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DOE OSTI2014

MAGIC long-term study of the distant TeV blazar PKS 1424+240 in a multiwavelength context

Aims. We present a study of the very high energy (VHE; E>100 GeV) γ-ray emission of the blazar PKS 1424+240 observed with the MAGIC telescopes. The primary aim of this paper is the multiwavelength spectral characterization and modeling of this blazar, which is made particularly interesting by the recent discovery of a lower limit of its redshift of z ≥ 0.6 and makes it a promising candidate to be the most distant VHE source. Methods. The source has been observed with the MAGIC telescopes in VHE rays for a total observation time of ~33.6 h from 2009 to 2011. A detailed analysis of its γ-ray spectrum and time evolution has been carried out. Moreover, we have collected and analyzed simultaneous and quasi-simultaneous multiwavelength data. Results. The source was marginally detected in VHE rays during 2009 and 2010, and later, the detection was confirmed during an optical outburst in 2011. The combined significance of the stacked sample is ~7.2σ. The differential spectra measured during the different campaigns can be described by steep power laws with the indices ranging from 3.5 ± 1.2 to 5.0 ± 1.7. The MAGIC spectra corrected for the absorption due to the extragalactic background light connect smoothly, within systematic errors, with the mean spectrum in 2009-2011 observed at lower energies by the Fermi-LAT. The absorption-corrected MAGIC spectrum is flat with no apparent turn down up to 400 GeV. The multiwavelength light curve shows increasing flux in radio and optical bands that could point to a common origin from the same region of the jet. The large separation between the two peaks of the constructed non-simultaneous spectral energy distribution also requires an extremely high Doppler factor if an one zone synchrotron self-Compton model is applied. We find that a two-component synchrotron self-Compton model describes the spectral energy distribution of the source well, if the source is located at z ~ 0.6.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A robust approach to Gaussian process implementation

Abstract. Gaussian process (GP) regression is a flexible modeling technique used to predict outputs and to capture uncertainty in the predictions. However, the GP regression process becomes computationally intensive when the training spatial dataset has a large number of observations. To address this challenge, we introduce a scalable GP algorithm, termed MuyGPs, which incorporates nearest-neighbor and leave-one-out cross-validation during training. This approach enables the evaluation of large spatial datasets with state-of-the-art accuracy and speed in certain spatial problems. Despite these advantages, conventional quadratic loss functions used in the MuyGPs optimization, such as root mean squared error (RMSE), are highly influenced by outliers. We explore the behavior of MuyGPs in cases involving outlying observations and, subsequently, develop a robust approach to handle and mitigate their impact. Specifically, we introduce a novel leave-one-out loss function based on the pseudo-Huber function (LOOPH) that effectively accounts for outliers in large spatial datasets within the MuyGPs framework. Our simulation study shows that the LOOPH loss method maintains accuracy despite outlying observations, establishing MuyGPs as a powerful tool for mitigating unusual observation impacts in the large data regime. In the analysis of US ozone data, MuyGPs provides accurate predictions and uncertainty quantification, demonstrating its utility in managing data anomalies. Through these efforts, we advance the understanding of GP regression in spatial contexts.

Mukangango, Juliette↗

DOE OSTI2023

PYOED: AN ETENSIBLE SUITE FOR DATA ASSIMILATION AND MODEL-CONSTRAINED OPTIMAL DESIGN OF EXPERIMENTS

SF-23-005 PyOED is a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit for model-constrained OED. The package targets scientists and researchers interested in understanding the details of OED formulations and approaches. It is also meant to enable researchers to experiment with standard and innovative OED technologies with a wide range of test problems (e.g., simulation models). OED, inverse problems (e.g., Bayesian inversion), and data assimilation (DA) are closely related research fields, and their formulations overlap significantly. Thus, PyOED is continuously being expanded with a plethora of Bayesian inversion, DA, and OED methods as well as new scientific simulation models, observation error models, and observation operators. These pieces are added such that they can be permuted to enable testing OED methods in various settings of varying complexities. The PyOED core is completely written in Python and utilizes the inherent object-oriented capabilities; however, PyOED is meant to be extensible rather than scalable. Specifically, PyOED is developed to ``enable rapid development and benchmarking of OED methods with minimal coding effort and to maximize code reutilization.'' PyOED will be continuously expanded with a plethora of Bayesian inversion, DA, and OED methods as well as new scientific simulation models, observation error models, and observation operators.

ATTIA, AHMEDMOHAMED↗

DOE OSTI2020

Roadmap on multiscale materials modeling

Modeling and simulation is transforming modern materials science, becoming an important tool for the discovery of new materials and material phenomena, for gaining insight into the processes that govern materials behavior, and, increasingly, for quantitative predictions that can be used as part of a design tool in full partnership with experimental synthesis and characterization. Modeling and simulation is the essential bridge from good science to good engineering, spanning from fundamental understanding of materials behavior to deliberate design of new materials technologies leveraging new properties and processes. This Roadmap presents a broad overview of the extensive impact computational modeling has had in materials science in the past few decades, and offers focused perspectives on where the path forward lies as this rapidly expanding field evolves to meet the challenges of the next few decades. The Roadmap offers perspectives on advances within disciplines as diverse as phase field methods to model mesoscale behavior and molecular dynamics methods to deduce the fundamental atomic-scale dynamical processes governing materials response, to the challenges involved in the interdisciplinary research that tackles complex materials problems where the governing phenomena span different scales of materials behavior requiring multiscale approaches. The shift from understanding fundamental materials behavior to development of quantitative approaches to explain and predict experimental observations requires advances in the methods and practice in simulations for reproducibility and reliability, and interacting with a computational ecosystem that integrates new theory development, innovative applications, and an increasingly integrated software and computational infrastructure that takes advantage of the increasingly powerful computational methods and computing hardware.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Effect of aluminum substitution on structural and electromagnetic properties of nanocrystalline MgCuMn ferrites

The effect of substitution of nonmagnetic Al{sup 3+} ions on the structural and electromagnetic properties were studied in nanocrystalline ferrite series of Mg{sub 0.8}Cu{sub 0.2}Al{sub x}Fe{sub 1.95-x}Mn{sub 0.05}O{sub 4} where x varies 0-0.4 in steps of 0.1. This series was synthesized by using microwave hydrothermal method. The nanocrystalline ferrite phase was observed at temperature 150°C/40 min. Synthesized powders were characterized using X-ray diffraction (XRD) and transmission electron microscopy (TEM). The synthesized powders were densified using microwave sintering method at 950°C/40 min. The sintered samples were characterized using XRD. Surface morphology was observed by using field effective scanning electron microscopy (FESEM). The electrical and magnetic properties were measured at room temperature. These results led us to interfere that the values of d.c resistivity increases and dielectric constant, initial permeability, saturation magnetization and Curie temperature were observed to be decreased with the substitution of Al{sup 3+} ions with those of Fe{sup 3+}. The low dielectric and magnetic losses and low magnetization exhibited by aluminum substituted MgCuMn ferrites makes them find applications in microwave devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2021

First Observations from the SPICE EUV Spectrometer on Solar Orbiter

Aims. We present first science observations taken during the commissioning activities of the Spectral Imaging of the Coronal Environment (SPICE) instrument on the ESA/NASA Solar Orbiter mission. SPICE is a high-resolution imaging spectrometer operating at extreme ultraviolet (EUV) wavelengths. In this paper we illustrate the possible types of observations to give prospective users a better understanding of the science capabilities of SPICE. Methods. We have reviewed the data obtained by SPICE between April and June 2020 and selected representative results obtained with different slits and a range of exposure times between 5 s and 180 s. Standard instrumental corrections have been applied to the raw data. Results. The paper discusses the first observations of the Sun on different targets and presents an example of the full spectra from the quiet Sun, identifying over 40 spectral lines from neutral hydrogen and ions of carbon, oxygen, nitrogen, neon, sulphur, magnesium, and iron. These lines cover the temperature range between 20,000 K and 1 million K (10MK in flares), providing slices of the Sun’s atmosphere in narrow temperature intervals. We provide a list of count rates for the 23 brightest spectral lines. We show examples of raster images of the quiet Sun in several strong transition region lines, where we have found unusually bright, compact structures in the quiet Sun network, with extreme intensities up to 25 times greater than the average intensity across the image. The lifetimes of these structures can exceed 2.5 hours. We identify them as a transition region signature of coronal bright points and compare their areas and intensity enhancements. We also show the first above-limb measurements with SPICE above the polar limb in C III,O VI, and Ne VIII lines, and far off limb measurements in the equatorial plane in Mg IX, Ne VIII, and O VI lines. We discuss the potential to use abundance diagnostics methods to study the variability of the elemental composition that can be compared with in situ measurements to help confirm the magnetic connection between the spacecraft location and the Sun’s surface, and locate the sources of the solar wind. Conclusions. The SPICE instrument successfully performs measurements of EUV spectra and raster images that will make vital contributions to the scientific success of the Solar Orbiter mission

Sun: UV radiation↗

NASA NTRS2020

Amazonia Disasters: Assessing Methods for Gold Mining-related Deforestation Detection in Amazonia Using NASA Earth Observations

Artisanal and small-scale gold mining (ASGM) is responsible for a large fraction of deforestation and disturbance in Amazonia. These activities cause severe impacts on the rainforest ecosystem and socioeconomic state of the region. NASA DEVELOP partnered with the Asociación para la Conservación de la Cuenca Amazónica (ACCA), NASA SERVIR Science Coordination Office, and the Spatial Informatics Group to enhance ASGM-related deforestation detection methods. ACCA currently uses the Omnibus Q-test Change Point Detection Algorithm to identify changes in Synthetic Aperture Radar (SAR) monthly-aggregated temporal data from the Sentinel-1 satellite. The team determined the algorithm's accuracy by comparing a stratified random sample of change points against data from January 2019 to June 2020 identified using PlanetScope and Landsat 8 Operational Land Imager (OLI) Earth observations through Collect Earth Online. Our results indicated a users' accuracy of 55% for temporal change detection and producer's and user's accuracies of 99% and 97%, respectively, for detecting when change did not occur. Of the labeled change points, only 19% were due to mining activity. This research can help our partners have a more accurate understanding of where illegal gold mining may be taking place and inform decisions to remediate this activity.

DEVELOP Project Summary↗

NASA NTRS2020

Amazonia Disasters: Assessing Methods for Gold Mining-Related Deforestation Detection in Amazonia Using NASA Earth Observations

DEVELOP Tech Paper↗

NASA NTRS2013

Monte Carlo Bayesian Inference on a Statistical Model of Sub-gridcolumn Moisture Variability Using High-resolution Cloud Observations : Sensitivity Tests and Results - Part II

Part I presented a Monte Carlo Bayesian method for constraining a complex statistical model of GCM sub-gridcolumn moisture variability using high-resolution MODIS cloud data, thereby permitting large-scale model parameter estimation and cloud data assimilation. This part performs some basic testing of this new approach, verifying that it does indeed significantly reduce mean and standard deviation biases with respect to the assimilated MODIS cloud optical depth, brightness temperature and cloud top pressure, and that it also improves the simulated rotational-Ramman scattering cloud optical centroid pressure (OCP) against independent (non-assimilated) retrievals from the OMI instrument. Of particular interest, the Monte Carlo method does show skill in the especially difficult case where the background state is clear but cloudy observations exist. In traditional linearized data assimilation methods, a subsaturated background cannot produce clouds via any infinitesimal equilibrium perturbation, but the Monte Carlo approach allows finite jumps into regions of non-zero cloud probability. In the example provided, the method is able to restore marine stratocumulus near the Californian coast where the background state has a clear swath. This paper also examines a number of algorithmic and physical sensitivities of the new method and provides guidance for its cost-effective implementation. One obvious difficulty for the method, and other cloud data assimilation methods as well, is the lack of information content in the cloud observables on cloud vertical structure, beyond cloud top pressure and optical thickness, thus necessitating strong dependence on the background vertical moisture structure. It is found that a simple flow-dependent correlation modification due to Riishojgaard (1998) provides some help in this respect, by better honoring inversion structures in the background state.

Monte Carlo Bayesian inference↗

DOE OSTI2017

Pseudo-automatic Determination of Coronal Mass Ejections’ Kinematics in 3D

Coronal mass ejection (CME) events are among the main drivers of geomagnetic disturbances, and hence play a central role in the Sun–Earth system. Their monitoring and, in particular, the determination of their speed and direction of propagation are key issues for the forecasting of space weather near to Earth. We have implemented a method to track CME events in three dimensions by combining triangulation and tie-pointing analysis with a supervised computer vision algorithm. This novel approach does not rely on any geometric constraint, and eliminates the need for visual identification of the CME boundaries. We applied our method to 17 CME events observed simultaneously by the twin Solar Terrestrial Relations Observatory ( STEREO ) COR2 coronagraph imagers from 2008 December to 2011 November in order to obtain their 3D kinematical characterization (i.e., the velocity vector) along with their morphological properties. About ten of these events have already been analyzed using other methodologies. In these cases, we carried out a thorough comparison with our results and found that, in spite of the different nature and spatial coverage range of the other methods with respect to CORSET3D, the majority of the results agree. We found, however, that three events exhibited discrepancies in the magnitude of the velocity vector, four in the longitudinal direction of propagation, and in only one case was there a discrepancy in latitude. The discrepancies appeared in those cases where quasi-simultaneous, quasi-co-located events were observed in the coronagraphs’ fields of view.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Structural, electrical and magnetic properties of (Bi{sub 0.9}RE{sub 0.1})(Fe{sub 0.97}Co{sub 0.03})O{sub 3} (RE = Nd and Gd) thin films

Highlights: • Nd–Co and Gd–Co codoped BiFeO{sub 3} thin films are synthesized by chemical solution deposition method. • Enhanced magnetic property is observed in BGFC thin film at room temperature. • The onset electric field of FN tunneling of the films is associated with band gaps. • Both ferromagnetism and diamagnetism coexist in the BNFC film. - Abstract: Rhombohedral (Bi{sub 0.9}RE{sub 0.1})(Fe{sub 0.97}Co{sub 0.03})O{sub 3} (RE = Nd and Gd) thin films were deposited on FTO substrates by using a chemical solution deposition method. Raman scattering spectra reveal that the BiFeO{sub 3} lattices are able to incorporate Nd/Gd and Co ions with no effect on the basic rhombohedral structure. The chemical shift of Bi 4f, Fe 2p and O 1s core levels of the films is investigated by the X-ray photoelectron spectroscopy (XPS) analysis. The presence of defects in the films has been estimated through XPS study, which has a great effect on the dielectric dispersion and ferroelectric polarization. The intrinsic density of free electrons associated with band gap is the dominating factor which controls the FN tunneling conductance mechanism of the films. Both ferromagnetism and diamagnetism coexist in the BNFC film, while only ferromagnetism is observed in the BGFC film.

36 MATERIALS SCIENCE↗

DOE OSTI2018

An algorithm to correct saturated mass spectrometry ion abundances for enhanced quantitation and mass accuracy in omic studies

The mass accuracy and peak intensity of ions detected by mass spectrometry (MS) measurements are essential to facilitate compound identification and quantitation. However, high concentration species can easily cause problems if their ion intensities reach beyond the limits of the detection system, leading to distorted and non-ideal detector response (e.g. saturation), and largely precluding the calculation of accurate m/z and intensity values. Here we present an open source computational method to correct peaks above a defined intensity (saturated) threshold determined by the MS instrumentation such as the analog-to-digital converters or time-to-digital converters used in conjunction with time-of-flight MS. In this method, the isotopic envelope for each observed ion above the saturation threshold is compared to its expected theoretical isotopic distribution. The most intense isotopic peak for which saturation does not occur is then utilized to re-calculate the precursor m/z and correct the intensity, resulting in both higher mass accuracy and greater dynamic range. The benefits of this approach were evaluated with proteomic and lipidomic datasets of varying complexities. After correcting the high concentration species, reduced mass errors and enhanced dynamic range were observed for both simple and complex omic samples. Specifically, the mass error dropped by more than 50% in most cases with highly saturated species and dynamic range increased by 1-2 orders of magnitude for peptides in a blood serum sample.

Environmental Molecular Sciences Laboratory↗

NASA NTRS1987

Carbon Dioxide Observational Platform System (CO-OPS), feasibility study

The Carbon Dioxide Observational Platform System (CO-OPS) is a near-space, geostationary, multi-user, unmanned microwave powered monitoring platform system. This systems engineering feasibility study addressed identified existing requirements such as: carbon dioxide observational data requirements, communications requirements, and eye-in-the-sky requirements of other groups like the Defense Department, the Forestry Service, and the Coast Guard. In addition, potential applications in: earth system science, space system sciences, and test and verification (satellite sensors and data management techniques) were considered. The eleven month effort is summarized. Past work and methods of gathering the required observational data were assessed and rough-order-of magnitude cost estimates have shown the CO-OPS system to be most cost effective (less than $30 million within a 10 year lifetime). It was also concluded that there are no technical, schedule, or obstacles that would prevent achieving the objectives of the total 5-year CO-OPS program.

Bouquet, D. L.↗

DOE OSTI2016

The chemical homogeneity of open clusters

Determining the level of chemical homogeneity in open clusters is of fundamental importance in the study of the evolution of star-forming clouds and that of the Galactic disk. Yet limiting the initial abundance spread in clusters has been hampered by difficulties in obtaining consistent spectroscopic abundances for different stellar types. Without reference to any specific model of stellar photospheres, a model for a homogeneous cluster is that it forms a one-dimensional sequence, with any differences between members due to variations in stellar mass and observational uncertainties. I present a novel method for investigating the abundance spread in open clusters that tests this one-dimensional hypothesis at the level of observed stellar spectra, rather than constraining homogeneity using derived abundances as is traditionally done. Using high-resolution APOGEE spectra for 49 giants in M67, NGC 6819, and NGC 2420 I demonstrate that these spectra form one-dimensional sequences for each cluster. With detailed forward modeling of the spectra and Approximate Bayesian Computation, I derive strong limits on the initial abundance spread of 15 elements: <0.01 (0.02) dex for C and Fe, ≲0.015 (0.03) dex for N, O, Mg, Si, and Ni, ≲0.02 (0.03) dex for Al, Ca, and Mn, and ≲0.03 (0.05) dex for Na, S, K, Ti, and V (at 68% and 95% confidence, respectively). The strong limits on C and O imply that no pollution by massive core-collapse supernovae occurred during star formation in open clusters, which, thus, need to form within ≲6 Myr. Further development of this and related techniques will bring the power of differential abundances to stars other than solar twins in large spectroscopic surveys and will help unravel the history of star formation and chemical enrichment in the Milky Way through chemical tagging.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Measurement and modeling of the multi-wavelength optical properties ofuncoated flame-generated soot

Abstract. Optical properties of flame-generated black carbon (BC) containing soot particles were quantified at multiple wavelengths for particles produced using two different flames, a methane diffusion flame and an ethylene premixed flame. Measurements were made for: (i) nascent soot particles, (ii) thermally denuded nascent particles, and (iii) particles that were coated then thermally denuded, leading to collapse of the initially lacy, fractal-like morphology. The measured mass absorption coefficients (MAC) depended on soot maturity and generation, but were similar between flames for similar conditions. For mature soot, here corresponding to particles with volume-equivalent diameters > ~ 160 nm, the MAC and absorption Angstrom exponent values were independent of particle collapse while the single scatter albedo increased. The MAC values for these larger particles were also size-independent. Effective, theory-specific complex refractive index ( RI ) values are derived from the observations with two widely-used methods: Lorenz-Mie theory and the Rayleigh-Debye-Gans (RDG) approximation. Mie theory systematically under-predicts the observed absorption cross-sections at all wavelengths for larger particles (with x > 0.9) independent of the complex RI used, while RDG provides good agreement. Importantly, this implies that the use of Mie theory within air quality and climate models, as is common, likely leads to under-predictions in the absorption by BC, with the extent of under-prediction depending on the assumed BC size distribution and complex RI used. We suggest that it is more appropriate to assume a constant, size-independent (but wavelength-specific) MAC to represent absorption by uncoated BC particles within models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1983

Spectroscopic measurements of solar wind generation

Spectroscopically observable quantities are described which are sensitive to the primary plasma parameters of the solar wind's source region. The method is discussed in which those observable quantities are used as constraints in the construction of empirical models of various coronal structures. Simulated observations are used to examine the fractional contributions to observed spectral intensities from coronal structures of interest which co-exist with other coronal structures along simulated lines-of-sight. The sensitivity of spectroscopic observables to the physical parameters within each of those structures is discussed.

Kohl, J. L.↗

NASA NTRS2003

Quad-Tree Visual-Calculus Analysis of Satellite Coverage

An improved method of analysis of coverage of areas of the Earth by a constellation of radio-communication or scientific-observation satellites has been developed. This method is intended to supplant an older method in which the global-coverage-analysis problem is solved from a ground-to-satellite perspective. The present method provides for rapid and efficient analysis. This method is derived from a satellite-to-ground perspective and involves a unique combination of two techniques for multiresolution representation of map features on the surface of a sphere.

Lo, Martin W.↗

NASA NTRS1987

Nimbus 7 earth radiation budget wide field of view climate data set improvement. I - The earth albedo from deconvolution of shortwave measurements

A deconvolution method for extracting the top of the atmosphere (TOA) mean, daily albedo field from a set of wide-FOV (WFOV) shortwave radiometer measurements is proposed. The method is based on constructing a synthetic measurement for each satellite observation. The albedo field is represented as a truncated series of spherical harmonic functions, and these linear equations are presented. Simulation studies were conducted to determine the sensitivity of the method. It is observed that a maximum of about 289 pieces of data can be extracted from a set of Nimbus 7 WFOV satellite measurements. The albedos derived using the deconvolution method are compared with albedos derived using the WFOV archival method; the developed albedo field achieved a 20 percent reduction in the global rms regional reflected flux density errors. The deconvolution method is applied to estimate the mean, daily average TOA albedo field for January 1983. A strong and extensive albedo maximum (0.42), which corresponds to the El Nino/Southern Oscillation event of 1982-1983, is detected over the south central Pacific Ocean.

Hucek, Richard R.↗