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At least 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

An interlaboratory comparison of mid-infrared spectra acquisition: Instruments and procedures matter

Diffuse reflectance spectroscopy has been extensively employed to deliver timely and cost-effective predictions of a number of soil properties. However, although several soil spectral laboratories have been established worldwide, the distinct characteristics of instruments and operations still hamper further integration and interoperability across mid-infrared (MIR) soil spectral libraries. In this study, we conducted a large-scale ring trial experiment to understand the lab-to-lab variability of multiple MIR instruments. By developing a systematic evaluation of different mathematical treatments with modeling algorithms, including regular preprocessing and spectral standardization, we quantified and evaluated instruments' dissimilarity and how this impacts internal and shared model performance. We found that all instruments delivered good predictions when calibrated internally using the same instruments' characteristics and standard operating procedures by solely relying on regular spectral preprocessing that accounts for light scattering and multiplicative/additive effects, e.g., using standard normal variate (SNV). When performing model transfer from a large public library (the USDA NSSCKSSL MIR library) to secondary instruments, good performance was also achieved by regular preprocessing (e. g., SNV) if both instruments shared the same manufacturer. However, significant differences between the KSSL MIR library and contrasting ring trial instruments responses were evident and confirmed by a semi-unsupervised spectral clustering. For heavily contrasting setups, spectral standardization was necessary before transferring prediction models. Non-linear model types like Cubist and memory-based learning delivered more precise estimates because they seemed to be less sensitive to spectral variations than global partial least square regression. In summary, the results from this study can assist new laboratories in building spectroscopy capacity utilizing existing MIR spectral libraries and support the recent global efforts to make soil spectroscopy universally accessible with centralized or shared operating procedures.

58 GEOSCIENCES↗
NASA NTRS2006

Elemental and Molecular Relative Abundances in the Ejecta of Eta Carinae

We are measuring relative elemental abundances for the ejecta in the line of sight from Eta Carinae using high dispersion spectroscopy with the HST/STIS and the VLT/UVES. While multiple velocity components have been identified, we focus on the -513 and -146 km/s components originating from the Homunculus and the Little Homunculus. Complicating factors are the complex nebular structures in the immediate vicinity of the bright, massive star: the very bright emission structures, Weigelt blobs B, C and D, the broad, clumpy structures of the extended wind apparently not photoionized by Eta Car B, and general scattered starlight from the extended wind and the dusty core of the circumstellar material. We have used the 3050 to 3160A region of overlap between STIS and UVES to intercompare equivalent widths of absorption lines to estimate the 'contributing factor', namely the amount of light originating from the star compared to nebular structures. While the extracted STIS spectra are from 0.1" wide aperture, the UVES spectra are limited by the 1" seeing conditions. Curiously we find that the scattering contribution in the UVES spectra changes with time, apparently with orbital phase of the 5.54-year period. This indicates that the dust may be modified by changes in the central source with phase. The noticeable drop in scattered light appears to occur about 1.7 years (phase 0.35) after the spectroscopic minimum. Relative abundances of iron peak elements and some molecules will be estimated. Observations in this study were accomplished with HST through STSci and with VLT through ESO and funded under STIS GTO resources.

Kober, G. V.↗
NASA NTRS2015

Shielding Development for Nuclear Thermal Propulsion

Radiation shielding analysis and development for the Nuclear Cryogenic Propulsion Stage (NCPS) effort is currently in progress and preliminary results have enabled consideration for critical interfaces in the reactor and propulsion stage systems. Early analyses have highlighted a number of engineering constraints, challenges, and possible mitigating solutions. Performance constraints include permissible crew dose rates (shared with expected cosmic ray dose), radiation heating flux into cryogenic propellant, and material radiation damage in critical components. Design strategies in staging can serve to reduce radiation scatter and enhance the effectiveness of inherent shielding within the spacecraft while minimizing the required mass of shielding in the reactor system. Within the reactor system, shield design is further constrained by the need for active cooling with minimal radiation streaming through flow channels. Material selection and thermal design must maximize the reliability of the shield to survive the extreme environment through a long duration mission with multiple engine restarts. A discussion of these challenges and relevant design strategies are provided for the mitigation of radiation in nuclear thermal propulsion.

Caffrey, Jarvis A.↗
DOE OSTI2026

A foundation model for non-destructive defect identification from vibrational spectra

Defects are ubiquitous in solids and strongly influence materials’ functional properties. However, non-destructive characterization and quantification of defects, especially when multiple types coexist, remain a long-standing challenge. Here, we introduce DefectNet, a foundation machine learning model that predicts the chemical identity and concentration of substitutional point defects with multiple coexisting elements directly from vibrational spectra, specifically phonon density-of-states (PDoS). Trained on over 16,000 simulated spectra from 2,000 semiconductors, DefectNet employs a tailored attention mechanism to identify up to six distinct defect elements at concentrations ranging from 0.2% to 25%. The model generalizes well to unseen crystals across 56 elements and can be fine-tuned on experimental data. Validation using inelastic scattering measurements of SiGe alloys and MgB 2 superconductor demonstrates its accuracy and transferability. Furthermore, our work establishes vibrational spectroscopy as a viable, non-destructive probe for bulk point defect quantification, and highlights the promise of foundation models in data-driven defect engineering.

artificial intelligence↗
DOE OSTI2021

Polyphenols Weaken Pea Protein Gel by Formation of Large Aggregates with Diminished Noncovalent Interactions

Polyphenols are well-known native cross-linkers and gel strengthening agents for many animal proteins. However, their role in modifying plant protein gels remains unclear. In this study, multiple techniques were applied to unravel the influence of green tea polyphenols (GTP) on pea protein gels and the underlying mechanisms. We found that the elasticity and viscosity of pea protein gels decreased with increased GTP. The protein backbone became less rigid when GTP was present based on shortened T 1ρ H in relaxation solid-state NMR measurements. Electron microscopy and small-angle X-ray scattering showed that gels weakened by GTP possessed disrupted networks with the presence of large protein aggregates. Solvent extraction and molecular dynamic simulation revealed a reduction in hydrophobic interactions and hydrogen bonds among proteins in gels containing GTP. The current findings may be applicable to other plant proteins for greater control of gel structures in the presence of polyphenols, expanding their utilization in food and biomedical applications.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2021

Evaluation of Higher-order Quadrature Schemes in Improving Computational Efficiency for Orientation-averaged Single-Scattering Properties of Nonspherical Ice Particles

We evaluate several high-order quadrature schemes for accuracy and efficacy in obtaining orientation-averaged single-scattering properties (SSPs). We use the highly efficient MIDAS to perform electromagnetic scattering calculations to evaluate the gain in efficiency from these schemes. MIDAS is shown to be superior to DDSCAT, a popular discrete dipole approximation (DDA) method. This study is motivated by the fact that quality physical precipitation retrievals rely on using accurate orientation-averaged SSPs derived from realistic hydrometeors as input to radiative transfer Models (RTMs). The DDA has been a popular choice for single-scattering calculations, due to its versatility with respect to target geometry. However, being iterative-solver-based (ISB), the most used DDA codes, e.g. DDSCAT and ADDA, must solve the scattering problem for each orientation of the target separately. As the size parameter and geometric anisotropy of the hydrometeor increase, the number of orientations needed to obtain accurate orientation-averages can increase drastically and so does the computation cost incurred by the ISB-DDA methods. MIDAS is a Direct-Solver-Based (DSB) code, its decomposition of the original large matrix with a high rank into multiple more manageable smaller matrices of lower ranks makes it much more computationally efficient while maintaining excellent accuracy. In addition, direct solvers consider all requested orientations at once, giving MIDAS further advantage over popular ISB-DDA methods. MIDAS, when combined with high-order quadrature for orientation averaging, can be greater than three orders of magnitude more efficient in obtaining RTM-ready SSPs of complex-shaped hydrometeors than existing ISB-DDA methods, with the native quadrature schemes they offer.

Ines Fenni↗
DOE OSTI2020

Unitary Bethe-Salpeter Methods in Two- and Three-Body Systems

The study of resonances, unstable particles formed in particle scattering, is motivated by the questions about the strong interaction and the composition of hadrons. In order to advance this study in the intermediate energy region, a variety of techniques are used. In this thesis, we present work done on two different analyses that use the principle of unitarity and the Bethe-Salpeter equation to study the resonances Lambda(1405), Sigma(1385), and a1(1260). Firstly, we perform a simultaneous analysis of Sand P-waves of the Strangeness = -1 two-body meson-baryon scattering amplitude using all low-energy data. For the first time, differential cross section data are included for chiral unitary coupled-channel models. From this model, S- and P-wave amplitudes are extracted and we observe both well-known I(JP)=0(1/2^-) S-wave states as well as a new I(JP)=1(1/2^+) state absent in quark models and lattice QCD results. Multiple statistical and phenomenological tests suggest that, while the data clearly require an I =1 P-wave resonance, the new state just accounts for the absence of the decuplet Sigma(1385)3/2+ in the model which is subsequently included in the parameterization. Secondly, we formulate the final state interaction of the a1(1260) resonance decay in a manifestly three-body-unitary parameterization and fit it to the a1(1260) lineshape measured by the ALEPH experiment. Dalitz plots calculated from this fit are presented. The work demonstrates the feasibility to numerically solve a previously derived amplitude and its generalization to isobars with spin and coupled channels. The model is a good test case because it can also be applied to other meson decays including exotic states and modified for the finite-volume problem as it arises in lattice QCD due to its manifest unitarity. The understanding of the resonances being analyzed in both the two-body work and the three-body work gives a better understanding of intermediate energy QCD.

Sadasivan, Daniel↗
NASA NTRS2004

Stacking Multiple Ion Captures in The High Performance Antiproton Trap (HiPAT)

The High performance Antiproton Trap (HiPAT) research project was initiated by the Marshall Space Flight Center's propulsion Research Center to examining the fundamental behavior of low energy antiprotons. Stored antiproton would ultimately be used for experimental demonstration of basic propulsive concepts. Matter-antimatter annihilation produces approximately 10(exp 8) MJ/g nearly 10 orders of magnitude more energy per unit mass than chemical based combustion, hence NASA's interest. To achieve containment, HiPAT utilizes a type of electromagnetic bottle know as a Penning trap positioned within an ultrahigh vacuum test section. Recently, the HiPAT hardware configuration has been enhanced to facilitate the capture of multiple normal matter ion burst. This endeavor is often referred to as "stacking" and used to increasing the number of captured particles. A prior normal matter experimental effort, successfully demonstrated the effectiveness of single burst capture. The stacking process is accomplished by manipulating the electric field generated by the confinement electrodes i.e. adjusting the well potential depth. These potential well values are initially configured to maximize the quantity of captured ions per burst; shallow wells with a depth of 100 volt or less (referenced to the incoming ion beam energy) are typically selected. Once captured, a cooling interval is required to reduce the energy of trapped particles below the lower extent of the "trap door" (or leading electrode) ion emitting potential. This is necessary such that a new burst of hot ions can be introduced while preventing those already inside from escaping. The cooling time is driven by a combination of mechanisms such as synchrotron radiation, background gas scattering, and resistive damping in a time scale on the order of minutes. A potential for reducing this hold period is to actively manipulate the electric field shape, using the power supply control system, to produce a deeper potential well. The trapped ions ride down the morphing well to a lower potential energy, leaving margin to once again cycle the "trap door" capturing a new burst while limiting the number of escaping ions. By adjusting the magnitude and timing of the potential well shaping, subsequent shots from the ion beam can be captured on a time scale shorter then that dictated by the standard inject, capture and cool technique. Currently, experimental tests are under way examining the functionally of this system for stacking multiple ions bursts within the HiPAT system.

Martin, James J.↗
DOE OSTI2020

Loop equation and exact soft anomalous dimension in $ \mathcal{N} $ = 4 super Yang-Mills

BPS Wilson loops in supersymmetric gauge theories have been the subjects of active research since they are often amenable to exact computation. So far most of the studies have focused on loops that do not intersect. In this paper, we derive exact results for intersecting 1/8 BPS Wilson loops in $ \mathcal{N} $ = 4 supersymmetric Yang-Mills theory, using a combination of supersymmetric localization and the loop equation in 2d gauge theory. The result is given by a novel matrix-model-like representation which couples multiple contour integrals and a Gaussian matrix model. We evaluate the integral at large N, and make contact with the string worldsheet description at strong coupling. As an application of our results, we compute exactly a small-angle limit (and more generally near-BPS limits) of the cross anomalous dimension which governs the UV divergence of intersecting Wilson lines. The same quantity describes the soft anomalous dimension of scattering amplitudes of W-bosons in the Coulomb branch.

't Hooftand Polyakov loops↗
DOE OSTI2022

A broken translational symmetry state in an infinite-layer nickelate

A defining signature of strongly correlated electronic systems is a rich phase diagram, which consists of multiple broken symmetries, such as magnetism, superconductivity, and charge order. In the recently discovered nickelate superconductors a large antiferromagnetic exchange energy has been reported, which implies the existence of strong electronic correlations. However, signatures of a broken-symmetry state other than superconductivity have not yet been observed. Here, we observe charge ordering in infinite-layer nickelates La 1-x Sr x NiO 2 using resonant x-ray scattering. The parent compound orders along the Ni-O bond direction with an incommensurate wave vector, distinct from the stripe order observed in other nickelates that propagates along a direction 45º to the Ni-O bond. The resonance profile we measure indicates that ordering originates from the nickelate layers and induces a parasitic charge modulation of lanthanum electrons. After doping, the charge order diminishes and its wave vector shifts toward commensurate, indicating that strong electronic correlations are likely to be responsible for the ordered state. Our results suggest that the existence of charge order and its potential interplay with antiferromagnetic fluctuations and superconductivity are important themes in nickel-based superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High-speed fiber-based spectrometer for plasma Thomson scattering

Here we present a novel concept for a Thomson scattering diagnostic, based on a high-speed fiber optic spectrometer. The high-speed fiber optic spectrometer presented here translates a spectral measurement from the frequency domain into the time domain, thus requiring the use of only a single photodetector for spectral acquisition. The high temporal precision offered by the instrument gives rise to a number of advantages over traditional spectrometers, such as nearly background-free measurements and multiple uses of the same injected beam. Multiple uses of the same beam would enable greatly increased measurement rates, in the range of 10–100 MHz. The spectral range and resolution of the fiber spectrometer can be easily tailored to be optimized for the light source and experimental conditions by selecting different lengths of fiber, thus allowing for the proposed technique to exhibit high dynamic range when measuring many points simultaneously. Finally, due to the temporal separation of the background from the signal, these improvements are possible without the need for increased average input laser power.

47 OTHER INSTRUMENTATION↗
NASA NTRS2004

Global Aerosol Profiling by Orbital Lidar, GLAS Results and Validation

The Geoscience Laser Altimeter System (GLAS) launched in 2003 is the first polar orbiting satellite lidar. The instrument was designed for high performance observations of the distribution and optical scattering cross sections of clouds and aerosol. GLAS is approaching six months of on orbit data operation. These data from thousands of orbits illustrate the ability of space lidar to accurately and dramatically measure the height distribution of global aerosol to an unprecedented degree. There were many intended science applications of the GLAS data and significant results have already been realized, profiling is a fundamentally new measurement from space with multiple applications. A most important aerosol application is providing input to global aerosol generation transport models. Another is improved measurement of aerosol optical depth. A main approach to verify the aerosol optical depth retrieval is comparison to surface measurements by Aeronet. A special feature of the GLAS satellite bus is to rapidly point the lidar instrument at off nadir targets with less than 100 m accuracy. About a dozen selected Aeronet sites were pointed at whenever the GLAS lidar came within 5 degrees of zenith. These plus a more general comparison to nearby sites support the GLAS data product values. In addition the GLAS data can be used to add vertical distribution information to Aeronet aerosol measurements. As an EOS project instrument, GLAS data products are openly available to the science community. First year results from GLAS are summarized.

Spinhirne, J. D.↗
NASA NTRS2004

Global Aerosol Profiling by Orbital Lidar, GLAS Results and Validation

The Geoscience Laser Altimeter System (GLAS) launched in 2003 is the first polar orbiting satellite lidar. The instrument was designed for high performance observations of the distribution and optical scattering cross sections of clouds and aerosol. GLAS is approaching six months of on orbit data operation. These data from thousands of orbits illustrate the ability of space lidar to accurately and dramatically measure the height distribution of global aerosol to an unprecedented degree. There were many intended science applications of the GLAS data and significant results have already been realized. profiling is a fundamentally new measurement from space with multiple applications. A most important aerosol application is providing input to global aerosol generation and transport models. Another is improved measurement of aerosol optical depth. A main approach to verify the aerosol optical depth retrieval is comparison to surface measurements by Aeronet. A special feature of the GLAS satellite bus is to rapidly point the lidar instrument at off nadir targets with less than 100 m accuracy. About a dozen selected Aeronet sites were pointed at whenever the G U S lidar came within 5 degrees of zenith. These plus a more general comparison to nearby sites support the G U S data product values. In addition the GUS data can be used to add vertical distribution information to Aeronet aerosol measurements.. As an EOS project instrument, GLAS data products are openly available to the science community. First year results from G U S are summarized.

Spinhirne, J. D.↗
NASA NTRS2003

Optical Tweezers Array and Nimble Tweezers Probe Generated by Spatial- Light Modulator

An optical tweezers is being developed at the NASA Glenn Research Center as a visiblelight interface between ubiquitous laser technologies and the interrogation, visualization, manufacture, control, and energization of nanostructures such as silicon carbide (SiC) nanotubes. The tweezers uses one or more focused laser beams to hold micrometer-sized particles called tools (sometimes called tips in atomic-force-microscope terminology). A strongly focused laser beam has an associated light-pressure gradient that is strong enough to pull small particles to the focus, in spite of the oppositely directed scattering force; "optical tweezers" is the common term for this effect. The objective is to use the tools to create carefully shaped secondary traps to hold and assemble nanostructures that may contain from tens to hundreds of atoms. The interaction between a tool and the nanostructures is to be monitored optically as is done with scanning probe microscopes. One of the initial efforts has been to create, shape, and control multiple tweezers beams. To this end, a programmable spatial-light modulator (SLM) has been used to modify the phase of a laser beam at up to 480 by 480 points. One program creates multiple, independently controllable tweezer beams whose shapes can be tailored by making the SLM an adaptive mirror in an interferometer (ref. 1). The beams leave the SLM at different angles, and an optical Fourier transform maps these beams to different positions in the focal plane of a microscope objective. The following figure shows two arrays of multiple beams created in this manner. The patterns displayed above the beam array control the intensity-to-phase transformation required in programming the SLM. Three of the seven beams displayed can be used as independently controllable beams.

Decker, Arthur J.↗
DOE OSTI2024

Analytic amplitudes for a pair of Higgs bosons in association with three partons

The pair production of Higgs bosons at the LHC can give information about the triple Higgs boson coupling. We perform an analytic one-loop calculation of the amplitudes for a pair of Higgs bosons in association with three partons, retaining the exact dependence on the quark mass circulating in the loop. These amplitudes constitute the real radiation corrections in the calculation of Higgs boson pair production at next-to-leading order in the strong coupling. The results of an analytic generalised-unitarity computation are simplified via analytic reconstruction in spinor variables. Compact ansätze for kinematic pole residues are iteratively fitted via p-adic evaluations near said poles and subtracted until no pole remains. A new ansatz construction is introduced to minimally parametrise coefficients of amplitudes with multiple massive external legs. The simplified expressions are faster to evaluate than automatic codes and can lead to more stable results near singular regions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2001

Quantitative molecular characterization of bovine vitreous and lens with non-invasive dynamic light scattering

The non-invasive technique of dynamic light scattering (DLS) was used to quantitatively characterize vitreous and lens structure on a molecular level by measuring the sizes of the predominant particles and mapping the three-dimensional topographic distribution of these structural macromolecules in three spatial dimensions. The results of DLS measurements in five fresh adult bovine eyes were compared to DLS measurements in model solutions of hyaluronan (HA) and collagen (Coll). In the bovine eyes DLS measurements were obtained from excised samples of gel and liquid vitreous and compared to the model solutions. Measurements in whole vitreous were obtained at multiple points posterior to the lens to generate a three-dimensional 'map' of molecular structure. The macromolecule distribution in bovine lens was similarly characterized.In each bovine vitreous (Bo Vit) specimen, DLS predominantly detected two distinct particles, which differed in diffusion properties and hence size. Comparisons with model vitreous solutions demonstrated that these most likely corresponded to the Coll and HA components of vitreous. Three-dimensional mapping of Bo Vit found heterogeneity throughout the vitreous body, with different particle size distributions for Coll and HA at different loci. In contrast, the three-dimensional distribution of lens macromolecules was more homogeneous. Thus, the non-invasive DLS technique can quantitate the average sizes of vitreous and lens macromolecules and map their three-dimensional distribution. This method to assess quantitatively the macromolecular structure of vitreous and lens should be useful for clinical as well as experimental applications in health and disease. Copyright 2001 Academic Press.

Models, Molecular↗
DOE OSTI2022

SAXS analysis of the intrinsic tenase complex bound to a lipid nanodisc highlights intermolecular contacts between factors VIIIa/IXa

Abstract The intrinsic tenase (Xase) complex, formed by factors (f) VIIIa and fIXa, forms on activated platelet surfaces and catalyzes the activation of factor X to Xa, stimulating thrombin production in the blood coagulation cascade. The structural organization of the membrane-bound Xase complex remains largely unknown, hindering our understanding of the structural underpinnings that guide Xase complex assembly. Here, we aimed to characterize the Xase complex bound to a lipid nanodisc with biolayer interferometry (BLI), Michaelis–Menten kinetics, and small-angle X-ray scattering (SAXS). Using immobilized lipid nanodiscs, we measured binding rates and nanomolar affinities for fVIIIa, fIXa, and the Xase complex. Enzyme kinetic measurements demonstrated the assembly of an active enzyme complex in the presence of lipid nanodiscs. An ab initio molecular envelope of the nanodisc-bound Xase complex allowed us to computationally model fVIIIa and fIXa docked onto a flexible lipid membrane and identify protein–protein interactions. Our results highlight multiple points of contact between fVIIIa and fIXa, including a novel interaction with fIXa at the fVIIIa A1–A3 domain interface. Lastly, we identified hemophilia A/B-related mutations with varying severities at the fVIIIa/fIXa interface that may regulate Xase complex assembly. Together, our results support the use of SAXS as an emergent tool to investigate the membrane-bound Xase complex and illustrate how mutations at the fVIIIa/fIXa dimer interface may disrupt or stabilize the activated enzyme complex.

Hematology↗