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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Cultural Artifact Detection in Long Wave Infrared Imagery.

Detection of cultural artifacts from airborne remotely sensed data is an important task in the context of on-site inspections. Airborne artifact detection can reduce the size of the search area the ground based inspection team must visit, thereby improving the efficiency of the inspection process. This report details two algorithms for detection of cultural artifacts in aerial long wave infrared imagery. The first algorithm creates an explicit model for cultural artifacts, and finds data that fits the model. The second algorithm creates a model of the background and finds data that does not fit the model. Both algorithms are applied to orthomosaic imagery generated as part of the MSFE13 data collection campaign under the spectral technology evaluation project.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

WE-AB-207B-10: On Spinal Nerve Toxicity from Single-Session SAbR in Pigs and the Translation of Small Animal NTCP Models

Purpose: The incidence of peripheral neuropathy has risen with increased utilization of SAbR. There is no consensus regarding the dose-tolerance of the peripheral nervous system. In 2015, we commenced an investigation to test the hypotheses that single-session irradiation to the pig spinal nerves exhibit a similar dose-tolerance as that of the spinal cord and that a dose-length effect exists. This work evaluates the direct application of small animal NTCP models to both large animal spinal cord and preliminary peripheral nerve data. Methods: To date, 16 of 25 Yucatan minipigs have received single-session SAbR to a 1.5cm length and 4 of 25 have received irradiation to a 0.5cm length of left-sided C6-C8 spinal nerves. Toxicity related gait change has been observed in 13 animals (9 from the long length group and 4 from the short). This preliminary data is overlaid on several dose-response models which have been fit to rodent spinal cord tolerance experiments. Model parameters define a toxicity profile between a completely serial or parallel behaving organ. Adequacy of model application, including how length effects are handled, to published minipig spinal cord dose-response data and to preliminary peripheral nerve response data was evaluated through residual analysis. Results: No rodent-derived dose-response models were directly applicable to all pig data for the different lengths irradiated. Several models fit the long-length irradiated spinal cord data well, with the more serial-like models fitting best. Preliminary data on the short-length irradiation suggests no length effect exists, disproving our hypothesis. Conclusion: Direct application of small-animal NTCP models to pig data suggests dose-length effect predictions from small animal data may not translate clinically. However, the small animal models used have not considered dose heterogeneity and it is expected that including the low-to-mid dose levels in the penumbral region will improve this match. This work was funded by the Cancer Prevention Research Institute of Texas (CPRIT).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Comparative modeling reveals the molecular determinants of aneuploidy fitness cost in a wild yeast model

Although implicated as deleterious in many organisms, aneuploidy can underlie rapid phenotypic evolution. However, aneuploidy will be maintained only if the benefit outweighs the cost, which remains incompletely understood. To quantify this cost and the molecular determinants behind it, we generated a panel of chromosome duplications in Saccharomyces cerevisiae and applied comparative modeling and molecular validation to understand aneuploidy toxicity. We show that 74%–94% of the variance in aneuploid strains’ growth rates is explained by the cumulative cost of genes on each chromosome, measured for single-gene duplications using a genomic library, along with the deleterious contribution of small nucleolar RNAs (snoRNAs) and beneficial effects of tRNAs. Machine learning to identify properties of detrimental gene duplicates provided no support for the balance hypothesis of aneuploidy toxicity and instead identified gene length as the best predictor of toxicity. Our results present a generalized framework for the cost of aneuploidy with implications for disease biology and evolution.

genic load↗
DOE OSTI2023

Integrating AlphaFold and deep learning for atomistic interpretation of cryo-EM maps

Abstract Interpretation of cryo-electron microscopy (cryo-EM) maps requires building and fitting 3D atomic models of biological molecules. AlphaFold-predicted models generate initial 3D coordinates; however, model inaccuracy and conformational heterogeneity often necessitate labor-intensive manual model building and fitting into cryo-EM maps. In this work, we designed a protein model-building workflow, which combines a deep-learning cryo-EM map feature enhancement tool, CryoFEM (Cryo-EM Feature Enhancement Model) and AlphaFold. A benchmark test using 36 cryo-EM maps shows that CryoFEM achieves state-of-the-art performance in optimizing the Fourier Shell Correlations between the maps and the ground truth models. Furthermore, in a subset of 17 datasets where the initial AlphaFold predictions are less accurate, the workflow significantly improves their model accuracy. Our work demonstrates that the integration of modern deep learning image enhancement and AlphaFold may lead to automated model building and fitting for the atomistic interpretation of cryo-EM maps.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Theoretical justification for heat flux limiter 0.15

In this section, we describe a semi-nonlocal kinetic model for the electron heat flux. The model has no free parameters. It takes the more physically motivated approach of placing a limiter on the perturbation to the electron distribution function, rather than the usual ad-hoc limiter on the heat flux. If the kinetic model is fitted by a heat flux limiter model, we find that the higher value of f e = 0.15 is a much closer fit than other models with f e ≃ 0.02.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

OPTICAL SPECTROSCOPY OF SDSS J004054.65-0915268: THREE POSSIBLE SCENARIOS FOR THE CLASSIFICATION. A z ∼ 5 BL LACERTAE, A BLUE FSRQ, OR A WEAK EMISSION LINE QUASAR

The haunt of high-redshift BL Lacerate objects is day by day more compelling to firmly understand their intrinsic nature and evolution. SDSS J004054.65-0915268 is, at the moment, one of the most distant BL Lac candidates, at z ∼ 5. We present a new optical-near-IR spectrum obtained with ALFOSC-NOT with a new, custom designed dispersive grating aimed to detect broad emission lines that could disprove this classification. In the obtained spectra, we do not detect any emission features and we provide an upper limit to the luminosity of the C iv broad emission line. Therefore, the nature of the object is then discussed, building the overall spectral energy distribution (SED) and fitting it with three different models. Our fits, based on SED modeling with different possible scenarios, cannot rule out the possibility that this source is indeed a BL Lac object, though the absence of optical variability and the lack of strong radio flux seem to suggest that the observed optical emission originates from a thermalized accretion disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Training material models using gradient descent algorithms

High temperature design requires accurate constitutive models to describe material inelastic deformation and failure behavior. Oftentimes, calibrating accurate models devolves into the problem of fitting the model parameters against experimental test data. Here, we present the pyopmat package, an open source framework for calibrating constitutive models against experiment data subjected to various loading conditions using machine learning techniques. The package calculates the exact gradient of the model response with respect to the parameters using a combination of automatic differentiation and the adjoint method. Given this exact gradient, we compare the performance of several gradient-based optimization techniques in fitting realistic constitutive models against data. Here, we demonstrate the efficiency and accuracy of our package through example problems using both synthetic data, generated using known parameter sets, under monotonic and cyclic loading conditions and also with an example applying the techniques developed here to actual high temperature creep-fatigue test data.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ML Pipeline (Machine Learning Pipeline) [SWR-22-35]

The Machine Learning Pipeline (ML Pipeline) allows the user to fit a model to predict a dependent variable, y, based on a feature set, X. ML Pipeline gives the ability to automatically generate features with its Feature Engineering function, automatically select the most important features with its Feature Selection function, fit the model with its Fit function, and evaluate the model with its Evaluate function. ML Pipeline's functionality can not only help the user predict values for the desired variable it also gives the user a better understanding of which features are important and how effective the model is. ML Pipeline accomplishes all this, while remaining simple to use and interpret.

Schiek, Andrew↗
DOE OSTI2011

THE ATACAMA COSMOLOGY TELESCOPE: COSMOLOGICAL PARAMETERS FROM THE 2008 POWER SPECTRUM

We present cosmological parameters derived from the angular power spectrum of the cosmic microwave background (CMB) radiation observed at 148 GHz and 218 GHz over 296 deg{sup 2} with the Atacama Cosmology Telescope (ACT) during its 2008 season. ACT measures fluctuations at scales 500 < l < 10, 000. We fit a model for the lensed CMB, Sunyaev-Zel'dovich (SZ), and foreground contribution to the 148 GHz and 218 GHz power spectra, including thermal and kinetic SZ, Poisson power from radio and infrared point sources, and clustered power from infrared point sources. At l = 3000, about half the power at 148 GHz comes from primary CMB after masking bright radio sources. The power from thermal and kinetic SZ is estimated to be B{sub 3000} = 6.8 {+-} 2.9 {mu}K{sup 2}, where B{sub l}{identical_to}l(l + 1)C{sub l}/2{pi}. The IR Poisson power at 148 GHz is B{sub 3000} = 7.8 {+-} 0.7 {mu}K{sup 2} (C{sub l} = 5.5 {+-} 0.5 nK{sup 2}), and a clustered IR component is required with B{sub 3000} = 4.6 {+-} 0.9 {mu}K{sup 2}, assuming an analytic model for its power spectrum shape. At 218 GHz only about 15% of the power, approximately 27 {mu}K{sup 2}, is CMB anisotropy at l = 3000. The remaining 85% is attributed to IR sources (approximately 50% Poisson and 35% clustered), with spectral index {alpha} = 3.69 {+-} 0.14 for flux scaling as S({nu}){proportional_to}{nu}{sup {alpha}}. We estimate primary cosmological parameters from the less contaminated 148 GHz spectrum, marginalizing over SZ and source power. The {Lambda}CDM cosmological model is a good fit to the data ({chi}{sup 2}/dof = 29/46), and {Lambda}CDM parameters estimated from ACT+Wilkinson Microwave Anisotropy Probe (WMAP) are consistent with the seven-year WMAP limits, with scale invariant n{sub s} = 1 excluded at 99.7% confidence level (CL) (3{sigma}). A model with no CMB lensing is disfavored at 2.8{sigma}. By measuring the third to seventh acoustic peaks, and probing the Silk damping regime, the ACT data improve limits on cosmological parameters that affect the small-scale CMB power. The ACT data combined with WMAP give a 6{sigma} detection of primordial helium, with Y{sub P} = 0.313 {+-} 0.044, and a 4{sigma} detection of relativistic species, assumed to be neutrinos, with N{sub eff} = 5.3 {+-} 1.3 (4.6 {+-} 0.8 with BAO+H{sub 0} data). From the CMB alone the running of the spectral index is constrained to be dn{sub s} /dln k = -0.034 {+-} 0.018, the limit on the tensor-to-scalar ratio is r < 0.25 (95% CL), and the possible contribution of Nambu cosmic strings to the power spectrum is constrained to string tension G{mu} < 1.6 x 10{sup -7} (95% CL).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Fourier-like Thermal Relaxation of Nanoscale Explosive Hot Spots

Hot spots are local regions of high temperature that are widely considered to govern explosive initiation. Hot spot dynamics rests on a delicate balance between heat generation due to chemical reactions and heat loss through thermal conduction, making accurate determinations of the conductivity under extreme conditions a key component of predictive explosive models. We develop here an approach to directly determine the thermal transport properties of explosive hot spots with realistic initial structures through a combination of molecular dynamics (MD) and diffusive heat equation (HEq) modeling. Effective thermal conductivity values are determined by fitting HEq models to MD predictions of long timescale hot spot relaxation. The approach is applied to model hot spots in the molecular crystalline explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) for a range of shock strengths and two limiting cases for impact orientation. Isotropic and anisotropic HEq models yield similar results, despite TATB exhibiting some of the largest and most anisotropic thermal conductivity values for explosive near normal conditions. The conductivity is found to be a strong function of density, which parametrically captures dependence on temperature, pressure, and material state. The associated root-mean-square errors of the fitted HEq models are approximately 5% of MD predicted final equilibrium temperatures. Here, the conductivity values determined here for TATB hot spots are considerably larger than those used in a prior hot spot criticality study, which may significantly impact predictions for critical hot spot sizes. The approach provides a convenient foundation for determining the effective thermal conductivity for hot spot problems in other explosives and directly yields information on reasonable approximations that might be taken in higher-level models for those materials.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Measurement of the black hole mass in NGC 1332 from ALMA observations at 0.044 arcsecond resolution

We present Atacama Large Millimeter/submillimeter Array (ALMA) Cycle 3 observations of CO(2–1) emission from the circumnuclear disk in the E/S0 galaxy NGC 1332 at 0.″044 resolution. The disk exhibits regular rotational kinematics and central high-velocity emission (±500 km s{sup −1}) consistent with the presence of a compact central mass. We construct models for a thin, dynamically cold disk in the gravitational potential of the host galaxy and black hole and fit the beam-smeared model line profiles directly to the ALMA data cube. Model fits successfully reproduce the disk kinematics out to r = 200 pc. Fitting models just to spatial pixels within projected r = 50 pc of the nucleus (two times larger than the black hole’s gravitational radius of influence), we find M{sub BH}=(6.64{sub −0.63}{sup +0.65})×10{sup 8} M{sub ⊙}. This observation demonstrates ALMA’s powerful capability to determine the masses of supermassive black holes by resolving gas kinematics on small angular scales in galaxy nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

On readout of vibrational qubits using quantum beats

Readout of the final states of qubits is a crucial step towards implementing quantum computation in experiment. Although not scalable to large numbers of qubits per molecule, computational studies show that molecular vibrations could provide a significant (factor 2–5 in the literature) increase in the number of qubits compared to two-level systems. In this theoretical work, we explore the process of readout from vibrational qubits in thiophosgene molecule, SCCl{sub 2}, using quantum beat oscillations. The quantum beats are measured by first exciting the superposition of the qubit-encoding vibrational states to the electronically excited readout state with variable time-delay pulses. The resulting oscillation of population of the readout state is then detected as a function of time delay. In principle, fitting the quantum beat signal by an analytical expression should allow extracting the values of probability amplitudes and the relative phases of the vibrational qubit states. However, we found that if this procedure is implemented using the standard analytic expression for quantum beats, a non-negligible phase error is obtained. We discuss the origin and properties of this phase error, and propose a new analytical expression to correct the phase error. The corrected expression fits the quantum beat signal very accurately, which may permit reading out the final state of vibrational qubits in experiments by combining the analytic fitting expression with numerical modelling of the readout process. The new expression is also useful as a simple model for fitting any quantum beat experiments where more accurate phase information is desired.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

HerMES: Spectral energy distributions of submillimeter galaxies at z > 4

We present a study of the infrared properties for a sample of seven spectroscopically confirmed submillimeter galaxies (SMGs) at z > 4.0. By combining ground-based near-infrared, Spitzer IRAC and MIPS, Herschel SPIRE, and ground-based submillimeter/millimeter photometry, we construct their spectral energy distributions (SEDs) and a composite model to fit the SEDs. The model includes a stellar emission component at λ{sub rest} < 3.5 μm, a hot dust component peaking at λ{sub rest} ∼ 5 μm, and cold dust component which becomes significant for λ{sub rest} > 50 μm. Six objects in the sample are detected at 250 and 350 μm. The dust temperatures for the sources in this sample are in the range of 40-80 K, and their L {sub FIR} ∼ 10{sup 13} L {sub ☉} qualifies them as hyper-luminous infrared galaxies. The mean FIR-radio index for this sample is around (q) = 2.2 indicating no radio excess in their radio emission. Most sources in the sample have 24 μm detections corresponding to a rest-frame 4.5 μm luminosity of Log{sub 10}(L {sub 4.5}/L {sub ☉}) = 11 ∼ 11.5. Their L {sub 4.5}/L {sub FIR} ratios are very similar to those of starburst-dominated SMGs at z ∼ 2. The L {sub CO} – L {sub FIR} relation for this sample is consistent with that determined for local ULIRGs and SMGs at z ∼ 2. We conclude that SMGs at z > 4 are hotter and more luminous in the FIR but otherwise very similar to those at z ∼ 2. None of these sources show any sign of the strong QSO phase being triggered.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Gamma-Ray Observations of the Supernova Remnant RX J0852.0-4622 with the Fermi LAT

We report on gamma-ray observations of the supernova remnant (SNR) RX J0852.0-4622 with the Large Area Telescope (LAT) aboard the Fermi Gamma-ray Space Telescope. In the Fermi LAT data, we find a spatially extended source at the location of the SNR. The extension is consistent with the SNR size seen in other wavelengths such as X-rays and TeV gamma rays, leading to the identification of the gamma-ray source with the SNR. The spectrum is well described as a power law with a photon index of {Lambda} = 1.85 {+-} 0.06 (stat){sub -0.19}{sup +0.18} (sys), which smoothly connects to the H.E.S.S. spectrum in the TeV energy band. We discuss the gamma-ray emission mechanism based on multiwavelength data. The broadband data can be fit well by a model in which the gamma rays are of hadronic origin. We also consider a scenario with inverse Compton scattering of electrons as the emission mechanism of the gamma rays. Although the leptonic model predicts a harder spectrum in the Fermi LAT energy range, the model can fit the data considering the statistical and systematic errors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Improved crystallographic models through iterated local density-guided model deformation and reciprocal-space refinement

A density-based procedure is described for improving a homology model that is locally accurate but differs globally. The model is deformed to match the map and refined, yielding an improved starting point for density modification and further model-building. An approach is presented for addressing the challenge of model rebuilding after molecular replacement in cases where the placed template is very different from the structure to be determined. The approach takes advantage of the observation that a template and target structure may have local structures that can be superimposed much more closely than can their complete structures. A density-guided procedure for deformation of a properly placed template is introduced. A shift in the coordinates of each residue in the structure is calculated based on optimizing the match of model density within a 6 Å radius of the center of that residue with a prime-and-switch electron-density map. The shifts are smoothed and applied to the atoms in each residue, leading to local deformation of the template that improves the match of map and model. The model is then refined to improve the geometry and the fit of model to the structure-factor data. A new map is then calculated and the process is repeated until convergence. The procedure can extend the routine applicability of automated molecular replacement, model building and refinement to search models with over 2 Å r.m.s.d. representing 65–100% of the structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗