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NASA NTRS1990

Localized basis functions and other computational improvements in variational nonorthogonal basis function methods for quantum mechanical scattering problems involving chemical reactions

The Generalized Newton Variational Principle for 3D quantum mechanical reactive scattering is briefly reviewed. Then three techniques are described which improve the efficiency of the computations. First, the fact that the Hamiltonian is Hermitian is used to reduce the number of integrals computed, and then the properties of localized basis functions are exploited in order to eliminate redundant work in the integral evaluation. A new type of localized basis function with desirable properties is suggested. It is shown how partitioned matrices can be used with localized basis functions to reduce the amount of work required to handle the complex boundary conditions. The new techniques do not introduce any approximations into the calculations, so they may be used to obtain converged solutions of the Schroedinger equation.

Schwenke, David W.↗

NASA NTRS2001

Spectroscopic Determination of the Physical Conditions in Hot, Optically Thin Sources

This annual report covers the period from Oct 1, 2000 to Sep 30, 2001. The Astrophysics Plasma Emission Code and Database (APEC/APED), developed in part under this grant, have been upgraded to Version 1.1 and are now beginning to be used outside our research group in applications to X-ray spectral data from Chandra and XMM-Newton. These models represent the best theoretical data currently available and are reasonably complete below about 30 angstroms. Stellar coronae are being used to benchmark the atomic data in APED as part of the Emission Line Project. Initial results suggest that the models for most of the strongest lines are in good agreement with the observations, including the H-like and He-like emission from dominant elements and the Fe L shell emission, both near 1 keV and in the extreme ultraviolet near 100 eV. At this point in time, we define 'good agreement' at the level of accuracy expected from the atomic physics, approximately 20-30%. In order to benchmark the spectral models beyond the canonical theoretical accuracy, we are working closely with the Chandra gratings calibration group to ensure that we are using the optimal calibration, primarily effective areas and line response functions.

Brickhouse, N.↗

NASA NTRS1990

Simulation of capacitor charging power supplies

By neglecting losses and other nonidealities, the authors were able to derive a simple single-loop equivalent circuit for each mode of operation of the series resonant converter. From these equivalent circuits, a good approximation of the current and voltages within the converter was obtained, despite the simplified approach taken. It is pointed out that designers of capacitor charging power supplies can utilize this approach in deciding what type of control strategy is needed to obtain a desired characteristic. Once the basic topology of the power supply has been determined, a detailed simulation could be implemented using one of the general-purpose software packages available.

Newton, S. R.↗

NASA NTRS2002

An XMM-Newton Observation of the Lagoon Nebula and the Very Young Open Cluster NGC 6530

We report the results of an XMM-Newton observation of the Lagoon Nebula (M 8). Our EPIC images of this region reveal a cluster of point sources, most of which have optical counterparts inside the very young open cluster NGC 6530. The bulk of these X-ray sources are probably associated with low and intermediate mass pre-main sequence stars. One of the sources experiences a flare-like increase of its X-ray flux making it the second brightest source in M 8 after the O4 star 9 Sgr. The X-ray spectra of most of the brightest sources can be fitted with thermal plasma models with temperatures of kT approximately a few keV. Only a few of the X-ray selected PMS candidates are known to display H(alpha) emission and were previously classified as classical T Tauri stars. This suggests that most of the X-ray emitting PMS stars in NGC 6530 are weak line T Tauri stars. In addition to 9 Sgr, our EPIC field of view contains also a few early-type stars. The X-ray emission from HD 164816 is found to be typical for an O9.5III-IV star. At least one of the known Herbig Be stars in NGC 6530 (LkH(alpha) 115) exhibits a relatively strong X-ray emission, while most of the main sequence stars of spectral type B1 and later are not detected. We also detect (probably) diffuse X-ray emission from the Hourglass Region that might reveal a hot bubble blown by the stellar wind of Herschel 36, the ionizing star of the Hourglass Region.

Rauw, G.↗

NASA NTRS2019

Manufacturing Process Development for Adhesively Bonded Joints in Large-Scale Space Structures

In order to take full advantage of the weight savings and performance gains offered by the use of composite materials in large-scale space structures, adhesively bonded joints must be considered. While bonded joint manufacturing at laboratory scale can be straightforward, the same manufacturing processes are not trivial at full scale. Surface preparation becomes particularly challenging (a viable process must yield consistent results over a large application area and be repeatable for multiple application sites), as does the application of heat to cure the doublers and/or bond them to the primary structure (the nature and scale of assembled or partially assembled aerospace structures often necessitates an out-of-oven/out-of-autoclave approach). In this work, bonded joint manufacturing processes are adapted for a full-scale (approximately 30 feet in diameter at the aft end) composite payload adapter at the NASA Marshall Space Flight Center. By iterating across a range of variables, process parameters for adhesively bonded joints on a large-scale composite structure have been developed. Primary findings are presented with respect to overarching bonded joint manufacturing concepts so as to maximize the applicability of this work to similar material systems and structures.

Guin, William E.↗

DOE OSTI2023

Towards Full ‘Galilei General Relativity’: Bargmann-Minkowski and Bargmann-Galilei Spacetimes

Galilei-Newton spacetime $\mathbb{G}$ with its Galilei group can be understood as a `degeneration' as $c \rightarrow \infty$ of Minkowski spacetime $\mathbb{M}$ with its Poincar\'e group. $\mathbb{G}$ does not have a spacetime metric and its Galilei symmetry transformations do not include energy; but Bargmann-Galilei spacetime $B\mathbb{G}$, a 5-dimensional extension that preserves Galilei physics, remedies these infelicities. Here an analogous Bargmann-Minkowski spacetime $B\mathbb{M}$ is described. While not necessary for Poincar\'e physics, it may illuminate a path towards a more extensive `Galilei general relativity' than is presently known, which would be a useful---and conceptually and mathematically sound---approximation in astrophysical scenarios such as core-collapse supernovae.

Cardall, Christian↗

NASA NTRS2011

Evidence for Black Hole Growth in Local Analogs to Lyman Break Galaxies

We have used XMM-Newton to observe six Lyman break analogs (LBAs): members of the rare population of local galaxies that have properties that are very similar to distant Lyman break galaxies. Our six targets were specifically selected because they have optical emission-line properties that are intermediate between starbursts and Type 2 (obscured) active galactic nuclei (AGNs). Our new X-ray data provide an important diagnostic of the presence of an AGN. We find X-ray luminosities of order 10(sup 42) erg per second and ratios of X-ray to far-IR lummositles that are higher than values in pure starburst galaxies by factors ranging from approximately 3 to 30. This strongly suggests the presence of an AGN in at least some of the galaxies. The ratios of the luminosities of the hard (2-10 keV) X-ray to [O III] emission line are low by about an order of magnitude compared with Type 1 AGN, but are consistent with the broad range seen in Type 2 AGN. Either the AGN hard X-rays are significantly obscured or the [O III] emission is dominated by the starburst. We searched for an iron emission line at approximately 6.4 ke V, which is a key feature of obscured AGNs, but only detected emission at the approximately 2sigma level. Finally, we find that the ratios of the mid-infrared (24 micrometer) continuum to [O III]lambda 5007 luminosities in these LBAs are higher than the values for Type 2 AGN by an average of 0.8 dex. Combining all these clues, we conclude that an AGN is likely to be present, but that the bolometric luminosity is produced primarily by an intense starburst. If these black holes are radiating at the Eddington limit, their masses would lie in the range of 10(sup 5) - 10(sup 6) solar mass. These objects may offer ideal local laboratories to investigate the processes by which black holes grew in the early universe.

Jia, Jianjun↗

NASA NTRS2015

The Multi-Layer Variable Absorbers in NGC 1365 Revealed by XMM-Newton and NuSTAR

Between 2012 July and 2013 February, NuSTAR and XMM-Newton performed four long-look joint observations of the type 1.8 Seyfert, NGC 1365. We have analyzed the variable absorption seen in these observations in order to characterize the geometry of the absorbing material. Two of the observations caught NGC 1365 in an unusually low absorption state, revealing complexity in the multi-layer absorber that had previously been hidden. We find the need for three distinct zones of neutral absorption in addition to the two zones of ionized absorption and the Compton-thick torus previously seen in this source. The most prominent absorber is likely associated with broad-line region clouds with column densities of around approximately 10 (sup 23) per square centimeter and a highly clumpy nature as evidenced by an occultation event in 2013 February. We also find evidence of a patchy absorber with a variable column around approximately 10 (sup 22) per square centimeter and a line-of-sight covering fraction of 0.3-0.9, which responds directly to the intrinsic source flux, possibly due to a wind geometry. A full-covering, constant absorber with a low column density of approximately 1 by 10 (sup 22) per square centimeter is also present, though the location of this low density haze is unknown.

galaxies: active aEuro" galaxies: individual (NGC ↗

NASA NTRS2000

The XMM-Newton View of Stellar Coronae: High-Resolution X-Ray Spectroscopy of Capella

We present the high-resolution RGS spectrum of the bright stellar binary Capella observed by the XMM-Newton satellite. A multi-thermal approach has been applied to fit the data and derive elemental abundances. The differential emission measure distribution is reconstructed using a Chebychev polynomial fit. The DEM shape is found to display a sharp peak around 7 MK, consistent with previous EUVE and ASCA results. A small but significant amount of emission measure is required around 1.8 MK in order to explain the O VII He-like triplet and the C VI Ly(alpha) line. Using the sensitivity to temperature of dielectronic recombination lines from O VI around 22 A, we confirm that the cool plasma temperature needs to be higher than 1.2 MK. In the approximation of a cool plasma described by one temperature, we used line ratios from the forbidden, intercombination, and resonance lines of the O VII triplet and derived an average density for the cool coronal plasma at the low density limit. A tentative study of line ratios from the M XI triplet gives an average temperature close to the sharp peak in emission measure and an average density of the order of 10(exp 12)cu cm, three orders of magnitude higher than for O VII. Implications for the coronal physics of Capella are discussed. We complement this paper with a discussion of the importance of the atomic code uncertainties on the spectral fitting procedure.

Audard, M.↗

NASA NTRS2004

Spectroscopy of the Perseus Cluster

We present preliminary results of a XMM-Newton 50 ks observation of the Perseus Cluster that provides an unprecedented view of the central 0.5 Mpc region. The projected gas temperature declines smoothly by a factor of 2 from a maximum value of approx. 7 keV in the outer regions to just above 3 keV at the cluster center. Over this same range, the heavy-element abundance rises slowly from 0.4 to 0.5 solar as the radius decreases from 14 ft. to 5 ft., and then it rises to a peak of almost 0.7 solar at 1&farcm;25 before declining to 0.4 at the center. Th global east-west asymmetry of the gas temperature and surface brightness distributions, approximately aligned with the chain of bright galaxies, suggests an ongoing merger, although the modest degree of the observed asymmetry certainly excludes a major merger interpretation. The chain of galaxies probably traces the filament along which accretion started some time ago and is continuing at the present time. A cold and dense (low-entropy) cluster core like Perseus is probably well "protected" against the penetration of the gas of infalling groups and poor clusters, whereas in non-cooling core clusters such as Coma and A1367, infalling subclusters can penetrate deeply into the core region. In Perseus, gas associated with infalling groups may be stripped completely at the outskirts of the main cluster and only compression waves (shocks) may reach the central regions. We argue, and show supporting simulations, that the passage of such a wave(s) can qualitatively explain the overall horseshoe shaped appearance of the gas temperature map (the hot horseshoe surrounds the colder, low-entropy core) as well as other features of the Perseus Cluster core. These simulations also show that as compression waves traverse the cluster core, they can induce oscillatory motion of the cluster gas that can generate multiple sharp "edges" on opposite sides of the central galaxy. Gas motions induced by mergers may be a natural way to explain the high frequency of "edges" seen in clusters with cooling cores.

Jones, Christine↗

NASA NTRS1993

A general rough-surface inversion algorithm: Theory and application to SAR data

Rough-surface inversion has significant applications in interpretation of SAR data obtained over bare soil surfaces and agricultural lands. Due to the sparsity of data and the large pixel size in SAR applications, it is not feasible to carry out inversions based on numerical scattering models. The alternative is to use parameter estimation techniques based on approximate analytical or empirical models. Hence, there are two issues to be addressed, namely, what model to choose and what estimation algorithm to apply. Here, a small perturbation model (SPM) is used to express the backscattering coefficients of the rough surface in terms of three surface parameters. The algorithm used to estimate these parameters is based on a nonlinear least-squares criterion. The least-squares optimization methods are widely used in estimation theory, but the distinguishing factor for SAR applications is incorporating the stochastic nature of both the unknown parameters and the data into formulation, which will be discussed in detail. The algorithm is tested with synthetic data, and several Newton-type least-squares minimization methods are discussed to compare their convergence characteristics. Finally, the algorithm is applied to multifrequency polarimetric SAR data obtained over some bare soil and agricultural fields. Results will be shown and compared to ground-truth measurements obtained from these areas. The strength of this general approach to inversion of SAR data is that it can be easily modified for use with any scattering model without changing any of the inversion steps. Note also that, for the same reason it is not limited to inversion of rough surfaces, and can be applied to any parameterized scattering process.

Moghaddam, M.↗

NASA NTRS2010

The Abundance Pattern in the Hot ISM of NGC 4472: Insights and Anomalies

Important clues to the chemical and dynamical history of elliptical galaxies are encoded in the abundances of heavy elements in the X-ray emitting plasma. We derive the hot ISM abundance pattern in inner (0.2.3R(sub e)) and outer (2.3.4.6R(sub e)) regions of NGC 4472 from analysis of Suzaku spectra, supported by analysis of co- spatial XMM-Newton spectra. The low background and relatively sharp spectral resolution of the Suzaku XIS detectors, combined with the high luminosity and temperature in NGC 4472, enable us to derive a particularly extensive abundance pattern that encompasses O, Ne, Mg, Al, Si, S, Ar, Ca, Fe, and Ni in both regions. We apply simple chemical evolution models to these data, and conclude that the abundances are best explained by a combination of alpha-element enhanced stellar mass loss and direct injection of Type Ia supernova (SNIa) ejecta. We thus confirm the inference, based on optical data, that the stars in elliptical galaxies have supersolar [alpha/Fe] ratios, but find that that the present-day SNIa rate is approximately 4.6 times lower than the standard value. We find SNIa yield sets that reproduce Ca and Ar, or Ni, but not all three simultaneously. The low abundance of O relative to Ne and Mg implies that standard core collapse nucleosynthesis models overproduce O by approximately 2.

Loewenstein, Michael↗

DOE OSTI2023

Accelerating full-waveform inversion using source stacking: synthetic experiments at the global scale in a realistic 3-D earth model

SUMMARY The spectral element method is currently the method of choice for computing accurate synthetic seismic wavefields in realistic 3-D earth models at the global scale. However, it requires significantly more computational time, compared to normal mode-based approximate methods. Source stacking, whereby multiple earthquake sources are aligned on their origin time and simultaneously triggered, can reduce the computational costs by several orders of magnitude. We present the results of synthetic tests performed on a realistic radially anisotropic 3-D model, slightly modified from model SEMUCB-WM1 with three component synthetic waveform ‘data’ for a duration of 10 000 s, and filtered at periods longer than 60 s, for a set of 273 events and 515 stations. We consider two definitions of the misfit function, one based on the stacked records at individual stations and another based on station-pair cross-correlations of the stacked records. The inverse step is performed using a Gauss–Newton approach where the gradient and Hessian are computed using normal mode perturbation theory. We investigate the retrieval of radially anisotropic long wavelength structure in the upper mantle in the depth range 100–800 km, after fixing the crust and uppermost mantle structure constrained by fundamental mode Love and Rayleigh wave dispersion data. The results show good performance using both definitions of the misfit function, even in the presence of realistic noise, with degraded amplitudes of lateral variations in the anisotropic parameter ξ. Interestingly, we show that we can retrieve the long wavelength structure in the upper mantle, when considering one or the other of three portions of the cross-correlation time series, corresponding to where we expect the energy from surface wave overtone, fundamental mode or a mixture of the two to be dominant, respectively. We also considered the issue of missing data, by randomly removing a successively larger proportion of the available synthetic data. We replace the missing data by synthetics computed in the current 3-D model using normal mode perturbation theory. The inversion results degrade with the proportion of missing data, especially for ξ, and we find that a data availability of 45 per cent or more leads to acceptable results. We also present a strategy for grouping events and stations to minimize the number of missing data in each group. This leads to an increased number of computations but can be significantly more efficient than conventional single-event-at-a-time inversion. We apply the grouping strategy to a real picking scenario, and show promising resolution capability despite the use of fewer waveforms and uneven ray path distribution. Source stacking approach can be used to rapidly obtain a starting 3-D model for more conventional full-waveform inversion at higher resolution, and to investigate assumptions made in the inversion, such as trade-offs between isotropic, anisotropic or anelastic structure, different model parametrizations or how crustal structure is accounted for.

Geochemistry & Geophysics↗

DOE OSTI2024

Continued performance improvement and integration of MOOSE's thermal-hydraulics capabilities (M3 Milestone Report)

This work introduces performance, robustness and workflow improvements to Multiphysics Object-Oriented Simulation Environment (MOOSE)-based thermal-hydraulics solvers. It presents work related to the acceleration of segregated fluid dynamics algorithms, which show approximately a factor of 10 speedup compared to the preceding implementation. Additionally, we discuss approaches to use advanced, Schurr complement-based, field split preconditioners for monolithic solution algorithms relying on the finite volume method. The presence of the Rhie-Chow interpolation makes the utilization of this preconditioner challenging, but the results indicate that for a moderately large problem a factor of 3.4 speedup can be achieved in conjunction with a factor of 3.5 reduction in memory usage. Furthermore, we introduce several pseudo-time stepping approaches to MOOSE for the robust convergence to steady-state solutions when steady-state solves don't converge due to the initial guesses being too far from the solution in Newton's method. Every MOOSE-based application has access this algorithm and can benefit from its use. Moreover, several new avenues have been presented for importing meshes from commercial software which make meshing easier. Lastly, the Component system within the Thermal-Hydraulics Module (THM) of MOOSE is abstracted by separating geometry- and physics-related properties.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Development of an hp-version finite element method for computational optimal control

The purpose of this research effort was to begin the study of the application of hp-version finite elements to the numerical solution of optimal control problems. Under NAG-939, the hybrid MACSYMA/FORTRAN code GENCODE was developed which utilized h-version finite elements to successfully approximate solutions to a wide class of optimal control problems. In that code the means for improvement of the solution was the refinement of the time-discretization mesh. With the extension to hp-version finite elements, the degrees of freedom include both nodal values and extra interior values associated with the unknown states, co-states, and controls, the number of which depends on the order of the shape functions in each element. One possible drawback is the increased computational effort within each element required in implementing hp-version finite elements. We are trying to determine whether this computational effort is sufficiently offset by the reduction in the number of time elements used and improved Newton-Raphson convergence so as to be useful in solving optimal control problems in real time. Because certain of the element interior unknowns can be eliminated at the element level by solving a small set of nonlinear algebraic equations in which the nodal values are taken as given, the scheme may turn out to be especially powerful in a parallel computing environment. A different processor could be assigned to each element. The number of processors, strictly speaking, is not required to be any larger than the number of sub-regions which are free of discontinuities of any kind.

Hodges, Dewey H.↗

NASA NTRS1989

Theory of wide-angle photometry from standard stars

Wide angle celestial structures, such as bright comet tails and nearby galaxies and clusters of galaxies, rely on photographic methods for quantified morphology and photometry, primarily because electronic devices with comparable resolution and sky coverage are beyond current technological capability. The problem of the photometry of extended structures and of how this problem may be overcome through calibration by photometric standard stars is examined. The perfect properties of the ideal field of view are stated in the guise of a radiometric paraxial approximation, in the hope that fields of view of actual telescopes will conform. Fundamental radiometric concepts are worked through before the issue of atmospheric attenuation is addressed. The independence of observed atmospheric extinction and surface brightness leads off the quest for formal solutions to the problem of surface photometry. Methods and problems of solution are discussed. The spectre is confronted in the spirit of standard stars and shown to be chimerical in that light, provided certain rituals are adopted. After a brief discussion of Baker-Sampson polynomials and the vexing issue of saturation, a pursuit is made of actual numbers to be expected in real cases. While the numbers crunched are gathered ex nihilo, they demonstrate the feasibility of Newton's method in the solution of this overdetermined, nonlinear, least square, multiparametric, photometric problem.

Usher, Peter D.↗

NASA NTRS2014

On the Nature of the Hard X-Ray Sources SWIFT J1907.3-2050, IGR J12123-5802 and IGR J19552+0044

The INTEGRAL and Swift hard X-ray surveys have identified a large number of new sources, among which many are proposed as Cataclysmic Variables (CVs). Here we present the first detailed study of three X-ray selected CVs, Swift J1907.3-2050, IGRJ12123-5802, and IGRJ19552+0044 based on XMM-Newton, Suzaku, Swift observations and ground based optical and archival nIR/IR data. Swift J1907.3-2050 is highly variable from hours to monthsyears at all wavelengths. No coherent X-ray pulses are detected but rather transient features. The X-ray spectrum reveals a multi-temperature optically thin plasma absorbed by complex neutral material and a soft black body component arising from a small area. These characteristics are remarkably similar to those observed in magnetic CVs. A supra-solar abundance of nitrogen could arise from nuclear processed material from the donor star. Swift J1907.3-2050 could be a peculiar magnetic CV with the second longest (20.82 h) binary period. IGRJ12123-5802 is variable in the X-rays on a timescale of approximately or greater than 7.6 h. No coherent pulsations are detected, but its spectral characteristics suggest that it could be a magnetic CV of the Intermediate Polar (IP) type. IGRJ19552+0044 shows two X-ray periods, approximately 1.38 h and approximately 1.69 h and a X-ray spectrum characterized by a multi-temperature plasma with little absorption.We derive a low accretion rate, consistent with a CV below the orbital period gap. Its peculiar nIR/IR spectrum suggests a contribution from cyclotron emission. It could either be a pre-polar or an IP with the lowest degree of asynchronism.

X-ray Sources↗

NASA NTRS2013

An Archival Chandra and XMM-Newton Survey of Type 2 Quasars

In order to investigate obscuration in high-luminosity type 2 active galactic nuclei (AGNs), we analyzed Chandra and XMM-Newton archival observations for 71 type 2 quasars detected at 0.05 < z < 0.73, which were selected based on their [O III] lambda5007 emission lines. For 54 objects with good spectral fits, the observed hard X-ray luminosity ranges from 2 × 10(exp 41) to 5.3 × 10(exp 44) erg s(exp −1), with a median of 1.1 × 10(exp 43) erg s(exp −1). We find that the means of the column density and photon index of our sample are log N(sub H) = 22.9 cm(exp −2) and gamma = 1.87, respectively. From simulations using a more physically realistic model, we find that the absorbing column density estimates based on simple power-law models significantly underestimate the actual absorption in approximately half of the sources. Eleven sources show a prominent Fe K alpha emission line (EW>100 eV in the rest frame) and we detect this line in the other sources through a joint fit (spectral stacking). The correlation between the Fe K alpha and [O III] fluxes and the inverse correlation of the equivalent width of the Fe Kα line with the ratio of hard X-ray and [O III] fluxes is consistent with previous results for lower luminosity Seyfert 2 galaxies. We conclude that obscuration is the cause of the weak hard X-ray emission rather than intrinsically low X-ray luminosities. We find that about half of the population of optically selected type 2 quasars are likely to be Compton thick. We also find no evidence that the amount of X-ray obscuration depends on the AGN luminosity (over a range of more than three orders of magnitude in luminosity).

quasars: general↗