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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

NuSTAR and Swift Observations of the Ultraluminous X-Ray Source IC 342 X-1 in 2016: Witnessing Spectral Evolution

We report on an X-ray observing campaign of the ultraluminous X-ray source IC 342 X-1 with NuSTAR and Swift in 2016 October, in which we captured the very moment when the source showed spectral variation. The Swift/XRT spectrum obtained in October 9–11 has a power-law shape and is consistent with those observed in the coordinated XMM-Newton and NuSTAR observations in 2012. In October 16–17, when the 3–10 keV flux became ≈4 times higher, we performed simultaneous NuSTAR and Swift observations. In this epoch, the source showed a more round-shaped spectrum like that seen with ASCA 23 years ago. Thanks to the wide energy coverage and high sensitivity of NuSTAR , we obtained hard X-ray data covering up to ∼30 keV for the first time during the high-luminosity state of IC 342 X-1. The observed spectrum has a broader profile than the multi-color disk blackbody model. The X-ray flux decreased again in the last several hours of the NuSTAR observation, when the spectral shape approached those seen in 2012 and 2016 October 9–11. The spectra obtained in our observations and in 2012 can be commonly described with disk emission and its Comptonization in cool ( T {sub e} ≈ 4 keV), optically thick ( τ ≈ 5) plasma. The spectral turnover seen at around 5–10 keV shifts to higher energies as the X-ray luminosity decreases. This behavior is consistent with that predicted from recent numerical simulations of super-Eddington accretion flows with Compton-thick outflows. We suggest that the spectral evolution observed in IC 342 X-1 can be explained by a smooth change in mass-accretion rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Iterative spectral method for solving electrostatic or magnetostatic problems in complex and evolving heterostructures

Electrostatic or magnetostatic problems involving complex heterogeneity are nontrivial for modeling and simulation. Most existing numerical methods focus on sharp interface models and the computational cost increases with increasing complexity of the geometry. Here we develop an iterative spectral method, the bound charge successive approximation algorithm, to solve electrostatic or magnetostatic heterogeneity problems in the context of diffuse-interface modeling. As tests and verifications, this algorithm is applied to calculation of the depolarization factor of an ellipsoid, and simulation of random dielectric mixtures and the dielectophoretic motion of multiple particles. The algorithm shows excellent efficiency and the computational cost mainly depends on the permittivity or permeability contrast in the whole system, regardless of the complexity of the geometry. Specifically, for evolving heterostructures the solution of bound charge in one time step can be used as input for the next, which could further significantly shorten the iteration (approximation) process, making it practical to simulate the long-range electrostatic or magnetostatic interaction in complex and evolving heterostructures.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Principal Component-Based Radiative Transfer Model (PCRTM) for Hyperspectral Remote Sensors for UV, VVIS, NIR, IR, and FIR Spectral Regions

Fast and accurate radiative transfer models are needed to efficiently process satellite hyperspectral remote sensors. We have developed a Principal Component-based radiative transfer model (PCRTM) which can simulate TOA radiance or reflectance spectra in the cloudy atmosphere for far IR, IR, NIR, VIS, and UV spectral regions quickly and accurately. Multi-scattering of multiple layers of clouds/aerosols is included in the model. Polarization components can also be calculated. The computation speed is 3 to 4 orders of magnitude faster than MODTRAN5, LBLRTM, and VLIDORT. The PCRTM calculated radiance spectra agree with reference RTM calculated radiance spectra very well (0.03 K in IR and 0.05% in solar). Comparisons of the PCRTM model calculations with observed AIRS, CrIS, IASI, NAST-I, and SCIAMACHY data will be presented. The solar-PCRTM has been developed for CLARREO PathFinder (CPF) and has been extensively used for CPF science algorithms. The PCRTM can also be used for many current and future NASA future missions such as EMIT, SBG, TEMPO, and PACE.

pcrtm↗
NASA NTRS1996

An optimized index of human cardiovascular adaptation to simulated weightlessness

Prolonged exposure to weightlessness is known to produce a variety of cardiovascular changes, some of which may influence the astronaut's performance during a mission. In order to find a reliable indicator of cardiovascular adaptation to weightlessness, we analyzed data from nine male subjects after a 24-hour period of normal activity and after a period of simulated weightlessness produced by two hours in a launch position followed by 20 hours of 6 degrees head-down tilt plus pharmacologically induced diuresis (furosemide). Heart rate, arterial pressure, thoracic fluid index, and radial flow were analyzed. Autoregressive spectral estimation and decomposition were used to obtain the spectral components of each variable from the subjects in the supine position during pre- and post-simulated weightlessness. We found a significant decrease in heart rate power and an increase in thoracic fluid index power in the high frequency region (0.2-0.45 Hz) and significant increases in radial flow and arterial pressure powers in the low frequency region (<0.2 Hz) in response to simulated weightlessness. However, due to the variability among subjects, any single variable appeared limited as a dependable index of cardiovascular adaptation to weightlessness. The backward elimination algorithm was then used to select the best discriminatory features from these spectral components. Fisher's linear discriminant and Bayes' quadratic discriminant were used to combine the selected features to obtain an optimal index of adaptation to simulated weightlessness. Results showed that both techniques provided improved discriminant performance over any single variable and thus have the potential for use as an index to track adaptation and prescribe countermeasures to the effects of weightlessness.

NASA Discipline Number 14-10↗
DOE OSTI2014

Photonuclear reaction based high-energy x-ray spectrometer to cover from 2 MeV to 20 MeV

A photonuclear-reaction-based hard x-ray spectrometer is developed to measure the number and energy spectrum of fast electrons generated by interactions between plasma and intense laser light. In this spectrometer, x-rays are converted to neutrons through photonuclear reactions, and the neutrons are counted with a bubble detector that is insensitive to x-rays. The spectrometer consists of a bundle of hard x-ray detectors that respond to different photon-energy ranges. Proof-of-principle experiment was performed on a linear accelerator facility. A quasi-monoenergetic electron bunch (N{sub e} = 1.0 × 10{sup −6} C, E{sub e} = 16 ± 0.32 MeV) was injected into a 5-mm-thick lead plate. Bremsstrahlung x-rays, which emanate from the lead plate, were measured with the spectrometer. The measured spectral shape and intensity agree fairly well with those computed with a Monte Carlo simulation code. The result shows that high-energy x-rays can be measured absolutely with a photon-counting accuracy of 50%–70% in the energy range from 2 MeV to 20 MeV with a spectral resolution (Δhν/hν) of about 15%. Quantum efficiency of this spectrometer was designed to be 10{sup −7}, 10{sup −4}, 10{sup −5}, respectively, for 2–10, 11–15, and 15–25 MeV of photon energy ranges.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Enhanced infrared detectors using resonant structures combined with thin type-II superlattice absorbers

Here we examined the spectral responsivity of a 1.77μm thick type-II superlattice based long-wave infrared detector in combination with metallic nanoantennas. Coupling between the Fabry-Pérot cavity formed by the semiconductor layer and the resonant nanoantennas on its surface enables spectral selectivity, while also increasing peak quantum efficiency to over 50%. Electromagnetic simulations reveal that this high responsivity is a direct result of field-enhancement in the absorber layer, enabling significant absorption in spite of the absorber’s subwavelength thickness. Notably, thinning of the absorbing material could ultimately yield lower photodetector noise through a reduction in dark current while improving photocarrier collection efficiency. The temperature- and incident-angle-independent spectral response observed in these devices allows for operation over a wide range of temperatures and optical systems. This detector paradigm demonstrates potential benefits to device performance with applications throughout the infrared.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Temperature-Dependent Electron Paramagnetic Resonance Studies of Docosahexaenoic Acid and Gamma Linolenic Acid Effects on Phospholipid Membranes With and Without Cholesterol

Free docosahexaenoic acid (DHAn-3) and gamma linolenic acid (GLAn-6) effects on dimyristoyl phosphatidylcholine (DMPC) membranes were studied as a function of temperature by electron paramagnetic resonance (EPR) spectroscopy. 5- and 16-doxyl stearic acid (5-, 16-DS) spin labels were utilized to obtain information from the interfacial and alkyl chain region, respectively. In the studied temperature range, the presence of DHAn-3 or GLAn-6 caused decreases in maximum hyperfi ne splitting values and correlation times of DMPC membranes. Both in the interfacial region and depths of membrane, changes were more pronounced for DHAn-3 in pure DMPC. In the presence of cholesterol (CH), DHAn-3 and GLAn-6 effects were similar and more pronounced in the depths of the membrane. The changes in the structure and dynamics of samples were obtained from simulations of spectra, which indicated some changes in the number of spectral components by incorporation of DHAn-3 and GLAn-6. In the interfacial region and below the main phase transition temperature of DMPC, there was an increase in heterogeneity. For temperatures above the phase transition, a more homogeneous environment for spin label was obtained in the presence of fatty acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

A spectral cascade-transport turbulence model for wall-bounded flows

A spectral cascade-transport model has been developed and applied to turbulent channel flows (Re{sub τ} = 550, 950, and 2000 based on friction velocity, u{sub τ}; or Re{sub δ} = 8,500; 14,800 and 31,000, based on the mean velocity and channel half-width). This model is an extension of a spectral model previously developed for homogeneous single and two-phase decay of isotropic turbulence and uniform shear flows; and a spectral turbulence model for wall-bounded flows without resolving the boundary layer. A direct numerical simulation (DNS) of turbulent channel flow was used to help develop this model and to assess its performance in the 1D direction across the channel width. The resultant spectral model is capable of predicting the mean velocity, turbulent kinetic energy and energy spectrum distributions for single-phase wall-bounded flows all the way to the wall, where the model source terms have been developed to account for the wall influence. The model is in the process of implementation into the 3D multiphase CFD code NPHASE-CMFD and the latest results are within reasonable error of the 1D predictions. (authors)

42 ENGINEERING↗
DOE OSTI2021

QTRAJ 1.0: A Lindblad equation solver for heavy-quarkonium dynamics

Here we introduce an open-source package called QTraj that solves the Lindblad equation for heavy-quarkonium dynamics using the quantum trajectories algorithm. The package allows users to simulate the suppression of heavy-quarkonium states using externally-supplied input from 3+1D hydrodynamics simulations. The code uses a split-step pseudo-spectral method for updating the wave-function between jumps, which is implemented using the open-source multi-threaded FFTW3 package. This allows one to have manifestly unitary evolution when using real-valued potentials. In this paper, we provide detailed documentation of QTraj 1.0, installation instructions, and present various tests and benchmarks of the code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A holey cavity for single-transducer 3D ultrasound imaging with physical optimization

Within the compressive sensing (CS) framework, one effective way to increase the likelihood of successful signal reconstruction is to employ random processes in the construction of the sensing matrix. This work presents a 3D holey cavity, with diverse frequency modes, to spectrally code, that is, randomize, the ultrasound wave fields. The simulated results show that the use of such a cavity enables imaging simple or complex targets, such as spheres or the letter E, by only a single transceiver—something that is not possible without the use of a coding structure like the cavity. The effect of noise on imaging results and the size of the targets on the first-order Born approximation (BA) are also investigated. Moreover, this study attempts to optimize the cavity, based on a single numerical metric, such as the sum of singular values (SSV) or mutual coherence (MC). Yet, it will be shown that neither of these metrics can consistently compare the norm-one imaging performance between two cavities of different materials or hole sizes. This leaves finding a quantitative metric for these kinds of optimizations an open problem.

42 ENGINEERING↗
DOE OSTI2023

Investigating the Electronic Structure of Prospective Water-Splitting Oxide BaCe 0.25 Mn 0.75 O 3-δ before and after Thermal Reduction

BaCe 0.25 Mn 0.75 O 3-δ (BCM), a non-stoichiometric oxide with a layered perovskite-like crystal structure, has recently emerged as a prospective contender for application in renewable energy harvesting by solar thermochemical hydrogen generation. Using solar-thermal energy and a reducing environment, oxygen vacancies can be created in high-temperature BCM, and the reduced crystal so obtained can, in turn, produce H 2 by stripping oxygen from H 2 O. Therefore, a first step toward understanding the working mechanism and optimizing the performance of BCM is a thorough and comparative analysis of the electronic structure of the pristine and the reduced material. In this paper, we probe the electronic structure of BCM using the combined effort of first-principles calculations and experimental O K-edge X-ray absorption spectroscopy (XAS). The computed projected density of states (PDOS) and orbital plots are used to propose a simplified model for orbital mixing between the oxygen and metal atoms. With the help of state-of-the-art simulations, we are able to find the origins of the XAS peaks and categorize them on the basis of contribution from Ce and Mn. For the reduced crystal, the calculations show that the change in electron density resulting from the reduction is strongly localized around the oxygen vacancy. Experimental measurements reveal a marked lowering of the first O K-edge peak in the reduced crystal. Using theoretical analysis, this is shown to result from lifting of spin degeneracy in the absorption peaks as well as from a diminished O 2p contribution to the frontier unoccupied orbitals, in accordance with the tight binding scheme. The simulated results serve as a reference for the extent of spectral change as a function of the percentage of oxygen vacancies in the reduced crystal. Here, our study paves the way for the investigation of the working mechanism of BCM and for computational and experimental efforts aimed at design and discovery of efficient water-splitting oxides.

08 HYDROGEN↗
DOE OSTI2024

A 2D chiral microcavity based on apparent circular dichroism

Abstract Engineering asymmetric transmission between left-handed and right-handed circularly polarized light in planar Fabry–Pérot (FP) microcavities would enable a variety of chiral light-matter phenomena, with applications in spintronics, polaritonics, and chiral lasing. Such symmetry breaking, however, generally requires Faraday rotators or nanofabricated polarization-preserving mirrors. We present a simple solution requiring no nanofabrication to induce asymmetric transmission in FP microcavities, preserving low mode volumes by embedding organic thin films exhibiting apparent circular dichroism (ACD); an optical phenomenon based on 2D chirality. Importantly, ACD interactions are opposite for counter-propagating light. Consequently, we demonstrated asymmetric transmission of cavity modes over an order of magnitude larger than that of the isolated thin film. Through circular dichroism spectroscopy, Mueller matrix ellipsometry, and simulation using theoretical scattering matrix methods, we characterize the spatial, spectral, and angular chiroptical responses of this 2D chiral microcavity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Near-infrared C-term MCD spectroscopy of octahedral uranium (V) complexes

C-term magnetic circular dichroism (MCD) spectroscopy is a powerful method for probing d–d and f–f transitions in paramagnetic metal complexes. However, this technique remains underdeveloped both experimentally and theoretically for studies of U(V) complexes of Oh symmetry, which have been of longstanding interest for probing electronic structure, bonding, and covalency in 5f systems. In this study, C-term NIR MCD of the Laporte forbidden f–f transitions of [UCl 6 ] - and [UF 6 ] - are reported, demonstrating the significant fine structure resolution possible with this technique including for the low energy Γ 7 → Γ 8 transitions in [UF 6 ] - . The experimental NIR MCD studies were further extended to [U(OC 6 F 5 ) 6 ] - , [U(CH 2 SiMe 3 ) 6 ] - , and [U(NC(tBu)(Ph)) 6 ] - to evaluate the effects of ligand-type on the f–f MCD fine structure features. Theoretical calculations were conducted to determine the Laporte forbidden f–f transitions and their MCD intensity experimentally observed in the NIR spectra of the U(V) hexahalide complexes, via the inclusion of vibronic coupling, to better understand the underlying spectral fine structure features for these complexes. These spectra and simulations provide an important platform for the application of MCD spectroscopy to this widely studied class of U(V) complexes and identify areas for continued theoretical development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Large-amplitude, narrow-linewidth microwave emission in a dual free-layer MgO spin-torque oscillator

Synchronized magnetization motion among the several magnetic layers composing a spin-torque oscillator (STO) is considered an effective way to improve spectral purity. To utilize this scheme in a MgO-based STO, we have fabricated a dual free-layer STO composed of a CoFeB free layer (FL), a MgO barrier layer, and a CoFe/Ru/CoFeB synthetic ferrimagnet free layer (SyF). Unlike conventional MgO-based STOs, this structure does not have an antiferromagnetic layer that pins the SyF, leading to a large-amplitude oscillation of magnetization in the SyF. The dual free-layer STO exhibits coherent microwave emissions with power spectrum density beyond 800 nW/GHz and narrow spectral linewidth below 5 MHz (Q-factor ≈ 2000). Macrospin simulations confirm that the stable oscillations originate from the synchronized magnetization motion of the FL and the SyF through dynamical dipolar coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

HXeI and HXeH in Ar, Kr, and Xe matrices: Experiment and simulation

Experimental and theoretical studies of HXeI and HXeH molecules in Ar, Kr, and Xe matrices are presented. HXeI exhibits the H–Xe stretching bands at 1238.0 and 1239.0 cm{sup −1} in Ar and Kr matrices, respectively, that are blue-shifted from the HXeI band observed in a Xe matrix (1193 cm{sup −1}) by 45 and 46 cm{sup −1}. These shifts are larger than those observed previously for HXeCl (27 and 16 cm{sup −1}) and HXeBr (37 and 23 cm{sup −1}); thus, the matrix effect is stronger for less stable molecules. The results for HXeI are qualitatively different from all previous results on noble-gas hydrides with respect to the frequency order between Ar and Kr matrices. For previously studied HXeCl, HXeBr, and HXeCCH, the H–Xe stretching frequency is reliably (by >10 cm{sup −1}) higher in an Ar matrix than in a Kr matrix. In contrast, the H–Xe stretching frequency of HXeI in an Ar matrix is slightly lower than that in a Kr matrix. HXeH absorbs in Ar and Kr matrices at 1203.2 and 1192.1 cm{sup −1} (the stronger band for a Kr matrix), respectively. These bands are blue-shifted from the stronger band of HXeH in a Xe matrix (1166 cm{sup −1}) by 37 and 26 cm{sup −1}, and this frequency order is the same as observed for HXeCl, HXeBr, and HXeCCH but different from HXeI. The present hybrid quantum-classical simulations successfully describe the main experimental findings. For HXeI in the 〈110〉 (double substitution) site, the order of the H–Xe stretching frequencies (ν(Xe) < ν(Ar) < ν(Kr)) is in accord with the experimental observations, and also the frequency shifts in Ar and Kr matrices from a Xe matrix are well predicted (30 and 34 cm{sup −1}). Both in the theory and experiment, the order of the H–Xe stretching frequencies differs from the case of HXeCl, which suggests the adequate theoretical description of the matrix effect. For HXeH in the 〈100〉 (single substitution) site, the order of the frequencies is ν(Xe) < ν(Kr) < ν(Ar), which also agrees with the experiments. The calculated frequency shifts for HXeH in Ar and Kr matrices with respect to a Xe matrix (36 and 23 cm{sup −1}) are in a good agreement with the experiments. The present calculations predict an increase of the H–Xe stretching frequencies in the noble-gas matrices with respect to vacuum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Online quantitative analysis of multispectral images of human body tissues

A method is developed for online monitoring of structural and morphological parameters of biological tissues (haemoglobin concentration, degree of blood oxygenation, average diameter of capillaries and the parameter characterising the average size of tissue scatterers), which involves multispectral tissue imaging, image normalisation to one of its spectral layers and determination of unknown parameters based on their stable regression relation with the spectral characteristics of the normalised image. Regression is obtained by simulating numerically the diffuse reflectance spectrum of the tissue by the Monte Carlo method at a wide variation of model parameters. The correctness of the model calculations is confirmed by the good agreement with the experimental data. The error of the method is estimated under conditions of general variability of structural and morphological parameters of the tissue. The method developed is compared with the traditional methods of interpretation of multispectral images of biological tissues, based on the solution of the inverse problem for each pixel of the image in the approximation of different analytical models. (biomedical optics)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion

Significance It has been well known that the phonon drag effect—an extra electrical current induced by phonon heat flow via electron–phonon interaction—can lead to unusually high Seebeck coefficient at low temperatures. However, its use for improving thermoelectric performance has been controversial. Here, using first principles calculations we examine the phonon drag with detailed mode-specific contributions and reveal that even in heavily doped silicon at room temperature, phonon drag can still be significant, which challenges the previous belief that phonon drag vanishes in heavily doped samples. A phonon filter is designed to spectrally decouple the phonon drag from the heat conduction. Our simulation explores the coupled electron phonon transport and uncovers the possibility of optimizing the phonon drag for better thermoelectrics.

42 ENGINEERING↗
DOE OSTI2013

EXPLORING THE COSMIC REIONIZATION EPOCH IN FREQUENCY SPACE: AN IMPROVED APPROACH TO REMOVE THE FOREGROUND IN 21 cm TOMOGRAPHY

With the intent of correctly restoring the redshifted 21 cm signals emitted by neutral hydrogen during the cosmic reionization processes, we re-examine the separation approaches based on the quadratic polynomial fitting technique in frequency space in order to investigate whether they work satisfactorily with complex foreground by quantitatively evaluating the quality of restored 21 cm signals in terms of sample statistics. We construct the foreground model to characterize both spatial and spectral substructures of the real sky, and use it to simulate the observed radio spectra. By comparing between different separation approaches through statistical analysis of restored 21 cm spectra and corresponding power spectra, as well as their constraints on the mean halo bias b and average ionization fraction x{sub e} of the reionization processes, at z = 8 and the noise level of 60 mK we find that although the complex foreground can be well approximated with quadratic polynomial expansion, a significant part of the Mpc-scale components of the 21 cm signals (75% for {approx}> 6 h {sup -1} Mpc scales and 34% for {approx}> 1 h {sup -1} Mpc scales) is lost because it tends to be misidentified as part of the foreground when the single-narrow-segment separation approach is applied. The best restoration of the 21 cm signals and the tightest determination of b and x{sub e} can be obtained with the three-narrow-segment fitting technique as proposed in this paper. Similar results can be obtained at other redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗