an adaptive approximate Bayesian computation scheme to fit a variety of epidemiologically relevant data with minimal hyper-parameter tuning by using an adaptive tolerance scheme. We implement a novel kernel density estimation scheme to capture both dispersed and multi-dimensional data, and directly compare this technique to standard Bayesian approaches. We then apply the procedure to a complex individual-based simulation of lymphatic filariasis, a human parasitic disease. The procedure and examples are released alongside this article as an open access library, with examples to aid researchers to rapidly fit models to data. This demonstrates that an adaptive ABC scheme with a general summary and distance metric is capable of performing model fitting for a variety of epidemiological data. It also does not require significant theoretical background to use and can be made accessible to the diverse epidemiological research community. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

An experimental study to investigate biomechanical aspects of the initial stability of press-fit implants.

PubMed

Berahmani, Sanaz; Janssen, Dennis; van Kessel, Sal; Wolfson, David; de Waal Malefijt, Maarten; Buma, Pieter; Verdonschot, Nico

2015-02-01

Initial fixation of press-fit implants depends on interference fit, surface morphology, and bone material properties. To understand the biomechanical effect of each factor and their interactions, the pull-out strength of seven types of CoCrMo tapered implants, with four different interference fits, three different surface morphologies (low, medium and high roughness), and at two time points (0 and 30 min) were tested in trabecular bone with varying density. The effect of interference fit on pull-out strength depended on the surface morphology and time. In contrast with our expectations, samples with a higher roughness had a lower pull-out strength. We found a similar magnitude of bone damage for the different surface morphologies, but the type of damage was different, with bone compaction versus bone abrasion for low and high frictional surfaces, respectively. This explains a reduced sensitivity of fixation strength to bone mineral density in the latter group. In addition, a reduction in fixation strength after a waiting period only occurred for the low frictional specimens. Our study demonstrates that it is essential to evaluate the interplay between different factors and emphasizes the importance of testing in natural bone in order to optimize the initial stability of press-fit implants. Copyright © 2014 Elsevier Ltd. All rights reserved.

Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals

NASA Astrophysics Data System (ADS)

Hansen, Andreas; Liakos, Dimitrios G.; Neese, Frank

2011-12-01

A production level implementation of the high-spin open-shell (spin unrestricted) single reference coupled pair, quadratic configuration interaction and coupled cluster methods with up to doubly excited determinants in the framework of the local pair natural orbital (LPNO) concept is reported. This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009), 10.1063/1.3086717; F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009), 10.1063/1.3173827]. The internal space is spanned by localized orbitals, while the external space for each electron pair is represented by a truncated PNO expansion. The laborious integral transformation associated with the large number of PNOs becomes feasible through the extensive use of density fitting (resolution of the identity (RI)) techniques. Technical complications arising for the open-shell case and the use of quasi-restricted orbitals for the construction of the reference determinant are discussed in detail. As in the closed-shell case, only three cutoff parameters control the average number of PNOs per electron pair, the size of the significant pair list, and the number of contributing auxiliary basis functions per PNO. The chosen threshold default values ensure robustness and the results of the parent canonical methods are reproduced to high accuracy. Comprehensive numerical tests on absolute and relative energies as well as timings consistently show that the outstanding performance of the LPNO methods carries over to the open-shell case with minor modifications. Finally, hyperfine couplings calculated with the variational LPNO-CEPA/1 method, for which a well-defined expectation value type density exists, indicate the great potential of the LPNO approach for the efficient calculation of molecular properties.

COMPUTATIONAL MODELING OF CATHODIC LIMITATIONS ON LOCALIZED CORROSION OF WETTED SS 316L, AT ROOM TEMPERATURE

DOE Office of Scientific and Technical Information (OSTI.GOV)

F. Cui; F.J. Presuel-Moreno; R.G. Kelly

2005-10-13

The ability of a SS316L surface wetted with a thin electrolyte layer to serve as an effective cathode for an active localized corrosion site was studied computationally. The dependence of the total net cathodic current, I{sub net}, supplied at the repassivation potential E{sub rp} (of the anodic crevice) on relevant physical parameters including water layer thickness (WL), chloride concentration ([Cl{sup -}]) and length of cathode (Lc) were investigated using a three-level, full factorial design. The effects of kinetic parameters including the exchange current density (i{sub o,c}) and Tafel slope ({beta}{sub c}) of oxygen reduction, the anodic passive current density (i{submore » p}) (on the cathodic surface), and E{sub rp} were studied as well using three-level full factorial designs of [Cl{sup -}] and Lc with a fixed WL of 25 {micro}m. The study found that all the three parameters WL, [Cl{sup -}] and Lc as well as the interactions of Lc x WL and Lc x [Cl{sup -}] had significant impact on I{sub net}. A five-factor regression equation was obtained which fits the computation results reasonably well, but demonstrated that interactions are more complicated than can be explained with a simple linear model. Significant effects on I{sub net} were found upon varying either i{sub o,c}, {beta}{sub c}, or E{sub rp}, whereas i{sub p} in the studied range was found to have little impact. It was observed that I{sub net} asymptotically approached maximum values (I{sub max}) when Lc increased to critical minimum values. I{sub max} can be used to determine the stability of coupled localized corrosion and the critical Lc provides important information for experimental design and corrosion protection.« less

Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density.

PubMed

Ayers, Paul W; Parr, Robert G

2008-08-07

Higher-order global softnesses, local softnesses, and softness kernels are defined along with their hardness inverses. The local hardness equalization principle recently derived by the authors is extended to arbitrary order. The resulting hierarchy of equalization principles indicates that the electronegativity/chemical potential, local hardness, and local hyperhardnesses all are constant when evaluated for the ground-state electron density. The new equalization principles can be used to test whether a trial electron density is an accurate approximation to the true ground-state density and to discover molecules with desired reactive properties, as encapsulated by their chemical reactivity indicators.

Effect of wave localization on plasma instabilities

NASA Astrophysics Data System (ADS)

Levedahl, William Kirk

1987-10-01

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

A simple approach to CO cooling in molecular clouds

NASA Astrophysics Data System (ADS)

Whitworth, A. P.; Jaffa, S. E.

2018-03-01

Carbon monoxide plays an important role in interstellar molecular clouds, both as a coolant, and as a diagnostic molecule. However, a proper evaluation of the cooling rate due to CO requires a determination of the populations of many levels, the spontaneous and stimulated radiative de-excitation rates between these levels, and the transfer of the emitted multi-line radiation; additionally, this must be done for three isotopologues. It would be useful to have a simple analytic formulation that avoided these complications and the associated computational overhead; this could then be used in situations where CO plays an important role as a coolant, but the details of this role are not the main concern. We derive such a formulation here, by first considering the two asymptotic forms that obtain in the limits of (a) low volume-density and optical depth, and (b) high volume-density and optical depth. These forms are then combined in such a way as to fit the detailed numerical results from Goldsmith & Langer (1978, ApJ, 222, 881; hereafter GL78). The GL78 results cover low temperatures, and a range of physical conditions where the interplay of thermal and sub-thermal excitation, optical-depth effects, and the contributions from rare isotopologues, are all important. The fit is obtained using the Metropolis-Hastings method, and reproduces the results of GL78 well. It is a purely local and analytic function of state — specifically a function of the density, ρ, isothermal sound speed, a, CO abundance, XCO, and velocity divergence, ∇ṡυ. As an illustration of its use, we consider the cooling layer following a slow steady non-magnetic planar J-shock. We show that, in this idealised configuration, if the post-shock cooling is dominated by CO and its isotopologues, the thickness of the post-shock cooling layer is very small and approximately independent of the pre-shock velocity, υo, or pre-shock isothermal sound speed, ao.

Short-term variations in mesozooplankton, ichthyoplankton, and nutrients associated with semi-diurnal tides in a patagonian Gulf

NASA Astrophysics Data System (ADS)

Castro, L. R.; Cáceres, M. A.; Silva, N.; Muñoz, M. I.; León, R.; Landaeta, M. F.; Soto-Mendoza, S.

2011-03-01

The relationships between the distribution of different zooplankton and ichthyoplankton stages and physical and chemical variables were studied using samples and data (CTD profiles, ADCP and current meter measurements, nutrients, mesozooplankton, ichthyoplankton) obtained from different strata during two 24-h cycles at two oceanographic stations in a Chilean Patagonian gulf during the CIMAR 10-Fiordos cruise (November, 2004). A station located at the Chacao Channel was dominated by tidal mixing and small increments in surface stratification during high tides, leading to decreased nutrient availability. This agreed with short periods of increased phytoplankton abundance during slack waters at the end of flood currents. Increases in larval density for all zooplankton and ichthyoplankton taxa corresponded to the flooding phases of the tidal cycle. When the larval density data were fit to a sinusoidal model, the regression coefficients were high, suggesting that tides are important features that modulate short-term variations in plankton abundance. All larvae did not vary synchronously with the tidal phase; rather, time lags were observed among species. The abundances of older individuals of the copepodite Rhincalanus nasutus and all zoea stages of the squat lobster Munida gregaria increased during night flood tides, whereas younger stages increased during daytime flood tides. At a station located at the Queullin Pass, which was dominated by vertical stratification patterns, the variations in peak larval density were better fitted to the semi-diurnal sea level fluctuations. Other evidence indicated internal tides below the pycnocline, which could promote larval transport in deeper layers. In the overall picture that emerges from this study, planktonic organisms from different habitats and phylogenetic origins seem to respond to the local tidal regimes. In some cases, this response might be beneficial, transporting these individuals inshore to areas that are rich in food during the peak biological production season.

Building Development and Roads: Implications for the Distribution of Stone Curlews across the Brecks

PubMed Central

Clarke, Ralph T.; Liley, Durwyn; Sharp, Joanna M.; Green, Rhys E.

2013-01-01

Background Substantial new housing and infrastructure development planned within England has the potential to conflict with the nature conservation interests of protected sites. The Breckland area of eastern England (the Brecks) is designated as a Special Protection Area for a number of bird species, including the stone curlew (for which it holds more than 60% of the UK total population). We explore the effect of buildings and roads on the spatial distribution of stone curlew nests across the Brecks in order to inform strategic development plans to avoid adverse effects on such European protected sites. Methodology Using data across all years (and subsets of years) over the period 1988-2006 but restricted to habitat areas of arable land with suitable soils, we assessed nest density in relation to the distances to nearest settlements and to major roads. Measures of the local density of nearby buildings, roads and traffic levels were assessed using normal kernel distance-weighting functions. Quasi-Poisson generalised linear mixed models allowing for spatial auto-correlation were fitted. Results Significantly lower densities of stone curlew nests were found at distances up to 1500m from settlements, and distances up to 1000m or more from major (trunk) roads. The best fitting models involved optimally distance-weighted variables for the extent of nearby buildings and the trunk road traffic levels. Significance The results and predictions from this study of past data suggests there is cause for concern that future housing development and associated road infrastructure within the Breckland area could have negative impacts on the nesting stone curlew population. Given the strict legal protection afforded to the SPA the planning and conservation bodies have subsequently agreed precautionary restrictions on building development within the distances identified and used the modelling predictions to agree mitigation measures for proposed trunk road developments. PMID:24023662

Association of Fitness With Incident Dyslipidemias Over 25 Years in the Coronary Artery Risk Development in Young Adults Study.

PubMed

Sarzynski, Mark A; Schuna, John M; Carnethon, Mercedes R; Jacobs, David R; Lewis, Cora E; Quesenberry, Charles P; Sidney, Stephen; Schreiner, Pamela J; Sternfeld, Barbara

2015-11-01

Few studies have examined the longitudinal associations of fitness or changes in fitness on the risk of developing dyslipidemias. This study examined the associations of (1) baseline fitness with 25-year dyslipidemia incidence and (2) 20-year fitness change on dyslipidemia development in middle age in the Coronary Artery Risk Development in Young Adults Study (CARDIA). Multivariable Cox proportional hazards regression models were used to test the association of baseline fitness (1985-1986) with dyslipidemia incidence over 25 years (2010-2011) in CARDIA (N=4,898). Modified Poisson regression models were used to examine the association of 20-year change in fitness with dyslipidemia incidence between Years 20 and 25 (n=2,487). Data were analyzed in June 2014 and February 2015. In adjusted models, the risk of incident low high-density lipoprotein cholesterol (HDL-C); high triglycerides; and high low-density lipoprotein cholesterol (LDL-C) was significantly lower, by 9%, 16%, and 14%, respectively, for each 2.0-minute increase in baseline treadmill endurance. After additional adjustment for baseline trait level, the associations remained significant for incident high triglycerides and high LDL-C in the total population and for incident high triglycerides in both men and women. In race-stratified models, these associations appeared to be limited to whites. In adjusted models, change in fitness did not predict 5-year incidence of dyslipidemias, whereas baseline fitness significantly predicted 5-year incidence of high triglycerides. Our findings demonstrate the importance of cardiorespiratory fitness in young adulthood as a risk factor for developing dyslipidemias, particularly high triglycerides, during the transition to middle age. Copyright © 2015 American Journal of Preventive Medicine. Published by Elsevier Inc. All rights reserved.

Association of Fitness With Incident Dyslipidemias Over 25 Years in the Coronary Artery Risk Development in Young Adults Study

PubMed Central

Sarzynski, Mark A.; Schuna, John M.; Carnethon, Mercedes R.; Jacobs, David R.; Lewis, Cora E.; Quesenberry, Charles P.; Sidney, Stephen; Schreiner, Pamela J.; Sternfeld, Barbara

2015-01-01

Introduction Few studies have examined the longitudinal associations of fitness or changes in fitness on the risk of developing dyslipidemias. This study examined the associations of: (1) baseline fitness with 25-year dyslipidemia incidence; and (2) 20-year fitness change on dyslipidemia development in middle age in the Coronary Artery Risk Development in young Adults (CARDIA) study. Methods Multivariable Cox proportional hazards regression models were used to test the association of baseline fitness (1985–1986) with dyslipidemia incidence over 25 years (2010–2011) in CARDIA (N=4,898). Modified Poisson regression models were used to examine the association of 20-year change in fitness with dyslipidemia incidence between Years 20 and 25 (n=2,487). Data were analyzed in June 2014 and February 2015. Results In adjusted models, the risk of incident low high-density lipoprotein cholesterol (HDL-C), high triglycerides, and high low-density lipoprotein cholesterol (LDL-C) was significantly lower, by 9%, 16%, and 14%, respectively, for each 2.0-minute increase in baseline treadmill endurance. After additional adjustment for baseline trait level, the associations remained significant for incident high triglycerides and high LDL-C in the total population and for incident high triglycerides in both men and women. In race-stratified models, these associations appeared to be limited to whites. In adjusted models, change in fitness did not predict 5-year incidence of dyslipidemias, whereas baseline fitness significantly predicted 5-year incidence of high triglycerides. Conclusions Our findings demonstrate the importance of cardiorespiratory fitness in young adulthood as a risk factor for developing dyslipidemias, particularly high triglycerides, during the transition to middle age. PMID:26165197

Body composition and physical fitness in women with bulimia nervosa or binge-eating disorder.

PubMed

Mathisen, Therese Fostervold; Rosenvinge, Jan H; Friborg, Oddgeir; Pettersen, Gunn; Stensrud, Trine; Hansen, Bjørge Herman; Underhaug, Karoline E; Teinung, Elisabeth; Vrabel, KariAnne; Svendsen, Mette; Bratland-Sanda, Solfrid; Sundgot-Borgen, Jorunn

2018-04-01

Knowledge about physical fitness in women with bulimia nervosa (BN) or binge-eating disorder (BED) is sparse. Previous studies have measured physical activity largely through self-report, and physical fitness variables are mainly restricted to body mass index (BMI) and bone mineral density. We expanded the current knowledge in these groups by including a wider range of physical fitness indicators and objective measures of physical activity, assessed the influence of a history of anorexia nervosa (AN), and evaluated predictive variables for physical fitness. Physical activity, blood pressure, cardiorespiratory fitness (CRF), muscle strength, body composition, and bone mineral density were measured in 156 women with BN or BED, with mean (SD) age 28.4 years (5.7) and BMI 25.3 (4.8) kg m -2 . Level of physical activity was higher than normative levels, still <50% met the official physical activity recommendation. Fitness in women with BN were on an average comparable with recommendations or normative levels, while women with BED had lower CRF and higher BMI, VAT, and body fat percentage. We found 10-12% with masked obesity. A history of AN did not predict current physical fitness, still values for current body composition were lower when comparing those with history of AN to those with no such history. Overall, participants with BN or BED displayed adequate physical fitness; however, a high number had unfavorable CRF and body composition. This finding calls for inclusion of physical fitness in routine clinical examinations and guided physical activity and dietary recommendations in the treatment of BN and BED. © 2018 The Authors International Journal of Eating Disorders Published by Wiley Periodicals, Inc.

Finite metapopulation models with density-dependent migration and stochastic local dynamics

PubMed Central

Saether, B.-E.; Engen, S.; Lande, R.

1999-01-01

The effects of small density-dependent migration on the dynamics of a metapopulation are studied in a model with stochastic local dynamics. We use a diffusion approximation to study how changes in the migration rate and habitat occupancy affect the rates of local colonization and extinction. If the emigration rate increases or if the immigration rate decreases with local population size, a positive expected rate of change in habitat occupancy is found for a greater range of habitat occupancies than when the migration is density-independent. In contrast, the reverse patterns of density dependence in respective emigration and immigration reduce the range of habitat occupancies where the metapopulation will be viable. This occurs because density-dependent migration strongly influences both the establishment and rescue effects in the local dynamics of metapopulations.

LocalMove: computing on-lattice fits for biopolymers

PubMed Central

Ponty, Y.; Istrate, R.; Porcelli, E.; Clote, P.

2008-01-01

Given an input Protein Data Bank file (PDB) for a protein or RNA molecule, LocalMove is a web server that determines an on-lattice representation for the input biomolecule. The web server implements a Markov Chain Monte-Carlo algorithm with simulated annealing to compute an approximate fit for either the coarse-grain model or backbone model on either the cubic or face-centered cubic lattice. LocalMove returns a PDB file as output, as well as dynamic movie of 3D images of intermediate conformations during the computation. The LocalMove server is publicly available at http://bioinformatics.bc.edu/clotelab/localmove/. PMID:18556754

Competition between global and local online social networks

NASA Astrophysics Data System (ADS)

Kleineberg, Kaj-Kolja; Boguñá, Marián

2016-04-01

The overwhelming success of online social networks, the key actors in the Web 2.0 cosmos, has reshaped human interactions globally. To help understand the fundamental mechanisms which determine the fate of online social networks at the system level, we describe the digital world as a complex ecosystem of interacting networks. In this paper, we study the impact of heterogeneity in network fitnesses on the competition between an international network, such as Facebook, and local services. The higher fitness of international networks is induced by their ability to attract users from all over the world, which can then establish social interactions without the limitations of local networks. In other words, inter-country social ties lead to increased fitness of the international network. To study the competition between an international network and local ones, we construct a 1:1000 scale model of the digital world, consisting of the 80 countries with the most Internet users. Under certain conditions, this leads to the extinction of local networks; whereas under different conditions, local networks can persist and even dominate completely. In particular, our model suggests that, with the parameters that best reproduce the empirical overtake of Facebook, this overtake could have not taken place with a significant probability.

Competition between global and local online social networks.

PubMed

Kleineberg, Kaj-Kolja; Boguñá, Marián

2016-04-27

The overwhelming success of online social networks, the key actors in the Web 2.0 cosmos, has reshaped human interactions globally. To help understand the fundamental mechanisms which determine the fate of online social networks at the system level, we describe the digital world as a complex ecosystem of interacting networks. In this paper, we study the impact of heterogeneity in network fitnesses on the competition between an international network, such as Facebook, and local services. The higher fitness of international networks is induced by their ability to attract users from all over the world, which can then establish social interactions without the limitations of local networks. In other words, inter-country social ties lead to increased fitness of the international network. To study the competition between an international network and local ones, we construct a 1:1000 scale model of the digital world, consisting of the 80 countries with the most Internet users. Under certain conditions, this leads to the extinction of local networks; whereas under different conditions, local networks can persist and even dominate completely. In particular, our model suggests that, with the parameters that best reproduce the empirical overtake of Facebook, this overtake could have not taken place with a significant probability.

Crustal Density Variation Along the San Andreas Fault Controls Its Secondary Faults Distribution and Dip Direction

NASA Astrophysics Data System (ADS)

Yang, H.; Moresi, L. N.

2017-12-01

The San Andreas fault forms a dominant component of the transform boundary between the Pacific and the North American plate. The density and strength of the complex accretionary margin is very heterogeneous. Based on the density structure of the lithosphere in the SW United States, we utilize the 3D finite element thermomechanical, viscoplastic model (Underworld2) to simulate deformation in the San Andreas Fault system. The purpose of the model is to examine the role of a big bend in the existing geometry. In particular, the big bend of the fault is an initial condition of in our model. We first test the strength of the fault by comparing the surface principle stresses from our numerical model with the in situ tectonic stress. The best fit model indicates the model with extremely weak fault (friction coefficient < 0.1) is requisite. To the first order, there is significant density difference between the Great Valley and the adjacent Mojave block. The Great Valley block is much colder and of larger density (>200 kg/m3) than surrounding blocks. In contrast, the Mojave block is detected to find that it has lost its mafic lower crust by other geophysical surveys. Our model indicates strong strain localization at the jointer boundary between two blocks, which is an analogue for the Garlock fault. High density lower crust material of the Great Valley tends to under-thrust beneath the Transverse Range near the big bend. This motion is likely to rotate the fault plane from the initial vertical direction to dip to the southwest. For the straight section, north to the big bend, the fault is nearly vertical. The geometry of the fault plane is consistent with field observations.

Survival of the most transferable at the top of Jacob's ladder: Defining and testing the ωB97M(2) double hybrid density functional

NASA Astrophysics Data System (ADS)

Mardirossian, Narbe; Head-Gordon, Martin

2018-06-01

A meta-generalized gradient approximation, range-separated double hybrid (DH) density functional with VV10 non-local correlation is presented. The final 14-parameter functional form is determined by screening trillions of candidate fits through a combination of best subset selection, forward stepwise selection, and random sample consensus (RANSAC) outlier detection. The MGCDB84 database of 4986 data points is employed in this work, containing a training set of 870 data points, a validation set of 2964 data points, and a test set of 1152 data points. Following an xDH approach, orbitals from the ωB97M-V density functional are used to compute the second-order perturbation theory correction. The resulting functional, ωB97M(2), is benchmarked against a variety of leading double hybrid density functionals, including B2PLYP-D3(BJ), B2GPPLYP-D3(BJ), ωB97X-2(TQZ), XYG3, PTPSS-D3(0), XYGJ-OS, DSD-PBEP86-D3(BJ), and DSD-PBEPBE-D3(BJ). Encouragingly, the overall performance of ωB97M(2) on nearly 5000 data points clearly surpasses that of all of the tested density functionals. As a Rung 5 density functional, ωB97M(2) completes our family of combinatorially optimized functionals, complementing B97M-V on Rung 3, and ωB97X-V and ωB97M-V on Rung 4. The results suggest that ωB97M(2) has the potential to serve as a powerful predictive tool for accurate and efficient electronic structure calculations of main-group chemistry.

Properties of {sup 112}Cd from the (n,n'{gamma}) reaction: Levels and level densities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garrett, P. E.; Lehmann, H.; Jolie, J.

2001-08-01

Levels in {sup 112}Cd have been studied through the (n,n'{gamma}) reaction with monoenergetic neutrons. An extended set of experiments that included excitation functions, {gamma}-ray angular distributions, and {gamma}{gamma} coincidence measurements was performed. A total of 375 {gamma} rays were placed in a level scheme comprising 200 levels (of which 238 {gamma}-ray assignments and 58 levels are newly established) up to 4 MeV in excitation. No evidence to support the existence of 47 levels as suggested in previous studies was found, and these have been removed from the level scheme. From the results, a comparison of the level density is mademore » with the constant temperature and back-shifted Fermi gas models. The back-shifted Fermi gas model with the Gilbert-Cameron spin cutoff parameter provided the best overall fit. Without using the neutron resonance information and only fitting the cumulative number of low-lying levels, the level density parameters extracted are a sensitive function of the maximum energy used in the fit.« less

The Resolved Stellar Populations Early Release Science Program

NASA Astrophysics Data System (ADS)

Gilbert, Karoline; Weisz, Daniel; Resolved Stellar Populations ERS Program Team

2018-06-01

The Resolved Stellar Populations Early Release Science Program (PI D. Weisz) will observe Local Group targets covering a range of stellar density and star formation histories, including a globular cluster, and ultra-faint dwarf galaxy, and a star-forming dwarf galaxy. Using observations of these diverse targets we will explore a broad science program: we will measure star formation histories, the sub-solar stellar initial mass function, and proper motions, perform studies of evolved stars, and map extinction in the target fields. Our observations will be of high archival value for other science such as calibrating stellar evolution models, studying variable stars, and searching for metal-poor stars. We will determine optimal observational setups and develop data reduction techniques that will be common to JWST studies of resolved stellar populations. We will also design, test, and release point spread function (PSF) fitting software specific to NIRCam and NIRISS, required for the crowded stellar regime. Prior to the Cycle 2 Call for Proposals, we will release PSF fitting software, matched HST and JWST catalogs, and clear documentation and step-by-step tutorials (such as Jupyter notebooks) for reducing crowded stellar field data and producing resolved stellar photometry catalogs, as well as for specific resolved stellar photometry science applications.

Local Intrinsic Dimension Estimation by Generalized Linear Modeling.

PubMed

Hino, Hideitsu; Fujiki, Jun; Akaho, Shotaro; Murata, Noboru

2017-07-01

We propose a method for intrinsic dimension estimation. By fitting the power of distance from an inspection point and the number of samples included inside a ball with a radius equal to the distance, to a regression model, we estimate the goodness of fit. Then, by using the maximum likelihood method, we estimate the local intrinsic dimension around the inspection point. The proposed method is shown to be comparable to conventional methods in global intrinsic dimension estimation experiments. Furthermore, we experimentally show that the proposed method outperforms a conventional local dimension estimation method.

Surrogate Immiscible Liquid Solution Pairs with Refractive Indexes Matchable Over a Wide Range of Density and Viscosity Ratios

NASA Astrophysics Data System (ADS)

Saksena, Rajat; Christensen, Kenneth T.; Pearlstein, Arne J.

2014-11-01

Use of laser diagnostics in liquid-liquid flows is limited by refractive index mismatch. This can be avoided using a surrogate pair of immiscible index-matched liquids, with density and viscosity ratios matching those of the original liquid pair. We demonstrate that a wide range of density and viscosity ratios is accessible using aqueous solutions of 1,2-propanediol and CsBr (for which index, density, and viscosity are available), and solutions of light and heavy silicone oils and 1-bromooctane (for which we measured the same properties at 119 compositions). For each liquid phase, polynomials in the composition variables were fitted to index and density and to the logarithm of kinematic viscosity, and the fits were used to determine accessible density and viscosity ratios for each matchable index. Index-matched solution pairs can be prepared with density and viscosity ratios equal to those for water-liquid CO2 at 0oC over a range of pressure, and for water-crude oil and water-trichloroethylene, each over a range of temperature. For representative index-matched solutions, equilibration changes index, density, and viscosity only slightly, and chemical analysis show that no component of either solution has significant interphase solubility. Partially supported by Intl. Inst. for Carbon-Neutral Energy Research.

Fusion reaction cross-sections using the Wong model within Skyrme energy density based semiclassical extended Thomas Fermi approach

NASA Astrophysics Data System (ADS)

Kumar, Raj; Sharma, Manoj K.; Gupta, Raj K.

2011-11-01

First, the nuclear proximity potential, obtained by using the semiclassical extended Thomas Fermi (ETF) approach in Skyrme energy density formalism (SEDF), is shown to give more realistic barriers in frozen density approximation, as compared to the sudden approximation. Then, taking advantage of the fact that, in ETF method, different Skyrme forces give different barriers (height, position and curvature), we use the ℓ-summed extended-Wong model of Gupta and collaborators (2009) [1] under frozen densities approximation for calculating the cross-sections, where the Skyrme force is chosen with proper barrier characteristics, not-requiring additional "barrier modification" effects (lowering or narrowing, etc.), for a best fit to data at sub-barrier energies. The method is applied to capture cross-section data from 48Ca + 238U, 244Pu, and 248Cm reactions and to fusion-evaporation cross-sections from 58Ni + 58Ni, 64Ni + 64Ni, and 64Ni + 100Mo reactions, with effects of deformations and orientations of nuclei included, wherever required. Interestingly, whereas the capture cross-sections in Ca-induced reactions could be fitted to any force, such as SIII, SV and GSkI, by allowing a small change of couple of units in deduced ℓ-values at below-barrier energies, the near-barrier data point of 48Ca + 248Cm reaction could not be fitted to ℓ-values deduced for below-barrier energies, calling for a check of data. On the other hand, the fusion-evaporation cross-sections in Ni-induced reactions at sub-barrier energies required different Skyrme forces, representing "modifications of the barrier", for the best fit to data at all incident center-of-mass energies E's, displaying a kind of fusion hindrance at sub-barrier energies. This barrier modification effect is taken into care here by using different Skyrme forces for reactions belonging to different regions of the periodic table. Note that more than one Skyrme force (with identical barrier characteristics) could equally well fit the same data.

Preserve America News

Science.gov Websites

interest in fitness with heritage education, encouraging the public to stay healthy and value preservation Irvington Historical Society to create a series of historic fitness trails. Funding from Community Hospital information, and local fitness news. Join the idea bank... Does your community use podcasting, guided tours by

Individual spectral densities and molecular motion in polycrystalline hexamethylbenzene-d18

NASA Astrophysics Data System (ADS)

Hoatson, Gina L.; Vold, Robert L.; Tse, Tak Y.

1994-04-01

Methods are described for obtaining the orientation dependence of individual motional spectral densities, J1(ω0) and J2(2ω0), from deuterium spin relaxation experiments on polycrystalline materials. Spectral density measurements provide detailed information in a motional regime too fast to be studied by the two-dimensional (2D) exchange method. Their potential as a source of detailed kinetic and geometric information is illustrated for hexamethylbenzene-d18 (HMB). The relaxation behavior of HMB cannot be explained exclusively by six-site jumps around the C6v axis. Agreement between the experimentally determined spectral densities and simulations is improved if the methyl rotation is explicitly included. At ambient temperature the experimental data are best fitted with the simultaneous jump rates, k6=3.85×108 s-1 and k3=5.0×1011 s-1. This is significantly different from the rate determined using a simple six-site jump model, k6=3.9×109 s-1. Geometric distortions of the methyl rotation axes can account for the observed motionally averaged electric field gradient tensor. When these distortions are included in analysis of the spectral density data, there is a small, but significant, improvement in the fit. k3 is unchanged and the best fit k6 is reduced to 2.2×108 s-1, with distortions out of plane by δ=2.5° and in plane ɛ=ɛ'=1.202.

Data Fitting to Study Ablated Hard Dental Tissues by Nanosecond Laser Irradiation

PubMed Central

Abdel-Daiem, A. M.; Ansari, M. Shahnawaze; Babkair, Saeed S.; Salah, Numan A.; Al-Mujtaba, A.

2016-01-01

Laser ablation of dental hard tissues is one of the most important laser applications in dentistry. Many works have reported the interaction of laser radiations with tooth material to optimize laser parameters such as wavelength, energy density, etc. This work has focused on determining the relationship between energy density and ablation thresholds using pulsed, 5 nanosecond, neodymium-doped yttrium aluminum garnet; Nd:Y3Al5O12 (Nd:YAG) laser at 1064 nanometer. For enamel and dentin tissues, the ablations have been performed using laser-induced breakdown spectroscopy (LIBS) technique. The ablation thresholds and relationship between energy densities and peak areas of calcium lines, which appeared in LIBS, were determined using data fitting. Furthermore, the morphological changes were studied using Scanning Electron Microscope (SEM). Moreover, the chemical stability of the tooth material after ablation has been studied using Energy-Dispersive X-Ray Spectroscopy (EDX). The differences between carbon atomic % of non-irradiated and irradiated samples were tested using statistical t-test. Results revealed that the best fitting between energy densities and peak areas of calcium lines were exponential and linear for enamel and dentin, respectively. In addition, the ablation threshold of Nd:YAG lasers in enamel was higher than that of dentin. The morphology of the surrounded ablated region of enamel showed thermal damages. For enamel, the EDX quantitative analysis showed that the atomic % of carbon increased significantly when laser energy density increased. PMID:27228169

A Patch Density Recommendation based on Convergence Studies for Vehicle Panel Vibration Response resulting from Excitation by a Diffuse Acoustic Field

NASA Technical Reports Server (NTRS)

Smith, Andrew; LaVerde, Bruce; Jones, Douglas; Towner, Robert; Waldon, James; Hunt, Ron

2013-01-01

Producing fluid structural interaction estimates of panel vibration from an applied pressure field excitation are quite dependent on the spatial correlation of the pressure field. There is a danger of either over estimating a low frequency response or under predicting broad band panel response in the more modally dense bands if the pressure field spatial correlation is not accounted for adequately. It is a useful practice to simulate the spatial correlation of the applied pressure field over a 2d surface using a matrix of small patch area regions on a finite element model (FEM). Use of a fitted function for the spatial correlation between patch centers can result in an error if the choice of patch density is not fine enough to represent the more continuous spatial correlation function throughout the intended frequency range of interest. Several patch density assumptions to approximate the fitted spatial correlation function are first evaluated using both qualitative and quantitative illustrations. The actual response of a typical vehicle panel system FEM is then examined in a convergence study where the patch density assumptions are varied over the same model. The convergence study results illustrate the impacts possible from a poor choice of patch density on the analytical response estimate. The fitted correlation function used in this study represents a diffuse acoustic field (DAF) excitation of the panel to produce vibration response.

Local tobacco policy and tobacco outlet density: associations with youth smoking.

PubMed

Lipperman-Kreda, Sharon; Grube, Joel W; Friend, Karen B

2012-06-01

This study investigates the associations between local tobacco policy, tobacco outlet density, and youth smoking. A primary focus is on whether local tobacco policy moderates the relation between outlet density and youth smoking. In all, 1,491 youth (51.9% male, mean age = 14.7 years, standard deviation = 1.05) in 50 midsized California cities were surveyed through a computer-assisted telephone interview. Measures of local clean air policy and youth access policy were created based on a review of tobacco policies in these cities. Outlet density was calculated as the number of retail tobacco outlets per 10,000 persons, and city characteristics were obtained from 2000 U.S. Census data. Using multilevel regression analyses and controlling for city characteristics, tobacco outlet density was positively associated with youth smoking. No significant main effects were found for the two tobacco policy types on any of the smoking outcomes after controlling for interactions and covariates. However, statistically significant interactions were found between local clean air policy and tobacco outlet density for ever smoked and past 12-month cigarette smoking. Comparisons of simple slopes indicated that the positive associations between tobacco outlet density and youth smoking behaviors were stronger at the lowest level of local clean air policy compared with the moderate and high levels. Our results suggest that tobacco outlet density is related to youth smoking. In addition, local clean air policy may act as a moderator of relationship between tobacco outlet density and youth smoking, such that density is less important at moderate and high levels of this tobacco policy. Copyright © 2012 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties.

PubMed

Freundorfer, Katrin; Kats, Daniel; Korona, Tatiana; Schütz, Martin

2010-12-28

A new multistate local CC2 response method for calculating excitation energies and first-order properties of excited triplet states in extended molecular systems is presented. The Laplace transform technique is employed to partition the left/right local CC2 eigenvalue problems as well as the linear equations determining the Lagrange multipliers needed for the properties. The doubles part in the equations can then be inverted on-the-fly and only effective equations for the singles part must be solved iteratively. The local approximation presented here is adaptive and state-specific. The density-fitting method is utilized to approximate the electron-repulsion integrals. The accuracy of the new method is tested by comparison to canonical reference values for a set of 12 test molecules and 62 excited triplet states. As an illustrative application example, the lowest four triplet states of 3-(5-(5-(4-(bis(4-(hexyloxy)phenyl)amino)phenyl)thiophene-2-yl)thiophene-2-yl)-2-cyanoacrylic acid, an organic sensitizer for solar-cell applications, are computed in the present work. No triplet charge-transfer states are detected among these states. This situation contrasts with the singlet states of this molecule, where the lowest singlet state has been recently found to correspond to an excited state with a pronounced charge-transfer character having a large transition strength.

Hybrid-DFT  +  V w method for band structure calculation of semiconducting transition metal compounds: the case of cerium dioxide.

PubMed

Ivády, Viktor; Gali, Adam; Abrikosov, Igor A

2017-11-15

Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Moreover, by careful parameterization, hybrid functionals can provide self-interaction reduced description of selected states. On the other hand, the uniform description of all the electronic states of a given system is a known drawback of these functionals that causes varying accuracy in the description of states with different degrees of localization. This limitation can be remedied by the orbital dependent exact exchange extension of hybrid functionals; the hybrid-DFT  +  V w method (Ivády et al 2014 Phys. Rev. B 90 035146). Based on the analogy of quasi-particle equations and hybrid-DFT single particle equations, here we demonstrate that parameters of hybrid-DFT  +  V w functional can be determined from approximate theoretical quasi-particle spectra without any fitting to experiment. The proposed method is illustrated on the charge self-consistent electronic structure calculation for cerium dioxide where itinerant valence states interact with well-localized 4f atomic like states, making this system challenging for conventional methods, either hybrid-DFT or LDA  +  U, and therefore allowing for a demonstration of the advantages of the proposed scheme.

The thermodynamic properties of nitrogen from 65 to 2000 K with pressures to 10,000 atmospheres. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Jacobsen, R. T.

1972-01-01

An equation of state is presented for liquid and gaseous nitrogen for temperatures from 65 degrees K to 2000 degrees K and pressures to 10,000 atmospheres. All the pressure-density-temperature data available from published literature have been corrected and applied to bring experimental temperatures into accord with the International Practical Temperature Scale of 1968. The coefficients of the equation of state were determined by a weighted least squares fit to selected published pressure-density-temperature data. The methods of weighting the various data for simultaneous fitting are presented and discussed.

μ SR and magnetometry study of superconducting 5% Pt-doped IrTe 2

DOE PAGES

Wilson, M. N.; Medina, T.; Munsie, T. J.; ...

2016-11-11

In this paper, we present magnetometry and muon spin rotation ( SR) measurements of the superconducting dichalcogenide Ir 0.95Pt 0.05Te 2. From both sets of measurements we calculate the penetration depth and thence superfluid density as a function of temperature. The temperature dependence of the superfluid densities from both sets of data indicate fully gapped superconductivity that can be fit to a conventional s-wave model and yield fitting parameters consistent with a BCS weak coupling superconductor. Finally, we therefore see no evidence for exotic superconductivity in Ir 0.95Pt 0.05Te 2.

μ SR and magnetometry study of superconducting 5% Pt-doped IrTe2

NASA Astrophysics Data System (ADS)

Wilson, M. N.; Medina, T.; Munsie, T. J.; Cheung, S. C.; Frandsen, B. A.; Liu, L.; Yan, J.; Mandrus, D.; Uemura, Y. J.; Luke, G. M.

2016-11-01

We present magnetometry and muon spin rotation (μ SR ) measurements of the superconducting dichalcogenide Ir0.95Pt0.05Te2 . From both sets of measurements, we calculate the penetration depth and thence superfluid density as a function of temperature. The temperature dependence of the superfluid densities from both sets of data indicate fully gapped superconductivity that can be fit to a conventional s -wave model and yield fitting parameters consistent with a BCS weak coupling superconductor. We therefore see no evidence for exotic superconductivity in Ir0.95Pt0.05Te2 .

Bayer Filter Snapshot Hyperspectral Fundus Camera for Human Retinal Imaging

PubMed Central

Liu, Wenzhong; Nesper, Peter; Park, Justin; Zhang, Hao F.; Fawzi, Amani A.

2016-01-01

Purpose To demonstrate the versatility and performance of a compact Bayer filter snapshot hyperspectral fundus camera for in-vivo clinical applications including retinal oximetry and macular pigment optical density measurements. Methods 12 healthy volunteers were recruited under an Institutional Review Board (IRB) approved protocol. Fundus images were taken with a custom hyperspectral camera with a spectral range of 460–630 nm. We determined retinal vascular oxygen saturation (sO2) for the healthy population using the captured spectra by least squares curve fitting. Additionally, macular pigment optical density was localized and visualized using multispectral reflectometry from selected wavelengths. Results We successfully determined the mean sO2 of arteries and veins of each subject (ages 21–80) with excellent intrasubject repeatability (1.4% standard deviation). The mean arterial sO2 for all subjects was 90.9% ± 2.5%, whereas the mean venous sO2 for all subjects was 64.5% ± 3.5%. The mean artery–vein (A–V) difference in sO2 varied between 20.5% and 31.9%. In addition, we were able to reveal and quantify macular pigment optical density. Conclusions We demonstrated a single imaging tool capable of oxygen saturation and macular pigment density measurements in vivo. The unique combination of broad spectral range, high spectral–spatial resolution, rapid and robust imaging capability, and compact design make this system a valuable tool for multifunction spectral imaging that can be easily performed in a clinic setting. PMID:27767345

Experimental investigation on the caries characteristic of dental tissues by photothermal radiometry scanning imaging

NASA Astrophysics Data System (ADS)

Wang, Fei; Liu, Jun-yan; Wang, Xiao-chun; Wang, Yang

2018-03-01

In this paper, a one-dimensional (1D) thermal-wave model coupled diffuse-photon-density-wave for three-layer dental tissues using modulated laser stimulation was employed to illustrate the relationship between dental caries characteristic (i.e. caries layer thickness, optical absorption coefficient and optical scattering coefficient) and photothermal radiometry (PTR) signal. Experimental investigation of artificial caries was carried out using PTR scanning imaging. The PTR amplitude and phase delay were increased with dental demineralized treatment. The local caries characteristic parameters were obtained by the best-fitting method based on the 1D thermal-wave model. The PTR scanning imaging measurements illustrated that the optical absorption coefficient and scattering coefficient of caries region were much higher than those of the healthy enamel area. The demineralization thickness of caries region was measured by PTR scanning imaging and its average value shows in good agreement with the digital microscope. Experimental results show that PTR scanning imaging has the merits of high contrast for local inhomogeneity of dental caries; furthermore, this method is an allowance to provide a flexibility for non-contact quantitative evaluation of dental caries.

Measurements of exciton diffusion by degenerate four-wave mixing in CdS1-xSex

NASA Astrophysics Data System (ADS)

Schwab, H.; Pantke, K.-H.; Hvam, J. M.; Klingshirn, C.

1992-09-01

We performed transient-grating experiments to study the diffusion of excitons in CdS1-xSex mixed crystals. The decay of the initially created exciton density grating is well described for t<=1 ns by a stretched-exponential function. For later times this decay changes over to a behavior that is well fitted by a simple exponential function. During resonant excitation of the localized states, we find the diffusion coefficient (D) to be considerably smaller than in the binary compounds CdSe and CdS. At 4.2 K, D is below our experimental resolution which is about 0.025 cm2/s. With increasing lattice temperature (Tlattice) the diffusion coefficient increases. It was therefore possible to prove, in a diffusion experiment, that at Tlattice<=5 K the excitons are localized, while the exciton-phonon interaction leads to a delocalization and thus to the onset of diffusion. It was possible to deduce the diffusion coefficient of the extended excitons as well as the energetic position of the mobility edge.

Quantum transport modeling of magnetic focusing in graphene p-n junctions

NASA Astrophysics Data System (ADS)

Lagasse, Samuel; Lee, Ji Ung

We demonstrate a new model for studying transverse magnetic focusing experiments in graphene p-n junctions, using quantum transport methods. By including a combination of dephasing edge contacts and Landauer-Büttiker multi-terminal analysis, we observe an exceptional degree of agreement with recent experimental data from Chen et al, without fitting parameters. Our model captures both the resonance and off-resonance non-local resistances from experiment. Our calculated quantum transmission functions indicate the origin of the sign of the measured resistance. Spatially resolved flow maps of local particle current density are used to explain our results and rapidly convey the mechanisms of device operation. Mode-by-mode analysis of transport shows the complex interplay between semi-classical skipping orbits and quantum effects. Quantum interference, p-n filtering, and edge scattering are clearly seen. Additionally, we are able to explain subtle features from experiment, such as the p-p- to p-p+ transition and the second p-n focusing resonance. The authors acknolwedge financial support provided by the U.S. Naval Research Laboratory (Grant Number: N00173-14-1-G017).

Influence of Correspondence Noise and Spatial Scaling on the Upper Limit for Spatial Displacement in Fully-Coherent Random-Dot Kinematogram Stimuli

PubMed Central

Tripathy, Srimant P.; Shafiullah, Syed N.; Cox, Michael J.

2012-01-01

Correspondence noise is a major factor limiting direction discrimination performance in random-dot kinematograms [1]. In the current study we investigated the influence of correspondence noise on Dmax, which is the upper limit for the spatial displacement of the dots for which coherent motion is still perceived. Human direction discrimination performance was measured, using 2-frame kinematograms having leftward/rightward motion, over a 200-fold range of dot-densities and a four-fold range of dot displacements. From this data Dmax was estimated for the different dot densities tested. A model was proposed to evaluate the correspondence noise in the stimulus. This model summed the outputs of a set of elementary Reichardt-type local detectors that had receptive fields tiling the stimulus and were tuned to the two directions of motion in the stimulus. A key assumption of the model was that the local detectors would have the radius of their catchment areas scaled with the displacement that they were tuned to detect; the scaling factor k linking the radius to the displacement was the only free parameter in the model and a single value of k was used to fit all of the psychophysical data collected. This minimal, correspondence-noise based model was able to account for 91% of the variability in the human performance across all of the conditions tested. The results highlight the importance of correspondence noise in constraining the largest displacement that can be detected. PMID:23056172

Influence of correspondence noise and spatial scaling on the upper limit for spatial displacement in fully-coherent random-dot kinematogram stimuli.

PubMed

Tripathy, Srimant P; Shafiullah, Syed N; Cox, Michael J

2012-01-01

Correspondence noise is a major factor limiting direction discrimination performance in random-dot kinematograms. In the current study we investigated the influence of correspondence noise on Dmax, which is the upper limit for the spatial displacement of the dots for which coherent motion is still perceived. Human direction discrimination performance was measured, using 2-frame kinematograms having leftward/rightward motion, over a 200-fold range of dot-densities and a four-fold range of dot displacements. From this data Dmax was estimated for the different dot densities tested. A model was proposed to evaluate the correspondence noise in the stimulus. This model summed the outputs of a set of elementary Reichardt-type local detectors that had receptive fields tiling the stimulus and were tuned to the two directions of motion in the stimulus. A key assumption of the model was that the local detectors would have the radius of their catchment areas scaled with the displacement that they were tuned to detect; the scaling factor k linking the radius to the displacement was the only free parameter in the model and a single value of k was used to fit all of the psychophysical data collected. This minimal, correspondence-noise based model was able to account for 91% of the variability in the human performance across all of the conditions tested. The results highlight the importance of correspondence noise in constraining the largest displacement that can be detected.

On the electron density localization in elemental cubic ceramic and FCC transition metals by means of a localized electrons detector.

PubMed

Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro

2017-06-14

The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.

Effect of wave localization on plasma instabilities. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Levedahl, William Kirk

1987-01-01

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Local and linear chemical reactivity response functions at finite temperature in density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franco-Pérez, Marco, E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México, D.F. 09340; Ayers, Paul W., E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx

2015-12-28

We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dualmore » descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.« less

Local and linear chemical reactivity response functions at finite temperature in density functional theory.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2015-12-28

We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dual descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.

Effect of variation in self-incompatibility on pollen limitation and inbreeding depression in Flourensia cernua (Asteraceae) scrubs of contrasting density

PubMed Central

Ferrer, Miriam M.; Good-Avila, Sara V.; Montaña, Carlos; Domínguez, César A.; Eguiarte, Luis E.

2009-01-01

Background and Aims Selection may favour a partial or complete loss of self-incompatibility (SI) if it increases the reproductive output of individuals in the presence of low mate availability. The reproductive output of individuals varying in their strength of SI may also be affected by population density via its affect on the spatial structuring and number of S-alleles in populations. Modifiers increasing levels of self-compatibility can be selected when self-compatible individuals receive reproductive compensation by, for example, increasing seed set and/or when they become associated with high fitness genotypes. Methods The effect of variation in the strength of SI and scrub density (low versus high) on seed set, seed germination and inbreeding depression in seed germination (δgerm) was investigated in the partially self-incompatible species Flourensia cernua by analysing data from self-, cross- and open-pollinated florets. Key Results Examination of 100 plants in both high and low scrub densities revealed that 51% of plants were strongly self-incompatible and 49 % varied from being self-incompatible to self-compatible. Seed set after hand cross-pollination was higher than after open-pollination for self-incompatible, partially self-incompatible and self-compatible plants but was uniformly low for strongly self-incompatible plants. Strongly self-incompatible and self-incompatible plants exhibited lower seed set, seed germination and multiplicative female fitness (floral display × seed set × seed germination) in open-pollinated florets compared with partially self-incompatible and self-compatible plants. Scrub density also had an effect on seed set and inbreeding depression: in low-density scrubs seed set was higher after open-pollination and δgerm was lower. Conclusions These data suggest that (a) plants suffered outcross pollen limitation, (b) female fitness in partially self-incompatible and self-compatible plants is enhanced by increased mate-compatibility and (c) plants in low-density scrubs received higher quality pollen via open-pollination than plants in high-density scrubs. PMID:19218580

Characterizing Milky Way Tidal Streams and Dark Matter with MilkyWay@home

NASA Astrophysics Data System (ADS)

Newberg, Heidi Jo; Shelton, Siddhartha; Weiss, Jake

2018-01-01

MilkyWay@home is a 0.5 PetaFLOPS volunteer computing platform that is mapping out the density substructure of the Sagittarius Dwarf Tidal Stream, the so-called bifurcated portion of the Sagittarius Stream, and the Virgo Overdensity, using turnoff stars from the Sloan Digital Sky Survey. It is also using the density of stars along tidal streams such as the Orphan Stream to constrain properties of the dwarf galaxy progenitor of this stream, including the dark matter portion. Both of these programs are enabled by a specially-built optimization package that uses differential evolution or particle swarm methods to find the optimal model parameters to fit a set of data. To fit the density of tidal streams, 20 parameters are simultaneously fit to each 2.5-degree-wide stripe of SDSS data. Five parameters describing the stellar and dark matter profile of the Orphan Stream progenitor and the time that the dwarf galaxy has been evolved through the Galactic potential are used in an n-body simulation that is then fit to observations of the Orphan Stream. New results from MilkyWay@home will be presented. This project was supported by NSF grant AST 16-15688, the NASA/NY Space Grant fellowship, and contributions made by The Marvin Clan, Babette Josephs, Manit Limlamai, and the 2015 Crowd Funding Campaign to Support Milky Way Research.

An Iterative Interplanetary Scintillation (IPS) Analysis Using Time-dependent 3-D MHD Models as Kernels

NASA Astrophysics Data System (ADS)

Jackson, B. V.; Yu, H. S.; Hick, P. P.; Buffington, A.; Odstrcil, D.; Kim, T. K.; Pogorelov, N. V.; Tokumaru, M.; Bisi, M. M.; Kim, J.; Yun, J.

2017-12-01

The University of California, San Diego has developed an iterative remote-sensing time-dependent three-dimensional (3-D) reconstruction technique which provides volumetric maps of density, velocity, and magnetic field. We have applied this technique in near real time for over 15 years with a kinematic model approximation to fit data from ground-based interplanetary scintillation (IPS) observations. Our modeling concept extends volumetric data from an inner boundary placed above the Alfvén surface out to the inner heliosphere. We now use this technique to drive 3-D MHD models at their inner boundary and generate output 3-D data files that are fit to remotely-sensed observations (in this case IPS observations), and iterated. These analyses are also iteratively fit to in-situ spacecraft measurements near Earth. To facilitate this process, we have developed a traceback from input 3-D MHD volumes to yield an updated boundary in density, temperature, and velocity, which also includes magnetic-field components. Here we will show examples of this analysis using the ENLIL 3D-MHD and the University of Alabama Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS) heliospheric codes. These examples help refine poorly-known 3-D MHD variables (i.e., density, temperature), and parameters (gamma) by fitting heliospheric remotely-sensed data between the region near the solar surface and in-situ measurements near Earth.

Demographic models reveal the shape of density dependence for a specialist insect herbivore on variable host plants.

PubMed

Miller, Tom E X

2007-07-01

1. It is widely accepted that density-dependent processes play an important role in most natural populations. However, persistent challenges in our understanding of density-dependent population dynamics include evaluating the shape of the relationship between density and demographic rates (linear, concave, convex), and identifying extrinsic factors that can mediate this relationship. 2. I studied the population dynamics of the cactus bug Narnia pallidicornis on host plants (Opuntia imbricata) that varied naturally in relative reproductive effort (RRE, the proportion of meristems allocated to reproduction), an important plant quality trait. I manipulated per-plant cactus bug densities, quantified subsequent dynamics, and fit stage-structured models to the experimental data to ask if and how density influences demographic parameters. 3. In the field experiment, I found that populations with variable starting densities quickly converged upon similar growth trajectories. In the model-fitting analyses, the data strongly supported a model that defined the juvenile cactus bug retention parameter (joint probability of surviving and not dispersing) as a nonlinear decreasing function of density. The estimated shape of this relationship shifted from concave to convex with increasing host-plant RRE. 4. The results demonstrate that host-plant traits are critical sources of variation in the strength and shape of density dependence in insects, and highlight the utility of integrated experimental-theoretical approaches for identifying processes underlying patterns of change in natural populations.

Joint density-functional theory and its application to systems in solution

NASA Astrophysics Data System (ADS)

Petrosyan, Sahak A.

The physics of solvation, the interaction of water with solutes, plays a central role in chemistry and biochemistry, and it is essential for the very existence of life. Despite the central importance of water and the advent of the quantum theory early in the twentieth century, the link between the fundamental laws of physics and the observable properties of water remain poorly understood to this day. The central goal of this thesis is to develop a new formalism and framework to make the study of systems (solutes or surfaces) in contact with liquid water as practical and accurate as standard electronic structure calculations without the need for explicit averaging over large ensembles of configurations of water molecules. The thesis introduces a new form of density functional theory for the ab initio description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of a solute with a classical density-functional theory for the liquid into a single variational principle for the free energy of the combined system. Using the new form of density-functional theory for the ab initio description of electronic systems in contact with a molecular liquid environment, the thesis then presents the first detailed study of the impact of a solvent on the surface chemistry of Cr2O3, the passivating layer of stainless steel alloys. In comparison to a vacuum, we predict that the presence of water has little impact on the adsorption of chloride ions to the oxygen-terminated surface but has a dramatic effect on the binding of hydrogen to that surface. A key ingredient of a successful joint density functional theory is a good approximate functional for describing the solvent. We explore how the simplest examples of the best known class of approximate forms for the classical density functional fail when applied directly to water. The thesis then presents a computationally efficient density-functional theory for water which overcomes this difficulty and gives reasonable agreement with molecular dynamics simulation data for the solvation of hard spheres in water and sufficient agreement with experimental data for hydration of inert gas atoms to justify its use in a joint theory with standard approximate density functionals used in electronic structure calculations. The last study in the thesis combines the previous ideas and presenting an approximate model density functional which includes a description of cavitation effects through a classical density-functional theory; a description of dielectric effects through a non-local polarizability, and a description of the coupling of the solvent to the electrons of the solute through a pseudopotential. Without any empirical fitting of parameters to solvation data, this theory predicts solvation energies at least as well as state-of-the-art quantum-chemical cavity approaches, which do employ such fitting. Although this agreement without adjustable parameters is very encouraging and shows the promise of the joint density-functional approach, the functionals which we develop here are models and do not yet include all of the microscopic physics. The thesis concludes with a description of the directions future work should take to address this weakness.

DOE Office of Scientific and Technical Information (OSTI.GOV)

La Russa, D

Purpose: The purpose of this project is to develop a robust method of parameter estimation for a Poisson-based TCP model using Bayesian inference. Methods: Bayesian inference was performed using the PyMC3 probabilistic programming framework written in Python. A Poisson-based TCP regression model that accounts for clonogen proliferation was fit to observed rates of local relapse as a function of equivalent dose in 2 Gy fractions for a population of 623 stage-I non-small-cell lung cancer patients. The Slice Markov Chain Monte Carlo sampling algorithm was used to sample the posterior distributions, and was initiated using the maximum of the posterior distributionsmore » found by optimization. The calculation of TCP with each sample step required integration over the free parameter α, which was performed using an adaptive 24-point Gauss-Legendre quadrature. Convergence was verified via inspection of the trace plot and posterior distribution for each of the fit parameters, as well as with comparisons of the most probable parameter values with their respective maximum likelihood estimates. Results: Posterior distributions for α, the standard deviation of α (σ), the average tumour cell-doubling time (Td), and the repopulation delay time (Tk), were generated assuming α/β = 10 Gy, and a fixed clonogen density of 10{sup 7} cm−{sup 3}. Posterior predictive plots generated from samples from these posterior distributions are in excellent agreement with the observed rates of local relapse used in the Bayesian inference. The most probable values of the model parameters also agree well with maximum likelihood estimates. Conclusion: A robust method of performing Bayesian inference of TCP data using a complex TCP model has been established.« less

A NEW ELECTRON-DENSITY MODEL FOR ESTIMATION OF PULSAR AND FRB DISTANCES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yao, J. M.; Wang, N.; Manchester, R. N.

2017-01-20

We present a new model for the distribution of free electrons in the Galaxy, the Magellanic Clouds, and the intergalactic medium (IGM) that can be used to estimate distances to real or simulated pulsars and fast radio bursts (FRBs) based on their dispersion measure (DM). The Galactic model has an extended thick disk representing the so-called warm interstellar medium, a thin disk representing the Galactic molecular ring, spiral arms based on a recent fit to Galactic H ii regions, a Galactic Center disk, and seven local features including the Gum Nebula, Galactic Loop I, and the Local Bubble. An offsetmore » of the Sun from the Galactic plane and a warp of the outer Galactic disk are included in the model. Parameters of the Galactic model are determined by fitting to 189 pulsars with independently determined distances and DMs. Simple models are used for the Magellanic Clouds and the IGM. Galactic model distances are within the uncertainty range for 86 of the 189 independently determined distances and within 20% of the nearest limit for a further 38 pulsars. We estimate that 95% of predicted Galactic pulsar distances will have a relative error of less than a factor of 0.9. The predictions of YMW16 are compared to those of the TC93 and NE2001 models showing that YMW16 performs significantly better on all measures. Timescales for pulse broadening due to interstellar scattering are estimated for (real or simulated) Galactic and Magellanic Cloud pulsars and FRBs.« less

Cliffs versus plains: Can ROSINA/COPS and OSIRIS data of comet 67P/Churyumov-Gerasimenko in autumn 2014 constrain inhomogeneous outgassing?

NASA Astrophysics Data System (ADS)

Marschall, R.; Mottola, S.; Su, C. C.; Liao, Y.; Rubin, M.; Wu, J. S.; Thomas, N.; Altwegg, K.; Sierks, H.; Ip, W.-H.; Keller, H. U.; Knollenberg, J.; Kührt, E.; Lai, I. L.; Skorov, Y.; Jorda, L.; Preusker, F.; Scholten, F.; Vincent, J.-B.; Osiris Team; Rosina Team

2017-09-01

Context. This paper describes the modelling of gas and dust data acquired in the period August to October 2014 from the European Space Agency's Rosetta spacecraft when it was in close proximity to the nucleus of comet 67P/Churyumov-Gerasimenko. Aims: With our 3D gas and dust comae models this work attempts to test the hypothesis that cliff activity on comet 67P/Churyumov-Gerasimenko can solely account for the local gas density data observed by the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) and the dust brightnesses seen by the Optical, Spectroscopic, and Infrared Remote Imaging System (OSIRIS) in the considered time span. Methods: The model uses a previously developed shape model of the nucleus. From this, the water sublimation rates and gas temperatures at the surface are computed. The gas expansion is modelled with a 3D Direct Simulation Monte Carlo algorithm. A dust drag algorithm is then used to compute dust volume number densities in the coma, which are then converted to brightnesses using Mie theory and a line-of-sight integration. Furthermore we have studied the impact of topographic re-radiation on the models. Results: We show that gas activity from only cliff areas produces a fit to the ROSINA/COPS data that is as statistically good as a purely insolation-driven model. In contrast, pure cliff activity does not reproduce the dust brightness observed by OSIRIS and can thus be ruled out. On the other hand, gas activity from the Hapi region in addition to cliff activity produces a statistically better fit to the ROSINA/COPS data than purely insolation-driven outgassing and also fits the OSIRIS observations rather well. We found that topographic re-radiation does not contribute significantly to the sublimation behaviour of H2O but plays an important role in how the gas flux interacts with the irregular shape of the nucleus. Conclusions: We demonstrate that fits to the observations are non-unique. We can conclude however that gas and dust activity from cliffs and the Hapi region are consistent with the ROSINA/COPS and OSIRIS data sets for the considered time span and are thus a plausible solution. Models with activity from low gravitational slopes alone provide a statistically inferior solution.

A longitudinal analysis of alcohol outlet density and assault.

PubMed

Livingston, Michael

2008-06-01

The majority of studies that have examined the local-level relationship between alcohol outlet density and violence have utilized cross-sectional data. These studies have consistently demonstrated that there is a spatial link between outlets and violence, but because of their design they have not been able to determine whether changes in outlet density result in changes in rates of violence. The few studies that have examined this question over time have found that the violence rates are related to changes in outlet density. This study provides further evidence of this link and examines the characteristics of regions in which changes in outlet density are most strongly associated with changes in violence rates. The study examined 9 years of data measuring alcohol outlet density (using liquor licensing records) and alcohol-related violence (using police recorded night-time assaults) from 186 postcodes in the metropolitan area of Melbourne, Australia. The relationships between 3 types of alcohol outlet density and alcohol-related violence were assessed using fixed-effects models. The postcodes were then grouped into 5 clusters based on their socio-demographic profile and separate fixed-effects models were fitted to assess whether the relationships between outlets and violence differed based on the type of region being examined. The initial models found overall positive relationships between all 3 types of alcohol outlets and violence. When separate models were developed for postcode clusters, they demonstrated that the link between outlet density and violence was significant in all neighborhood types, but the specific relationships varied substantially. Changes in the number of alcohol outlets in a community are linked to changes in the amount of violence the community experiences. This relationship varies across the clusters of suburbs examined, with packaged liquor outlets consistently associated with violence in suburban areas and general (hotel) and on-premise (nightclubs, restaurants, and bars) licenses associated with violence in inner-city and inner-suburban areas.

Evaluating the quality of NMR structures by local density of protons.

PubMed

Ban, Yih-En Andrew; Rudolph, Johannes; Zhou, Pei; Edelsbrunner, Herbert

2006-03-01

Evaluating the quality of experimentally determined protein structural models is an essential step toward identifying potential errors and guiding further structural refinement. Herein, we report the use of proton local density as a sensitive measure to assess the quality of nuclear magnetic resonance (NMR) structures. Using 256 high-resolution crystal structures with protons added and optimized, we show that the local density of different proton types display distinct distributions. These distributions can be characterized by statistical moments and are used to establish local density Z-scores for evaluating both global and local packing for individual protons. Analysis of 546 crystal structures at various resolutions shows that the local density Z-scores increase as the structural resolution decreases and correlate well with the ClashScore (Word et al. J Mol Biol 1999;285(4):1711-1733) generated by all atom contact analysis. Local density Z-scores for NMR structures exhibit a significantly wider range of values than for X-ray structures and demonstrate a combination of potentially problematic inflation and compression. Water-refined NMR structures show improved packing quality. Our analysis of a high-quality structural ensemble of ubiquitin refined against order parameters shows proton density distributions that correlate nearly perfectly with our standards derived from crystal structures, further validating our approach. We present an automated analysis and visualization tool for proton packing to evaluate the quality of NMR structures. 2005 Wiley-Liss, Inc.

Variation in local carrying capacity and the individual fate of bacterial colonizers in the phyllosphere

PubMed Central

Remus-Emsermann, Mitja N P; Tecon, Robin; Kowalchuk, George A; Leveau, Johan H J

2012-01-01

Using a phyllosphere model system, we demonstrated that the term ‘carrying capacity', as it is commonly used in microbial ecology, needs to be understood as the sum of many ‘local carrying capacities' in order to better explain and predict the course and outcome of bacterial colonization of an environment. Using a green fluorescent protein-based bioreporter system for the quantification of reproductive success (RS) in individual Erwinia herbicola cells, we were able to reconstruct the contribution of individual immigrants to bacterial population sizes on leaves. Our analysis revealed that plant foliage represents to bacteria an environment where individual fate is determined by the local carrying capacity of the site where an immigrant cell lands. With increasing inoculation densities, the RS of most immigrants declined, suggesting that local carrying capacity under the tested conditions was linked to local nutrient availability. Fitting the observed experimental data to an adapted model of phyllosphere colonization indicated that there might exist three types of sites on leaves, which differ in their frequency of occurrence and local carrying capacity. Specifically, our data were consistent with a leaf environment that is characterized by few sites where individual immigrants can produce high numbers of offspring, whereas the remainder of the leaf offered an equal number of sites with low and medium RS. Our findings contribute to a bottom–up understanding of bacterial colonization of leaf surfaces, which includes a quantifiable role of chance in the experience at the individual level and in the outcome at the population level. PMID:22258099

An elastic analysis of stresses in a uniaxially loaded sheet containing an interference-fit bolt

NASA Technical Reports Server (NTRS)

Crews, J. H., Jr.

1972-01-01

The stresses in a sheet with an interference-fit bolt have been calculated for two sheet-bolt interface conditions: a frictionless interface and a fixed (no-slip) interface. The stress distributions were calculated for various combinations of sheet and bolt moduli. The results show that for repeated loading the local stress range is significantly smaller if an interference bolt is used instead of a loosely fitting one. This reduction in local stress range is more pronounced when the ratio of bolt modulus to sheet modulus is large. The analysis also indicates that currently used standard values of interference cause yielding in the sheet.

Density of alcohol outlets and teenage drinking: living in an alcogenic environment is associated with higher consumption in a metropolitan setting.

PubMed

Huckle, Taisia; Huakau, John; Sweetsur, Paul; Huisman, Otto; Casswell, Sally

2008-10-01

This study examines the relationship between physical, socio-economic and social environments and alcohol consumption and drunkenness among a general population sample of drinkers aged 12-17 years. DESIGN, SETTING, PARTICIPANTS AND MEASURES: The study was conducted in Auckland, New Zealand. The design comprised two components: (i) environmental measures including alcohol outlet density, locality-based measure of willingness to sell alcohol (derived from purchase surveys of outlets) and a locality-based neighbourhood deprivation measure calculated routinely in New Zealand (known as NZDEP); and (ii) the second component was a random telephone survey to collect individual-level information from respondents aged 12-17 years including ethnicity, frequency of alcohol supplied socially (by parents, friends and others), young person's income; frequency of exposure to alcohol advertising; recall of brands of alcohol and self-reported purchase from alcohol outlets. A multi-level model was fitted to predict typical-occasion quantity, frequency of drinking and drunkenness in drinkers aged 12-17 years. Typical-occasion quantity was predicted by: frequency of social supply (by parents, friends and others); ethnicity and outlet density; and self-reported purchasing approached significance. NZDEP was correlated highly with outlet density so could not be analysed in the same model. In a separate model, NZDEP was associated with quantity consumed on a typical drinking occasion. Annual frequency was predicted by: frequency of social supply of alcohol, self-reported purchasing from alcohol outlets and ethnicity. Feeling drunk was predicted by frequency of social supply of alcohol, self-reported purchasing from alcohol outlets and ethnicity; outlet density approached significance. Age and gender also had effects in the models, but retailers' willingness to sell to underage patrons had no effects on consumption, nor did the advertising measures. The young person's income was influential on typical-occasion quantity once deprivation was taken into account. Alcohol outlet density was associated with quantities consumed among teenage drinkers in this study, as was neighbourhood deprivation. Supply by family, friends and others also predicted quantities consumed among underage drinkers and both social supply and self-reported purchase were associated with frequency of drinking and drunkenness. The ethnic status of young people also had an effect on consumption.

Measurement of electron density profiles on HT-6M tokamak by 7-channel FIR HCN laser interferometer

NASA Astrophysics Data System (ADS)

Xiang, Gao; Qiliang, Guo

1990-12-01

Electron density measurements are periormed on HT-6M tokamak using a 7 channel Far-Infrared HCN laser interferometer. From the measured line integrals--7 channel phase shifts the electron density profile is reconstructed by a fit procedure. Results were tested by comparison to Abel inverted. Some recent interesting experimental results were reported.

Influence of dislocation density on internal quantum efficiency of GaN-based semiconductors

NASA Astrophysics Data System (ADS)

Yu, Jiadong; Hao, Zhibiao; Li, Linsen; Wang, Lai; Luo, Yi; Wang, Jian; Sun, Changzheng; Han, Yanjun; Xiong, Bing; Li, Hongtao

2017-03-01

By considering the effects of stress fields coming from lattice distortion as well as charge fields coming from line charges at edge dislocation cores on radiative recombination of exciton, a model of carriers' radiative and non-radiative recombination has been established in GaN-based semiconductors with certain dislocation density. Using vector average of the stress fields and the charge fields, the relationship between dislocation density and the internal quantum efficiency (IQE) is deduced. Combined with related experimental results, this relationship is fitted well to the trend of IQEs of bulk GaN changing with screw and edge dislocation density, meanwhile its simplified form is fitted well to the IQEs of AlGaN multiple quantum well LEDs with varied threading dislocation densities but the same light emission wavelength. It is believed that this model, suitable for different epitaxy platforms such as MOCVD and MBE, can be used to predict to what extent the luminous efficiency of GaN-based semiconductors can still maintain when the dislocation density increases, so as to provide a reasonable rule of thumb for optimizing the epitaxial growth of GaN-based devices.

Model-based local density sharpening of cryo-EM maps

PubMed Central

Jakobi, Arjen J; Wilmanns, Matthias

2017-01-01

Atomic models based on high-resolution density maps are the ultimate result of the cryo-EM structure determination process. Here, we introduce a general procedure for local sharpening of cryo-EM density maps based on prior knowledge of an atomic reference structure. The procedure optimizes contrast of cryo-EM densities by amplitude scaling against the radially averaged local falloff estimated from a windowed reference model. By testing the procedure using six cryo-EM structures of TRPV1, β-galactosidase, γ-secretase, ribosome-EF-Tu complex, 20S proteasome and RNA polymerase III, we illustrate how local sharpening can increase interpretability of density maps in particular in cases of resolution variation and facilitates model building and atomic model refinement. PMID:29058676

Precision PEP-II optics measurement with an SVD-enhanced Least-Square fitting

NASA Astrophysics Data System (ADS)

Yan, Y. T.; Cai, Y.

2006-03-01

A singular value decomposition (SVD)-enhanced Least-Square fitting technique is discussed. By automatic identifying, ordering, and selecting dominant SVD modes of the derivative matrix that responds to the variations of the variables, the converging process of the Least-Square fitting is significantly enhanced. Thus the fitting speed can be fast enough for a fairly large system. This technique has been successfully applied to precision PEP-II optics measurement in which we determine all quadrupole strengths (both normal and skew components) and sextupole feed-downs as well as all BPM gains and BPM cross-plane couplings through Least-Square fitting of the phase advances and the Local Green's functions as well as the coupling ellipses among BPMs. The local Green's functions are specified by 4 local transfer matrix components R12, R34, R32, R14. These measurable quantities (the Green's functions, the phase advances and the coupling ellipse tilt angles and axis ratios) are obtained by analyzing turn-by-turn Beam Position Monitor (BPM) data with a high-resolution model-independent analysis (MIA). Once all of the quadrupoles and sextupole feed-downs are determined, we obtain a computer virtual accelerator which matches the real accelerator in linear optics. Thus, beta functions, linear coupling parameters, and interaction point (IP) optics characteristics can be measured and displayed.

Quantifying and Reducing Curve-Fitting Uncertainty in Isc

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campanelli, Mark; Duck, Benjamin; Emery, Keith

2015-06-14

Current-voltage (I-V) curve measurements of photovoltaic (PV) devices are used to determine performance parameters and to establish traceable calibration chains. Measurement standards specify localized curve fitting methods, e.g., straight-line interpolation/extrapolation of the I-V curve points near short-circuit current, Isc. By considering such fits as statistical linear regressions, uncertainties in the performance parameters are readily quantified. However, the legitimacy of such a computed uncertainty requires that the model be a valid (local) representation of the I-V curve and that the noise be sufficiently well characterized. Using more data points often has the advantage of lowering the uncertainty. However, more data pointsmore » can make the uncertainty in the fit arbitrarily small, and this fit uncertainty misses the dominant residual uncertainty due to so-called model discrepancy. Using objective Bayesian linear regression for straight-line fits for Isc, we investigate an evidence-based method to automatically choose data windows of I-V points with reduced model discrepancy. We also investigate noise effects. Uncertainties, aligned with the Guide to the Expression of Uncertainty in Measurement (GUM), are quantified throughout.« less

Quantifying and Reducing Curve-Fitting Uncertainty in Isc: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campanelli, Mark; Duck, Benjamin; Emery, Keith

Current-voltage (I-V) curve measurements of photovoltaic (PV) devices are used to determine performance parameters and to establish traceable calibration chains. Measurement standards specify localized curve fitting methods, e.g., straight-line interpolation/extrapolation of the I-V curve points near short-circuit current, Isc. By considering such fits as statistical linear regressions, uncertainties in the performance parameters are readily quantified. However, the legitimacy of such a computed uncertainty requires that the model be a valid (local) representation of the I-V curve and that the noise be sufficiently well characterized. Using more data points often has the advantage of lowering the uncertainty. However, more data pointsmore » can make the uncertainty in the fit arbitrarily small, and this fit uncertainty misses the dominant residual uncertainty due to so-called model discrepancy. Using objective Bayesian linear regression for straight-line fits for Isc, we investigate an evidence-based method to automatically choose data windows of I-V points with reduced model discrepancy. We also investigate noise effects. Uncertainties, aligned with the Guide to the Expression of Uncertainty in Measurement (GUM), are quantified throughout.« less

A spatial characterization of the Sagittarius dwarf galaxy tidal tails

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newby, Matthew; Cole, Nathan; Newberg, Heidi Jo

2013-06-01

We measure the spatial density of F turnoff stars in the Sagittarius dwarf tidal stream, from Sloan Digital Sky Survey data, using statistical photometric parallax. We find a set of continuous, consistent parameters that describe the leading Sgr stream's position, direction, and width for 15 stripes in the north Galactic cap, and three stripes in the south Galactic cap. We produce a catalog of stars that has the density characteristics of the dominant leading Sgr tidal stream that can be compared with simulations. We find that the width of the leading (north) tidal tail is consistent with recent triaxial andmore » axisymmetric halo model simulations. The density along the stream is roughly consistent with common disruption models in the north, but possibly not in the south. We explore the possibility that one or more of the dominant Sgr streams has been misidentified, and that one or more of the ''bifurcated'' pieces is the real Sgr tidal tail, but we do not reach definite conclusions. If two dwarf progenitors are assumed, fits to the planes of the dominant and ''bifurcated'' tidal tails favor an association of the Sgr dwarf spheroidal galaxy with the dominant southern stream and the ''bifurcated'' stream in the north. In the north Galactic cap, the best fit Hernquist density profile for the smooth component of the stellar halo is oblate, with a flattening parameter q = 0.53, and a scale length of r {sub 0} = 6.73. The southern data for both the tidal debris and the smooth component of the stellar halo do not match the model fits to the north, although the stellar halo is still overwhelmingly oblate. Finally, we verify that we can reproduce the parameter fits on the asynchronous MilkyWay@home volunteer computing platform.« less

Carrier-density dependence of photoluminescence from localized states in InGaN/GaN quantum wells in nanocolumns and a thin film

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shimosako, N., E-mail: n-shimosako@sophia.jp; Inose, Y.; Satoh, H.

2015-11-07

We have measured and analyzed the carrier-density dependence of photoluminescence (PL) spectra and the PL efficiency of InGaN/GaN multiple quantum wells in nanocolumns and in a thin film over a wide excitation range. The localized states parameters, such as the tailing parameter, density and size of the localized states, and the mobility edge density are estimated. The spectral change and reduction of PL efficiency are explained by filling of the localized states and population into the extended states around the mobility edge density. We have also found that the nanocolumns have a narrower distribution of the localized states and amore » higher PL efficiency than those of the film sample although the In composition of the nanocolumns is higher than that of the film.« less

EEG source localization: Sensor density and head surface coverage.

PubMed

Song, Jasmine; Davey, Colin; Poulsen, Catherine; Luu, Phan; Turovets, Sergei; Anderson, Erik; Li, Kai; Tucker, Don

2015-12-30

The accuracy of EEG source localization depends on a sufficient sampling of the surface potential field, an accurate conducting volume estimation (head model), and a suitable and well-understood inverse technique. The goal of the present study is to examine the effect of sampling density and coverage on the ability to accurately localize sources, using common linear inverse weight techniques, at different depths. Several inverse methods are examined, using the popular head conductivity. Simulation studies were employed to examine the effect of spatial sampling of the potential field at the head surface, in terms of sensor density and coverage of the inferior and superior head regions. In addition, the effects of sensor density and coverage are investigated in the source localization of epileptiform EEG. Greater sensor density improves source localization accuracy. Moreover, across all sampling density and inverse methods, adding samples on the inferior surface improves the accuracy of source estimates at all depths. More accurate source localization of EEG data can be achieved with high spatial sampling of the head surface electrodes. The most accurate source localization is obtained when the voltage surface is densely sampled over both the superior and inferior surfaces. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

The Herschel Fornax Cluster Survey - I. The bright galaxy sample

NASA Astrophysics Data System (ADS)

Davies, J. I.; Bianchi, S.; Baes, M.; Boselli, A.; Ciesla, L.; Clemens, M.; Davis, T. A.; De Looze, I.; di Serego Alighieri, S.; Fuller, C.; Fritz, J.; Hunt, L. K.; Serra, P.; Smith, M. W. L.; Verstappen, J.; Vlahakis, C.; Xilouris, E. M.; Bomans, D.; Hughes, T.; Garcia-Appadoo, D.; Madden, S.

2013-01-01

We present Herschel Space Telescope observations of the nearby Fornax cluster at 100, 160, 250, 350 and 500 μm with a spatial resolution of 7-36 arcsec (10 arcsec ≈ 1 kpc at dFornax = 17.9 Mpc). We define a sample of 11 bright galaxies, selected at 500 μm, that can be directly compared with our past work on the Virgo cluster. We check and compare our results with previous observations made by IRAS and Planck, finding good agreement. The far-infrared luminosity density is higher, by about a factor of 3, in Fornax compared to Virgo, consistent with the higher number density of galaxies. The 100 μm (42.5-122.5 μm) luminosity is two orders of magnitude larger in Fornax than in the local field as measured by IRAS. We calculate stellar (L0.4-2.5) and far-infrared (L100-500) luminosities for each galaxy and use these to estimate a mean optical depth of τ = 0.4 ± 0.1 - the same value as we previously found for Virgo cluster galaxies. For 10 of the 11 galaxies (NGC 1399 excepted), we fit a modified blackbody curve (β = 2.0) to our observed flux densities to derive dust masses and temperatures of 106.54-8.35 M⊙ and T =14.6-24.2 K, respectively, values comparable to those found for Virgo. The derived stars-to-gas(atomic) and gas(atomic)-to-dust ratios vary from 1.1-67.6 to 9.8-436.5, respectively, again broadly consistent with values for Virgo. Fornax is a mass overdensity in stars and dust of about 120 when compared to the local field (30 for Virgo). Fornax and Virgo are both a factor of 6 lower overdensities in gas(atomic) than in stars and dust indicating loss of gas, but not dust and stars, in the cluster environment. We consider in more detail two of the sample galaxies. As the brightest source in either Fornax or Virgo, NGC 1365 is also detected by Planck. The Planck data fit the PACS/SPIRE spectral energy distribution out to 1382 μm with no evidence of other sources of emission (`spinning dust', free-free, synchrotron). At the opposite end of the scale, NGC 1399 is detected only at 500 μm with the emission probably arising from the nuclear radio source rather than interstellar dust.

Non-local bias in the halo bispectrum with primordial non-Gaussianity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tellarini, Matteo; Ross, Ashley J.; Wands, David

2015-07-01

Primordial non-Gaussianity can lead to a scale-dependent bias in the density of collapsed halos relative to the underlying matter density. The galaxy power spectrum already provides constraints on local-type primordial non-Gaussianity complementary those from the cosmic microwave background (CMB), while the bispectrum contains additional shape information and has the potential to outperform CMB constraints in future. We develop the bias model for the halo density contrast in the presence of local-type primordial non-Gaussianity, deriving a bivariate expansion up to second order in terms of the local linear matter density contrast and the local gravitational potential in Lagrangian coordinates. Nonlinear evolutionmore » of the matter density introduces a non-local tidal term in the halo model. Furthermore, the presence of local-type non-Gaussianity in the Lagrangian frame leads to a novel non-local convective term in the Eulerian frame, that is proportional to the displacement field when going beyond the spherical collapse approximation. We use an extended Press-Schechter approach to evaluate the halo mass function and thus the halo bispectrum. We show that including these non-local terms in the halo bispectra can lead to corrections of up to 25% for some configurations, on large scales or at high redshift.« less

Nucleon localization and fragment formation in nuclear fission

DOE PAGES

Zhang, C. L.; Schuetrumpf, B.; Nazarewicz, W.

2016-12-27

An electron localization measure was originally introduced to characterize chemical bond structures in molecules. Recently, a nucleon localization based on Hartree-Fock densities has been introduced to investigate α-cluster structures in light nuclei. Compared to the local nucleonic densities, the nucleon localization function has been shown to be an excellent indicator of shell effects and cluster correlations. In this work, using the spatial nucleon localization measure, we investigated the emergence of fragments in fissioning heavy nuclei using the self-consistent energy density functional method with a quantified energy density functional optimized for fission studies. We studied the particle densities and spatial nucleonmore » localization distributions along the fission pathways of 264Fm, 232Th, and 240Pu. We demonstrated that the fission fragments were formed fairly early in the evolution, well before scission. To illustrate the usefulness of the localization measure, we showed how the hyperdeformed state of 232Th could be understood in terms of a quasimolecular state made of 132Sn and 100Zr fragments. Compared to nucleonic distributions, the nucleon localization function more effectively quantifies nucleonic clustering: its characteristic oscillating pattern, traced back to shell effects, is a clear fingerprint of cluster/fragment configurations. This is of particular interest for studies of fragment formation and fragment identification in fissioning nuclei.« less

A New Global Core Plasma Model of the Plasmasphere

NASA Technical Reports Server (NTRS)

Gallagher, D. L.; Comfort, R. H.; Craven, P. D.

2014-01-01

The Global Core Plasma Model (GCPM) is the first empirical model for thermal inner magnetospheric plasma designed to integrate previous models and observations into a continuous in value and gradient representation of typical total densities. New information about the plasmasphere, in particular, make possible significant improvement. The IMAGE Mission Radio Plasma Imager (RPI) has obtained the first observations of total plasma densities along magnetic field lines in the plasmasphere and polar cap. Dynamics Explorer 1 Retarding Ion Mass Spectrometer (RIMS) has provided densities in temperatures in the plasmasphere for 5 ion species. These and other works enable a new more detailed empirical model of thermal in the inner magnetosphere that will be presented. Specifically shown here are the inner-plasmasphere RIMS measurements, radial fits to densities and temperatures for H(+), He(+), He(++), O(+), and O(+) and the error associated with these initial simple fits. Also shown are more subtle dependencies on the f10.7 P-value (see Richards et al. [1994]).

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.

PubMed

Łazarski, Roman; Burow, Asbjörn Manfred; Grajciar, Lukáš; Sierka, Marek

2016-10-30

A full implementation of analytical energy gradients for molecular and periodic systems is reported in the TURBOMOLE program package within the framework of Kohn-Sham density functional theory using Gaussian-type orbitals as basis functions. Its key component is a combination of density fitting (DF) approximation and continuous fast multipole method (CFMM) that allows for an efficient calculation of the Coulomb energy gradient. For exchange-correlation part the hierarchical numerical integration scheme (Burow and Sierka, Journal of Chemical Theory and Computation 2011, 7, 3097) is extended to energy gradients. Computational efficiency and asymptotic O(N) scaling behavior of the implementation is demonstrated for various molecular and periodic model systems, with the largest unit cell of hematite containing 640 atoms and 19,072 basis functions. The overall computational effort of energy gradient is comparable to that of the Kohn-Sham matrix formation. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Analytic energy gradients for orbital-optimized MP3 and MP2.5 with the density-fitting approximation: An efficient implementation.

PubMed

Bozkaya, Uğur

2018-03-15

Efficient implementations of analytic gradients for the orbital-optimized MP3 and MP2.5 and their standard versions with the density-fitting approximation, which are denoted as DF-MP3, DF-MP2.5, DF-OMP3, and DF-OMP2.5, are presented. The DF-MP3, DF-MP2.5, DF-OMP3, and DF-OMP2.5 methods are applied to a set of alkanes and noncovalent interaction complexes to compare the computational cost with the conventional MP3, MP2.5, OMP3, and OMP2.5. Our results demonstrate that density-fitted perturbation theory (DF-MP) methods considered substantially reduce the computational cost compared to conventional MP methods. The efficiency of our DF-MP methods arise from the reduced input/output (I/O) time and the acceleration of gradient related terms, such as computations of particle density and generalized Fock matrices (PDMs and GFM), solution of the Z-vector equation, back-transformations of PDMs and GFM, and evaluation of analytic gradients in the atomic orbital basis. Further, application results show that errors introduced by the DF approach are negligible. Mean absolute errors for bond lengths of a molecular set, with the cc-pCVQZ basis set, is 0.0001-0.0002 Å. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

EVALUATING EFFECTS OF LOW QUALITY HABITATS ON REGIONAL GROWTH IN PEOMYCUS LEUCOPUS: INSIGHTS FROM FIELD-PARAMETERIZED SPATIAL MATRIX MODELS.

EPA Science Inventory

Due to complex population dynamics and source-sink metapopulation processes, animal fitness sometimes varies across landscapes in ways that cannot be deduced from simple density patterns. In this study, we examine spatial patterns in fitness using a combination of intensive fiel...

Can two H2 molecules be inserted into C60 - an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H2@C60 complex

NASA Astrophysics Data System (ADS)

Dolgonos, Grygoriy A.; Peslherbe, Gilles H.

2016-10-01

The 2H2@C60 minimum structure of C2 symmetry has been fully characterized at the density-fitting local second-order Møller-Plesset (DF-LMP2) level of theory. Its uncorrected and zero-point energy (ZPE) corrected complexation energies equal 1.9 and 6.2 kcal/mol, respectively, confirming the instability of the complex. This structure exhibits the largest intermolecular host-guest and guest-guest separations among all the complexes studied in this work. The calculated infrared spectrum of 2H2@C60 does not show any frequency shifts for the modes associated with radial or tangential displacements in C60 (except for one mode), but shows a weak red Hsbnd H vibrational frequency shift.

Nonmagnetic impurity resonances as a signature of sign-reversal pairing in FeAs-based superconductors.

PubMed

Zhang, Degang

2009-10-30

The energy band structure of FeAs-based superconductors is fitted by a tight-binding model with two Fe ions per unit cell and two degenerate orbitals per Fe ion. Based on this, superconductivity with extended s-wave pairing symmetry of the form cosk(x)+cosk(y) is examined. The local density of states near an impurity is also investigated by using the T-matrix approach. For the nonmagnetic scattering potential, we found that there exist two major resonances inside the gap. The height of the resonance peaks depends on the strength of the impurity potential. These in-gap resonances are originated in the Andreev's bound states due to the quasiparticle scattering between the hole Fermi surfaces around Gamma point with positive order parameter and the electron Fermi surfaces around M point with negative order parameter.

Efficient, adaptive estimation of two-dimensional firing rate surfaces via Gaussian process methods.

PubMed

Rad, Kamiar Rahnama; Paninski, Liam

2010-01-01

Estimating two-dimensional firing rate maps is a common problem, arising in a number of contexts: the estimation of place fields in hippocampus, the analysis of temporally nonstationary tuning curves in sensory and motor areas, the estimation of firing rates following spike-triggered covariance analyses, etc. Here we introduce methods based on Gaussian process nonparametric Bayesian techniques for estimating these two-dimensional rate maps. These techniques offer a number of advantages: the estimates may be computed efficiently, come equipped with natural errorbars, adapt their smoothness automatically to the local density and informativeness of the observed data, and permit direct fitting of the model hyperparameters (e.g., the prior smoothness of the rate map) via maximum marginal likelihood. We illustrate the method's flexibility and performance on a variety of simulated and real data.

A search for novae in M 31 globular clusters

NASA Astrophysics Data System (ADS)

Ciardullo, Robin; Tamblyn, Peter; Phillips, A. C.

1990-10-01

By combining a local sky-fitting algorithm with a Fourier point-spread-function matching technique, nova outbursts have been searched for inside 54 of the globular clusters contained on the Ciardullo et al. (1987 and 1990) H-alpha survey frames of M 31. Over a mean effective survey time of about 2.0 years, no cluster exhibited a magnitude increase indicative of a nova explosion. If the cataclysmic variables (CVs) contained within globular clusters are similar to those found in the field, then these data imply that the overdensity of CVs within globulars is at least several times less than that of the high-luminosity X-ray sources. If tidal capture is responsible for the high density of hard binaries within globulars, then the probability of capturing condensed objects inside globular clusters may depend strongly on the mass of the remnant.

Hybrid functional study of band structures of GaAs1-xNx and GaSb1-xNx alloys

NASA Astrophysics Data System (ADS)

Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

2012-02-01

Band structures of GaAs1-xNx and GaSb1-xNx alloys are studied in the framework of the density functional theory within the hybrid functional scheme (HSE06). We find that the scheme gives a clear improvement over the traditional (semi)local functionals in describing, in a qualitative agreement with experiments, the bowing of electron energy band gap in GaAs1-xNx alloys. In the case of GaSb1-xNx alloys, the hybrid functional used makes the study of band structures possible ab initio without any empirical parameter fitting. We explain the trends in the band gap reductions in the two materials that result mainly from the positions of the nitrogen-induced states with respect to the bottoms of the bulk conduction bands.

Empirical models for fitting of oral concentration time curves with and without an intravenous reference.

PubMed

Weiss, Michael

2017-06-01

Appropriate model selection is important in fitting oral concentration-time data due to the complex character of the absorption process. When IV reference data are available, the problem is the selection of an empirical input function (absorption model). In the present examples a weighted sum of inverse Gaussian density functions (IG) was found most useful. It is shown that alternative models (gamma and Weibull density) are only valid if the input function is log-concave. Furthermore, it is demonstrated for the first time that the sum of IGs model can be also applied to fit oral data directly (without IV data). In the present examples, a weighted sum of two or three IGs was sufficient. From the parameters of this function, the model-independent measures AUC and mean residence time can be calculated. It turned out that a good fit of the data in the terminal phase is essential to avoid parameter biased estimates. The time course of fractional elimination rate and the concept of log-concavity have proved as useful tools in model selection.

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures.

PubMed

McGreevy, Ryan; Singharoy, Abhishek; Li, Qufei; Zhang, Jingfen; Xu, Dong; Perozo, Eduardo; Schulten, Klaus

2014-09-01

X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is reported. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron-density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density, as tested with synthetic low-resolution maps of D-ribose-binding protein. xMDFF has been successfully applied to re-refine six low-resolution protein structures of varying sizes that had already been submitted to the Protein Data Bank. Finally, via systematic refinement of a series of data from 3.6 to 7 Å resolution, xMDFF refinements together with electrophysiology experiments were used to validate the first all-atom structure of the voltage-sensing protein Ci-VSP.

The effect of multi-channel wide dynamic range compression, noise reduction, and the directional microphone on horizontal localization performance in hearing aid wearers.

PubMed

Keidser, Gitte; Rohrseitz, Kristin; Dillon, Harvey; Hamacher, Volkmar; Carter, Lyndal; Rass, Uwe; Convery, Elizabeth

2006-10-01

This study examined the effect that signal processing strategies used in modern hearing aids, such as multi-channel WDRC, noise reduction, and directional microphones have on interaural difference cues and horizontal localization performance relative to linear, time-invariant amplification. Twelve participants were bilaterally fitted with BTE devices. Horizontal localization testing using a 360 degrees loudspeaker array and broadband pulsed pink noise was performed two weeks, and two months, post-fitting. The effect of noise reduction was measured with a constant noise present at 80 degrees azimuth. Data were analysed independently in the left/right and front/back dimension and showed that of the three signal processing strategies, directional microphones had the most significant effect on horizontal localization performance and over time. Specifically, a cardioid microphone could decrease front/back errors over time, whereas left/right errors increased when different microphones were fitted to left and right ears. Front/back confusions were generally prominent. Objective measurements of interaural differences on KEMAR explained significant shifts in left/right errors. In conclusion, there is scope for improving the sense of localization in hearing aid users.

Recognition of coarse-grained protein tertiary structure.

PubMed

Lezon, Timothy; Banavar, Jayanth R; Maritan, Amos

2004-05-15

A model of the protein backbone is considered in which each residue is characterized by the location of its C(alpha) atom and one of a discrete set of conformal (phi, psi) states. We investigate the key differences between a description that offers a locally precise fit to known backbone structures and one that provides a globally accurate fit to protein structures. Using a statistical scoring scheme and threading, a protein's local best-fit conformation is highly recognizable, but its global structure cannot be directly determined from an amino acid sequence. The incorporation of information about the conformal states of neighboring residues along the chain allows one to accurately translate the local structure into a global structure. We present a two-step algorithm, which recognizes up to 95% of the tested protein native-state structures to within a 2.5 A root mean square deviation. Copyright 2004 Wiley-Liss, Inc.

Local climatic adaptation in a widespread microorganism.

PubMed

Leducq, Jean-Baptiste; Charron, Guillaume; Samani, Pedram; Dubé, Alexandre K; Sylvester, Kayla; James, Brielle; Almeida, Pedro; Sampaio, José Paulo; Hittinger, Chris Todd; Bell, Graham; Landry, Christian R

2014-02-22

Exploring the ability of organisms to locally adapt is critical for determining the outcome of rapid climate changes, yet few studies have addressed this question in microorganisms. We investigated the role of a heterogeneous climate on adaptation of North American populations of the wild yeast Saccharomyces paradoxus. We found abundant among-strain variation for fitness components across a range of temperatures, but this variation was only partially explained by climatic variation in the distribution area. Most of fitness variation was explained by the divergence of genetically distinct groups, distributed along a north-south cline, suggesting that these groups have adapted to distinct climatic conditions. Within-group fitness components were correlated with climatic conditions, illustrating that even ubiquitous microorganisms locally adapt and harbour standing genetic variation for climate-related traits. Our results suggest that global climatic changes could lead to adaptation to new conditions within groups, or changes in their geographical distributions.

M-dwarf exoplanet surface density distribution. A log-normal fit from 0.07 to 400 AU

NASA Astrophysics Data System (ADS)

Meyer, Michael R.; Amara, Adam; Reggiani, Maddalena; Quanz, Sascha P.

2018-04-01

Aims: We fit a log-normal function to the M-dwarf orbital surface density distribution of gas giant planets, over the mass range 1-10 times that of Jupiter, from 0.07 to 400 AU. Methods: We used a Markov chain Monte Carlo approach to explore the likelihoods of various parameter values consistent with point estimates of the data given our assumed functional form. Results: This fit is consistent with radial velocity, microlensing, and direct-imaging observations, is well-motivated from theoretical and phenomenological points of view, and predicts results of future surveys. We present probability distributions for each parameter and a maximum likelihood estimate solution. Conclusions: We suggest that this function makes more physical sense than other widely used functions, and we explore the implications of our results on the design of future exoplanet surveys.

A statistical analysis of UK financial networks

NASA Astrophysics Data System (ADS)

Chu, J.; Nadarajah, S.

2017-04-01

In recent years, with a growing interest in big or large datasets, there has been a rise in the application of large graphs and networks to financial big data. Much of this research has focused on the construction and analysis of the network structure of stock markets, based on the relationships between stock prices. Motivated by Boginski et al. (2005), who studied the characteristics of a network structure of the US stock market, we construct network graphs of the UK stock market using same method. We fit four distributions to the degree density of the vertices from these graphs, the Pareto I, Fréchet, lognormal, and generalised Pareto distributions, and assess the goodness of fit. Our results show that the degree density of the complements of the market graphs, constructed using a negative threshold value close to zero, can be fitted well with the Fréchet and lognormal distributions.

Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition.

PubMed

Čársky, Petr; Čurík, Roman; Varga, Štefan

2012-03-21

The objective of this paper is to show that the density fitting (resolution of the identity approximation) can also be applied to Coulomb integrals of the type (k(1)(1)k(2)(1)|g(1)(2)g(2)(2)), where k and g symbols refer to plane-wave functions and gaussians, respectively. We have shown how to achieve the accuracy of these integrals that is needed in wave-function MO and density functional theory-type calculations using mixed Gaussian and plane-wave basis sets. The crucial issues for achieving such a high accuracy are application of constraints for conservation of the number electrons and components of the dipole moment, optimization of the auxiliary basis set, and elimination of round-off errors in the matrix inversion. © 2012 American Institute of Physics

Self-Interaction Error in Density Functional Theory: An Appraisal.

PubMed

Bao, Junwei Lucas; Gagliardi, Laura; Truhlar, Donald G

2018-05-03

Self-interaction error (SIE) is considered to be one of the major sources of error in most approximate exchange-correlation functionals for Kohn-Sham density-functional theory (KS-DFT), and it is large with all local exchange-correlation functionals and with some hybrid functionals. In this work, we consider systems conventionally considered to be dominated by SIE. For these systems, we demonstrate that by using multiconfiguration pair-density functional theory (MC-PDFT), the error of a translated local density-functional approximation is significantly reduced (by a factor of 3) when using an MCSCF density and on-top density, as compared to using KS-DFT with the parent functional; the error in MC-PDFT with local on-top functionals is even lower than the error in some popular KS-DFT hybrid functionals. Density-functional theory, either in MC-PDFT form with local on-top functionals or in KS-DFT form with some functionals having 50% or more nonlocal exchange, has smaller errors for SIE-prone systems than does CASSCF, which has no SIE.

High-resolution rovibrational study of the Coriolis-coupled v 12 and v 15 modes of [1.1.1]propellane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kirkpatrick, Robynne W; Masiello, Tony; Jariyasopit, Narumol

Infrared spectra of the small strained cage molecule [1.1.1]propellane have been obtained at high resolution (0.0015 cm -1) and the J and K, l rovibrational structure has been resolved for the first time. We recently used combination-differences to obtain ground state parameters for propellane; over 4,100 differences from five fundamental and four combination bands were used in this process. The combination-difference approach eliminated errors due to localized perturbations in the upper state levels of the transitions and gave well-determined ground state parameters. In the current work, these ground state parameters were used in a determination of the upper state parametersmore » for the v 12(e') perpendicular and v 15(a 2") parallel bands. Over 4000 infrared transitions were fitted for each band, with J, K values ranging up to 71, 51 and 92, 90 respectively. While the transition frequencies for both bands can be fit nicely using separate analyses for each band, the strong intensity perturbations observed in the weaker v 12 band indicated that Coriolis coupling between the two modes was significant and should be included. Due to correlations with other parameters, the Coriolis coupling parameter ζ y 15,12a for the v 15 and v 12 interaction is poorly determined by a transition frequency fit alone. However, by combining the frequency fit with a fit of experimental intensities, a value of -0.42 was obtained, quite close to that predicted from the ab initio calculation (-0.44). This intensity fit also yielded a (∂μ z/∂Q 15)/(∂μ x/∂Q 12a) dipole derivative ratio of 36.5, in reasonable agreement with a value of 29.2 predicted by Gaussian ab initio density functional calculations using a cc-pVTZ basis. This ratio is unusually high due to large charge movement as the novel central Caxial-Caxial bond is displaced along the symmetry axis of the molecule for the v 15 mode.« less

FOLD-EM: automated fold recognition in medium- and low-resolution (4-15 Å) electron density maps.

PubMed

Saha, Mitul; Morais, Marc C

2012-12-15

Owing to the size and complexity of large multi-component biological assemblies, the most tractable approach to determining their atomic structure is often to fit high-resolution radiographic or nuclear magnetic resonance structures of isolated components into lower resolution electron density maps of the larger assembly obtained using cryo-electron microscopy (cryo-EM). This hybrid approach to structure determination requires that an atomic resolution structure of each component, or a suitable homolog, is available. If neither is available, then the amount of structural information regarding that component is limited by the resolution of the cryo-EM map. However, even if a suitable homolog cannot be identified using sequence analysis, a search for structural homologs should still be performed because structural homology often persists throughout evolution even when sequence homology is undetectable, As macromolecules can often be described as a collection of independently folded domains, one way of searching for structural homologs would be to systematically fit representative domain structures from a protein domain database into the medium/low resolution cryo-EM map and return the best fits. Taken together, the best fitting non-overlapping structures would constitute a 'mosaic' backbone model of the assembly that could aid map interpretation and illuminate biological function. Using the computational principles of the Scale-Invariant Feature Transform (SIFT), we have developed FOLD-EM-a computational tool that can identify folded macromolecular domains in medium to low resolution (4-15 Å) electron density maps and return a model of the constituent polypeptides in a fully automated fashion. As a by-product, FOLD-EM can also do flexible multi-domain fitting that may provide insight into conformational changes that occur in macromolecular assemblies.

The effect of implant design and bone quality on insertion torque, resonance frequency analysis, and insertion energy during implant placement in low or low- to medium-density bone.

PubMed

Wang, Tong-Mei; Lee, Ming-Shu; Wang, Juo-Song; Lin, Li-Deh

2015-01-01

This study investigated the effect of implant design and bone quality on insertion torque (IT), implant stability quotient (ISQ), and insertion energy (IE) by monitoring the continuous change in IT and ISQ while implants were inserted in artificial bone blocks that simulate bone of poor or poor-to-medium quality. Polyurethane foam blocks (Sawbones) of 0.16 g/cm³ and 0.32 g/cm³ were respectively used to simulate low density and low- to medium-density cancellous bone. In addition, some test blocks were laminated with a 1-mm 0.80 g/cm³ polyurethane layer to simulate cancellous bone with a thin cortical layer. Four different implants (Nobel Biocare Mk III-3.75, Mk III-4.0, Mk IV-4.0, and NobelActive-4.3) were placed into the different test blocks in accordance with the manufacturer's instructions. The IT and ISQ were recorded at every 0.5-mm of inserted length during implant insertion, and IE was calculated from the torque curve. The peak IT (PIT), final IT (FIT), IE, and final ISQ values were statistically analyzed. All implants showed increasing ISQ values when the implant was inserted more deeply. In contrast to the ISQ, implants with different designs showed dissimilar IT curve patterns during the insertion. All implants showed a significant increase in the PIT, FIT, IE, and ISQ when the test-block density increased or when the 1-mm laminated layer was present. Tapered implants showed FIT or PIT values of more than 40 Ncm for all of the laminated test blocks and for the nonlaminated test blocks of low to medium density. Parallel-wall implants did not exhibit PIT or FIT values of more than 40 Ncm for all of the test blocks. NobelActive-4.3 showed a significantly higher FIT, but a significantly lower IE, than Mk IV-4.0. While the existence of cortical bone or implant designs significantly affects the dynamic IT profiles during implant insertion, it does not affect the ISQ to a similar extent. Certain implant designs are more suitable than others if high IT is required in bone of poor quality. The manner in which IT, IE, and ISQ represent the implant primary stability requires further study.

Dual Approach To Superquantile Estimation And Applications To Density Fitting

DTIC Science & Technology

2016-06-01

incorporate additional constraints to improve the fidelity of density estimates in tail regions. We limit our investigation to data with heavy tails, where...samples of various heavy -tailed distributions. 14. SUBJECT TERMS probability density estimation, epi-splines, optimization, risk quantification...limit our investigation to data with heavy tails, where risk quantification is typically the most difficult. Demonstrations are provided in the form of

Using Satellite Radio-Sounding Data to Investigate Variations in the Earth's Topside Ionosphere Electron Density Profiles in the Polar Regions

NASA Astrophysics Data System (ADS)

Detweiler, L. G.; Glocer, A.; Benson, R. F.; Fung, S. F.

2016-12-01

In order to investigate and understand the role that different drivers play on the electron density altitude profile in the topside ionosphere of the polar regions, we used satellite radio-sounding data collected during the 1960s, 1970s, and 1980s to construct a series of graphs of electron density as a function of altitude and solar zenith angle. These data were gathered by the swept-frequency topside sounders from four of the satellites from the International Satellites for Ionospheric Studies (ISIS) program: Alouette 1 and 2, and ISIS 1 and 2, and were obtained from the NASA Space Physics Data Facility. In order to control for phenomenon known to effect electron density, we restricted our data set to data collected during a specific DST range (between -10 and 40 nT), and roughly constant solar radio flux values (between 40 and 90 W*m-2*Hz-1). To look at the effect of electron precipitation, we examine two separate cases, one above an invariant latitude of 60°, which includes precipitation, and one above 75°, which excludes precipitation. Under these restrictions we gathered a total of 407,500 altitude, solar zenith angle, and electron density data pairs. We then sorted these data pairs into bins of altitude and solar zenith angle, and present graphs of the medians of these binned data. We then fit our binned data to an exponential function representing hydrostatic equilibrium in the ionosphere presented in Kitamura et. al [2011]. We present graphs which show how well this best fit equation fits our data. Our results clearly show the strong dependence of electron density with respect to solar zenith angle, and demonstrates that electron precipitation can also influence the electron density profile, particularly on the nightside. We also examine how seasonal effects, via differences in the neutral thermosphere, can affect the electron density profiles. This study provides a climatological picture of what drives the topside electron density profile in the polar regions, and could be useful in future studies for model validation.

Regulation of Egr-1, VIP, and Shh mRNA and Egr-1 protein in the mouse retina by light and image quality.

PubMed

Brand, Christine; Burkhardt, Eva; Schaeffel, Frank; Choi, Jeong Won; Feldkaemper, Marita Pauline

2005-04-28

To analyze mRNA expression changes of Egr-1, VIP, and Shh under different light and treatment conditions in mice. The mRNA expression levels of the three genes and additionally the Egr-1 protein expression were compared in form deprived eyes and eyes with normal vision. Moreover, the influence of dark to light and light to dark transitions and of changes in retinal illumination on mRNA levels was investigated. Form deprivation of mice was induced by fitting frosted diffusers over one eye and an attentuation matched neutral density (ND) filter over the other eye. To measure the effects of retinal illumination changes on mRNA expression, animals were bilaterally fitted with different ND filters. Semiquantitative real-time RT-PCR was used to measure the mRNA levels and immunohistochemistry was applied to localize and detect Egr-1 protein. The expression levels of both Egr-1 mRNA and protein were reduced in form deprived eyes compared to their fellow eyes after 30 min and 1 h, respectively. Egr-1 mRNA was strikingly upregulated both after dark to light and light to dark transitions, whereas minor changes in retinal illumination by covering the eyes with neutral density filters did not alter Egr-1 mRNA expression. In mice, the mRNA levels of VIP and Shh were not affected by form deprivation, but they were found to be regulated depending on the time of day. Both Egr-1 mRNA and protein expression levels were strongly regulated by light, especially by transitions between light and darkness. Image contrast may exert an additional influence on mRNA and protein expression of Egr-1, particularly in the cells in the ganglion cell layer and in bipolar cells.

A DFT study on the enthalpies of thermite reactions and enthalpies of formation of metal composite oxide

NASA Astrophysics Data System (ADS)

Zhang, Yu-ying; Wang, Meng-jie; Chang, Chun-ran; Xu, Kang-zhen; Ma, Hai-xia; Zhao, Feng-qi

2018-05-01

The standard thermite reaction enthalpies (ΔrHmθ) for seven metal oxides were theoretically analyzed using density functional theory (DFT) under five different functional levels, and the results were compared with experimental values. Through the comparison of the linear fitting constants, mean error and root mean square error, the Perdew-Wang functional within the framework of local density approximation (LDA-PWC) and Perdew-Burke-Ernzerhof exchange-correlation functional within the framework of generalized gradient approximation (GGA-PBE) were selected to further calculate the thermite reaction enthalpies for metal composite oxides (MCOs). According to the Kirchhoff formula, the standard molar reaction enthalpies for these MCOs were obtained and their standard molar enthalpies of formation (ΔfHmθ) were finally calculated. The results indicated that GGA-PBE is the most suitable one out of the total five methods to calculate these oxides. Tungstate crystals present the maximum deviation of the enthalpies of thermite reactions for MCOs and these of their physical metal oxide mixtures, but ferrite crystals are the minimum. The correlation coefficients are all above 0.95, meaning linear fitting results are very precise. And the molar enthalpies of formation for NiMoO4, CuMoO4, PbZrO3 (Pm/3m), PbZrO3 (PBA2), PbZrO3 (PBam), MgZrO3, CdZrO3, MnZrO3, CuWO4 and Fe2WO6 were first obtained as -1078.75, -1058.45, -1343.87, -1266.54, -1342.29, -1333.03, -1210.43, -1388.05, -1131.07 and - 1860.11 kJ·mol-1, respectively.

IN VITRO QUANTIFICATION OF THE SIZE DISTRIBUTION OF INTRASACCULAR VOIDS LEFT AFTER ENDOVASCULAR COILING OF CEREBRAL ANEURYSMS.

PubMed

Sadasivan, Chander; Brownstein, Jeremy; Patel, Bhumika; Dholakia, Ronak; Santore, Joseph; Al-Mufti, Fawaz; Puig, Enrique; Rakian, Audrey; Fernandez-Prada, Kenneth D; Elhammady, Mohamed S; Farhat, Hamad; Fiorella, David J; Woo, Henry H; Aziz-Sultan, Mohammad A; Lieber, Baruch B

2013-03-01

Endovascular coiling of cerebral aneurysms remains limited by coil compaction and associated recanalization. Recent coil designs which effect higher packing densities may be far from optimal because hemodynamic forces causing compaction are not well understood since detailed data regarding the location and distribution of coil masses are unavailable. We present an in vitro methodology to characterize coil masses deployed within aneurysms by quantifying intra-aneurysmal void spaces. Eight identical aneurysms were packed with coils by both balloon- and stent-assist techniques. The samples were embedded, sequentially sectioned and imaged. Empty spaces between the coils were numerically filled with circles (2D) in the planar images and with spheres (3D) in the three-dimensional composite images. The 2D and 3D void size histograms were analyzed for local variations and by fitting theoretical probability distribution functions. Balloon-assist packing densities (31±2%) were lower ( p =0.04) than the stent-assist group (40±7%). The maximum and average 2D and 3D void sizes were higher ( p =0.03 to 0.05) in the balloon-assist group as compared to the stent-assist group. None of the void size histograms were normally distributed; theoretical probability distribution fits suggest that the histograms are most probably exponentially distributed with decay constants of 6-10 mm. Significant ( p <=0.001 to p =0.03) spatial trends were noted with the void sizes but correlation coefficients were generally low (absolute r <=0.35). The methodology we present can provide valuable input data for numerical calculations of hemodynamic forces impinging on intra-aneurysmal coil masses and be used to compare and optimize coil configurations as well as coiling techniques.

The Properties of Faint Field Galaxies

NASA Astrophysics Data System (ADS)

Driver, Simon. P.

1994-12-01

One of the current drawbacks of Charge Coupled Devices (CCDs) is their restrictive fields of view. The Hitchhiker CCD camera overcomes this limitation by operating in parallel with existing instrumentation and is able to cover a large area as well as large volumes. Hitchhiker is mounted on the 4.2m William Herschel Telescope and has been operating for two years. The first use of the Hitchhiker data set has been to study the general properties of faint galaxies. The observed trend of how the differential numbers of galaxies vary with magnitude agrees extremely well with those of other groups and covers, for the first time, all four major optical bandpasses. This multi-band capability has also allowed the study of how the colors of galaxies change with magnitude and how the correlation of galaxies on the sky varies between the optical bandpasses. A dwarf dominated model has been developed to explain these observations and challenges our knowledge of the space-density of dwarf galaxies. The model demonstrates that a simple upward turn in the luminosity distribution of galaxies, similar to that observed in clusters, would remain undetected by the field surveys yet can explain many of the observations without recourse to non-passive galaxy evolution. The conclusion is that the field luminosity distribution is not constrained at faint absolute magnitudes. A combination of a high density of dwarf galaxies and mild evolution could explain all the observations. Continuing work with HST and the Medium Deep Survey Team now reveals the morphological mix of galaxies down to mI ~ 24.0. The results confirm that ellipticals and early-type spirals are well fitted by standard no-evolution models whilst the late-type spirals can only be fitted by strong evolution and/or a significant turn-up in the local field LF.

Constraining UV Continuum Slopes of Active Galactic Nuclei with CLOUDY Models of Broad-line Region Extreme-ultraviolet Emission Lines

NASA Astrophysics Data System (ADS)

Moloney, Joshua; Shull, J. Michael

2014-10-01

Understanding the composition and structure of the broad-line region (BLR) of active galactic nuclei (AGNs) is important for answering many outstanding questions in supermassive black hole evolution, galaxy evolution, and ionization of the intergalactic medium. We used single-epoch UV spectra from the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope to measure EUV emission-line fluxes from four individual AGNs with 0.49 <= z <= 0.64, two AGNs with 0.32 <= z <= 0.40, and a composite of 159 AGNs. With the CLOUDY photoionization code, we calculated emission-line fluxes from BLR clouds with a range of density, hydrogen ionizing flux, and incident continuum spectral indices. The photoionization grids were fit to the observations using single-component and locally optimally emitting cloud (LOC) models. The LOC models provide good fits to the measured fluxes, while the single-component models do not. The UV spectral indices preferred by our LOC models are consistent with those measured from COS spectra. EUV emission lines such as N IV λ765, O II λ833, and O III λ834 originate primarily from gas with electron temperatures between 37,000 K and 55,000 K. This gas is found in BLR clouds with high hydrogen densities (n H >= 1012 cm-3) and hydrogen ionizing photon fluxes (ΦH >= 1022 cm-2 s-1). Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Science Institute. STScI is operated by the Association of Universities for Research in Astronomy, Inc. under NASA contract NAS5-26555.