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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Nonperturbative comparison of clover and highly improved staggered quarks in lattice QCD and the properties of the Φ meson

Here, we compare correlators for pseudoscalar and vector mesons made from valence strange quarks using the clover quark and highly improved staggered quark (HISQ) formalisms in full lattice QCD. We use fully nonperturbative methods to normalise vector and axial vector current operators made from HISQ quarks, clover quarks and from combining HISQ and clover fields. This allows us to test expectations for the renormalisation factors based on perturbative QCD, with implications for the error budget of lattice QCD calculations of the matrix elements of clover-staggered $b$-light weak currents, as well as further HISQ calculations of the hadronic vacuum polarisation. We also compare the approach to the (same) continuum limit in clover and HISQ formalisms for the mass and decay constant of the $\phi$ meson. Our final results for these parameters, using single-meson correlators and neglecting quark-line disconnected diagrams are: $m_{\phi} =$ 1.023(5) GeV and $f_{\phi} = $ 0.238(3) GeV in good agreement with experiment. These results come from calculations in the HISQ formalism using gluon fields that include the effect of $u$, $d$, $s$ and $c$ quarks in the sea with three lattice spacing values and $m_{u/d}$ values going down to the physical point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

SAXS Assistant: Automated SAXS analysis for structural discovery in biologics and polymeric nanoparticles

Small-angle x-ray scattering (SAXS) is a powerful technique for assessing macromolecular structure. High-throughput SAXS is limited by the time-consuming and, at times, subjective nature of SAXS data interpretation. Here, we present SAXS Assistant, a Python-based script that streamlines SAXS data analysis to extract features for machine learning (ML) and key structural parameters, including the Guinier radius of gyration (R g ), pair distance distribution function (PDDF)-derived R g , maximum particle dimension (D max ), and Kratky plots. The script builds upon BioXTAS RAW and validates reliability via Guinier/PDDF R g agreement, an important indicator of well-measured data sets. For assistance in D max estimation, a multilayer perceptron regressor was trained with 1940 data files from the Small Angle Scattering Biological Data Bank. The model achieved a test set performance R 2 = 0.90 and mean absolute error = 11.7 Å. Training exclusively with experimental data translates analyses from researchers, including experts in the field, to the ML model, which helps assess D max estimations from PDDF. Gaussian mixture model clustering was implemented to classify profiles into structural classes based on entries in the Small Angle Scattering Biological Data Bank. Users may therefore assess the similarity between experimental samples and known biomolecular shapes within the mapped repository entries. This probabilistic clustering aids in quantifying information from Kratky and generating shape-descriptive features. SAXS Assistant accelerates SAXS data analysis through enforced quality control, ML-ready outputs, and flags for low-confidence results. In addition to providing the ability to analyze large data sets at high throughput, this tool is versatile and may serve researchers in both biological and synthetic polymer research fields.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sprain energy consequences for damage localization and fracture mechanics

The 2023 smooth Lagrangian Crack-Band Model (slCBM), inspired by the 2020 invention of the gap test, prevented spurious damage localization during fracture growth by introducing the second gradient of the displacement field vector, named the “sprain,” as the localization limiter. The key idea was that, in the finite element implementation, the displacement vector and its gradient should be treated as independent fields with the lowest ( C 0 ) continuity, constrained by a second-order Lagrange multiplier tensor. Coupled with a realistic constitutive law for triaxial softening damage, such as microplane model M7, the known limitations of the classical Crack Band Model were eliminated. Here, we show that the slCBM closely reproduces the size effect revealed by the gap test at various crack-parallel stresses. To describe it, we present an approximate corrective formula, although a strong loading-path dependence limits its applicability. Except for the rare case of zero crack-parallel stresses, the fracture predictions of the line crack models (linear elastic fracture mechanics, phase-field, extended finite element method (XFEM), cohesive crack models) can be as much as 100% in error. We argue that the localization limiter concept must be extended by including the resistance to material rotation gradients. We also show that, without this resistance, the existing strain-gradient damage theories may predict a wrong fracture pattern and have, for Mode II and III fractures, a load capacity error as much as 55%. Finally, we argue that the crack-parallel stress effect must occur in all materials, ranging from concrete to atomistically sharp cracks in crystals.

Science & Technology - Other Topics↗
DOE OSTI2024

Machine Learning-Enabled Image Classification for Automated Electron Microscopy

Abstract Traditionally, materials discovery has been driven more by evidence and intuition than by systematic design. However, the advent of “big data” and an exponential increase in computational power have reshaped the landscape. Today, we use simulations, artificial intelligence (AI), and machine learning (ML) to predict materials characteristics, which dramatically accelerates the discovery of novel materials. For instance, combinatorial megalibraries, where millions of distinct nanoparticles are created on a single chip, have spurred the need for automated characterization tools. This paper presents an ML model specifically developed to perform real-time binary classification of grayscale high-angle annular dark-field images of nanoparticles sourced from these megalibraries. Given the high costs associated with downstream processing errors, a primary requirement for our model was to minimize false positives while maintaining efficacy on unseen images. We elaborate on the computational challenges and our solutions, including managing memory constraints, optimizing training time, and utilizing Neural Architecture Search tools. The final model outperformed our expectations, achieving over 95% precision and a weighted F-score of more than 90% on our test data set. This paper discusses the development, challenges, and successful outcomes of this significant advancement in the application of AI and ML to materials discovery.

Materials Science↗
DOE OSTI2016

REDUCED ACTIVITY AND LARGE PARTICLES FROM THE DISINTEGRATING PLANET CANDIDATE KIC 12557548b

The intriguing exoplanet candidate KIC 12557548b is believed to have a comet-like tail of dusty debris trailing a small rocky planet. The tail of debris scatters up to 1.3% of the stellar light in the Kepler observatory’s bandpass (0.42–0.9 μ m). Observing the tail’s transit depth at multiple wavelengths can reveal the composition and particle size of the debris, constraining the makeup and lifetime of the sub-Mercury planet. Early dust particle size predictions from the scattering of the comet-like tail pointed toward a dust size of ∼0.1 μ m for silicate compositions. These small particles would produce a much deeper optical transit depth than near-infrared transit depth. We measure a transmission spectrum for KIC 12557548b using the SpeX spectrograph (covering 0.8–2.4 μ m) simultaneously with the MORIS imager taking r ′ (0.63 μ m) photometry on the Infrared Telescope Facility for eight nights and one night in H band (1.63 μ m) using the Wide-field IR Camera at the Palomar 200 inch telescope. The infrared spectra are plagued by systematic errors, but we argue that sufficient precision is obtained when using differential spectroscopic calibration when combining multiple nights. The average differential transmission spectrum is flat, supporting findings that KIC 12557548b’s debris is likely composed of larger particles ≳0.5 μ m for pyroxene and olivine and ≳0.2 μ m for iron and corundum. The r ′ photometric transit depths are all below the average Kepler value, suggesting that the observations occurred during a weak period or that the mechanisms producing optical broadband transit depths are suppressed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

GPI Spectra of HR 8799 c, d, and e from 1.5 to 2.4 μm with KLIP Forward Modeling

We explore KLIP forward modeling spectral extraction on Gemini Planet Imager coronagraphic data of HR 8799, using PyKLIP, and show algorithm stability with varying KLIP parameters. We report new and re-reduced spectrophotometry of HR 8799 c, d, and e in the H and K bands. We discuss a strategy for choosing optimal KLIP PSF subtraction parameters by injecting simulated sources and recovering them over a range of parameters. The K1/K2 spectra for HR 8799 c and d are similar to previously published results from the same data set. We also present a K-band spectrum of HR 8799 e for the first time and show that our H-band spectra agree well with previously published spectra from the VLT/SPHERE instrument. We show that HR 8799 c and d show significant differences in their H and K spectra, but do not find any conclusive differences between d and e, nor between c and e, likely due to large error bars in the recovered spectrum of e. Compared to M-, L-, and T-type field brown dwarfs, all three planets are most consistent with mid- and late-L spectral types. All objects are consistent with low gravity, but a lack of standard spectra for low gravity limit the ability to fit the best spectral type. We discuss how dedicated modeling efforts can better fit HR 8799 planets’ near-IR flux, as well as how differences between the properties of these planets can be further explored.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Precision voltage division without precision parts

Active voltage divider applies different logic signals to field-effect transistor switches to generate various voltage levels at output. Circuit is compact and reduces errors from drifting component values.

Strange, M. G.↗
NASA NTRS1980

Errors incurred in a plane-wave-type expansion of a Gaussian beam

The multipole expansion obtained by Morita et al. (1968) of the Gaussian laser beam used to levitate an aerosol particle in order that its complete phase matrix may be measured is compared with that of Tsai and Pogorzelski (1975) in order to demonstrate the effect of the incorrect expansion used by Morita. Errors incurred by the use of an equation in which one side satisfies the scalar wave equation while the other side does not and can be reduced to a plane wave amplitude are calculated as functions of the inverse of the wave number times the beam waist, the wave number times the radial spherical coordinate and the angular spherical coordinate. Errors on the order of a few percent, considered undetectable are obtained in the squared-field amplitudes due to the expansion, however, they are found to become significant (several tens of percent) when the angle is zero. It is concluded that the expansion of Morita should only be used in the regions where the spherical angle is less than 0.01 and its product with the wave number and the radial spherical coordinate is less than unity.

Kattawar, G. W.↗
NASA NTRS1981

An operations manual for the Spinning Mode Synthesizer in the Langley Aircraft Noise Reduction Laboratory

The need for a dependable and controllable noise source and the consequent development of the Spinning Mode Synthesizer (SMS) is discussed. Configuration of the SMS incorporated into the flow duct facility is reported. Turbofan noise is composed of a series of fundamental acoustical modes, which are produced by acoustic drivers equispaced circumferentially around the flow duct. Pressure field is compared to an ideal result in an optimization algorithm, adjusting driver settings until system error is minimized. The following items are included: operating instructions, a detailed description of the system, and a user's guide to data acquisition packages available.

Palumbo, D. L.↗
NASA NTRS1981

A computer program for the simulation of heat and moisture flow in soils

A computer program that simulates the flow of heat and moisture in soils is described. The space-time dependence of temperature and moisture content is described by a set of diffusion-type partial differential equations. The simulator uses a predictor/corrector to numerically integrate them, giving wetness and temperature profiles as a function of time. The simulator was used to generate solutions to diffusion-type partial differential equations for which analytical solutions are known. These equations include both constant and variable diffusivities, and both flux and constant concentration boundary conditions. In all cases, the simulated and analytic solutions agreed to within the error bounds which were imposed on the integrator. Simulations of heat and moisture flow under actual field conditions were also performed. Ground truth data were used for the boundary conditions and soil transport properties. The qualitative agreement between simulated and measured profiles is an indication that the model equations are reasonably accurate representations of the physical processes involved.

Camillo, P.↗
NASA NTRS1983

Analytical calculation of a single jet in cross-flow and comparison with experiment

A series of progressively finer grid systems to calculate the single jet in cross-flow experimentally measured were employed. The experimental measurements provide a collection of velocities, turbulence intensities, and jet concentration profiles with measurements of the inlet field. The use of a series of progressively finer grid systems allows a differentiation between numerical errors and the hydrodynamic modeling assumptions embodied in the 3D combustor code.

Claus, R. W.↗
NASA NTRS1985

Navigation systems

The elements of the measurement and communications network comprising the global deep space navigation system (DSN) for NASA missions are described. Among the measurement systems discussed are: VLBI, two-way Doppler and range measurements, and optical measurements carried out on board the spacecraft. Processing of navigation measurement is carried out using two modules: an N-body numerical integration of the trajectory (and state transition partial derivatives) based on pre-guessed initial conditions; and partial derivatives of simulated observables corresponding to each actual observation. Calculations of velocity correction parameters is performed by precise modelling of all physical phenomena influencing the observational measurements, including: planetary motions; tracking station locations, gravity field structure, and transmission media effects. Some of the contributions to earth-relative orbit estimate errors for the Doppler/range system on board Voyager are discussed in detail. A line drawing of the DSN navigation system is provided.

Jordan, J. F.↗
NASA NTRS1986

Statistical corrections to numerical predictions. IV

The National Meteorological Center Barotropic-Mesh Model has been used to test a statistical correction procedure, designated as M-II, that was developed in Schemm et al. (1981). In the present application, statistical corrections at 12 h resulted in significant reductions of the mean-square errors of both vorticity and the Laplacian of thickness. Predictions to 48 h demonstrated the feasibility of applying corrections at every 12 h in extended forecasts. In addition to these improvements, however, the statistical corrections resulted in a shift of error from smaller to larger-scale motions, improving the smallest scales dramatically but deteriorating the largest scales. This effect is shown to be a consequence of randomization of the residual errors by the regression equations and can be corrected by spatially high-pass filtering the field of corrections before they are applied.

Schemm, Jae-Kyung↗
NASA NTRS1990

The influence of atmospheric stratification on scatterometer winds

Scatterometers measure surface roughness which is empirically related either to surface stress or to the equivalent neutral stability wind. The importance of atmospheric stability effects for the analysis of these data is studied. For low wind speeds and neutral to slightly stable conditions, neutral stability wind is quite sensitive to stability. A variational analysis procedure for the scatterometer data, which adjusts both the near-surface velocity and temperature, is developed. In simulation tests, temperature analysis increments are found to be small. Also, the differences in the wind analyses due to differences in the temperature background field are small. However, if stability effects are not accounted for, there will be small systematic errors in the wind analysis.

Hoffman, Ross N.↗
NASA NTRS1992

A preliminary study of the variability and magnitude of the flux of biogenic sulfur gases from a New Hampshire salt marsh

Salt marshes have highly variable spatial and temporal fluxes of hydrogen sulfide, carbonyl sulfide, methane thiol, dimethyl sulfide, and carbon disulfide (H2S, COS, MeSH, DMS, and CS2, respectively). This variability was tested at nine emission sites in a New Hampshire, USA salt marsh: three replicates in each of three vegetation zones, Spartina alterniflora, S. patens, and a transition zone. Three sites were sampled simultaneously, either within or across vegetation zones, using a dynamic flux chamber technique. Difficulties with calibration and field equipment resulted in fluxes with maximum absolute uncertainties of greater than plus or minus 200 percent. However, the relative uncertainty between subsequent samples was closer to plus or minus 20 percent. Chambers are expected to affect the natural flux of gases by altering the humidity, temperature, and composition of the gas inside the chamber. Summertime fluxes are highest for all gases except COS which demonstrated evidence of a springtime peak. A summertime background flux of 5 to 100 x 10(exp -9) g S/m(sup -2) min was observed for all gases, while S alternifora fluxes of MeSH and DMS were approximately 8 fold and approximately 100 fold higher than S. patens, respectively. DMS and MeSH fluxes were higher during the day than at night. Evidence of COS uptake by plants was observed. CS2 appeared to be the quantitatively least important sulfur gas emitted. Improved laboratory and sample collection techniques and further data collection in the field will yield information on the details of salt marsh variability, will improve estimates of the error associated with single flux measurements, and will allow a more accurate estimation of sulfur fluxes from salt marshes based on vegetation and area coverage data. Inability to control the temperature and humidity inside of the chamber remain significant problems with the chamber design.

Morrison, Michael Cope↗
NASA NTRS1997

Estimation of Bare Surface Soil Moisture and Surface Roughness Parameter Using L-Band SAR Image Data

An algorithm based on a fit of the single-scattering Integral Equation Method (IEM) was developed to provide estimation of soil moisture and surface roughness parameter (a combination of rms roughness height and surface power spectrum) from quasi-polarized synthetic aperture radar (SAR) measurements. This algorithm was applied to a series of measurements acquired at L-band (1.25 GHz) from both AIRSAR (Airborne Synthetic Aperture Radar operated by Jet Propulsion Laboratory) and SIR-C (Spaceborne Imaging Radar-C) over a well-managed watershed in southwest Oklahoma. It was found that the two co-polarized backscattering coefficients and their combinations would provide the best input to the algorithm for estimation of soil moisture and roughness parameter. Application of the inversion algorithm to the co-polarized measurements of both AIRSAR and SIR-C resulted in estimated values of soil moisture and roughness parameter for bare and short-vegetated fields that compared favorably with those sampled on the ground. The root-mean-square (rms) errors of the comparison were found to be 3.4% and 1.9 dB for soil moisture and surface roughness parameter, respectively.

Shi, Jian-Cheng↗
NASA NTRS1997

Estimation of Bare Surface Soil Moisture and Surface Roughness Parameter Using L-Band SAR Image Data

An algorithm based on a fit of the single-scattering Integral Equation Method (IEM) was developed to provide estimation of soil moisture and surface roughness parameter (a combination of rms roughness height and surface power spectrum) from quad-polarized synthetic aperture radar (SAR) measurements. This algorithm was applied to a series of measurements acquired at L-band (1.25 GHz) from both AIRSAR (Airborne Synthetic Aperture Radar operated by the Jet Propulsion Laboratory) and SIR-C (Spaceborne Imaging Radar-C) over a well- managed watershed in southwest Oklahoma. Prior to its application for soil moisture inversion, a good agreement was found between the single-scattering IEM simulations and the L band measurements of SIR-C and AIRSAR over a wide range of soil moisture and surface roughness conditions. The sensitivity of soil moisture variation to the co-polarized signals were then examined under the consideration of the calibration accuracy of various components of SAR measurements. It was found that the two co-polarized backscattering coefficients and their combinations would provide the best input to the algorithm for estimation of soil moisture and roughness parameter. Application of the inversion algorithm to the co-polarized measurements of both AIRSAR and SIR-C resulted in estimated values of soil moisture and roughness parameter for bare and short-vegetated fields that compared favorably with those sampled on the ground. The root-mean-square (rms) errors of the comparison were found to be 3.4% and 1.9 dB for soil moisture and surface roughness parameter, respectively.

Shi, Jian-Cheng↗
NASA NTRS2000

Statistics Analysis of the Uncertainties in Cloud Optical Depth Retrievals Caused by Three-Dimensional Radiative Effects

This paper presents a simple approach to estimate the uncertainties that arise in satellite retrievals of cloud optical depth when the retrievals use one-dimensional radiative transfer theory for heterogeneous clouds that have variations in all three dimensions. For the first time, preliminary error bounds are set to estimate the uncertainty of cloud optical depth retrievals. These estimates can help us better understand the nature of uncertainties that three-dimensional effects can introduce into retrievals of this important product of the MODIS instrument. The probability distribution of resulting retrieval errors is examined through theoretical simulations of shortwave cloud reflection for a wide variety of cloud fields. The results are used to illustrate how retrieval uncertainties change with observable and known parameters, such as solar elevation or cloud brightness. Furthermore, the results indicate that a tendency observed in an earlier study, clouds appearing thicker for oblique sun, is indeed caused by three-dimensional radiative effects.

Varnai, Tamas↗