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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Interaction between a normal shock wave and a turbulent boundary layer at high transonic speeds. II - Wall shear stress

Asymptotic methods are used to calculate the shear stress at the wall for the interaction between a normal shock wave and a turbulent boundary layer on a flat plate. A mixing length model is used for the eddy viscosity. The shock wave is taken to be strong enough that the sonic line is deep in the boundary layer and the upstream influence is thus very small. It is shown that unlike the result found for laminar flow an asymptotic criterion for separation is not found; however, conditions for incipient separation are computed numerically using the derived solution for the shear stress at the wall. Results are compared with available experimental measurements.

Liou, M. S.↗
NASA NTRS2002

Probabilistic and Possibilistic Analyses of the Strength of a Bonded Joint

The effects of uncertainties on the predicted strength of a single lap shear joint are examined. Probabilistic and possibilistic methods are used to account for uncertainties. A total of ten variables are assumed to be random, with normal distributions. Both Monte Carlo Simulation and the First Order Reliability Method are used to determine the probability of failure. Triangular membership functions with upper and lower bounds located at plus or minus three standard deviations are used to model uncertainty in the possibilistic analysis. The alpha cut (or vertex) method is used to evaluate the possibility of failure. Linear and geometrically nonlinear finite element analyses are used calculate the response of the joint; fracture in the adhesive and material strength failure in the strap are used to evaluate its strength. Although probabilistic and possibilistic analyses provide significantly more information than do conventional deterministic analyses, they are computationally expensive. A novel scaling approach is developed and used to substantially reduce the computational cost of the probabilistic and possibilistic analyses. The possibilistic approach for treating uncertainties appears to be viable during the conceptual and preliminary design stages when limited data are available and high accuracies are not needed. However, this viability is mixed with several cautions that are discussed herein.

Stroud, W. Jefferson↗
DOE OSTI2022

Frictional Contacts Between Individual Woody Biomass Particles under Wet and Dry Conditions

Friction between wood particles can be a critical property when designing processing equipment for creating cellulosic biofuels and similar natural products. Also, as wood processing is likely to occur year-round, understanding the friction between wet as well as dry wood particles can help design and model equipment, such as screw feeders. Here, a tribo-rheometry method was developed using a commercial rheometer that measured the torque required to rotate two contacting millimeter-scale wood chip particles. First, a range of normal forces were used to find the limits of the experimental method. Torque values were measured for seven pairs of wood chip particles at 1 N normal force under both dry and wet conditions, at both ambient conditions and in a humidity-controlled chamber. The torque required to rotate the wet particles was consistently higher than that of the dry particles, although differences were not quite statistically significant when measurements were performed at ambient conditions. Using humidity control resulted in torque values for wet particles of 1900 uNm and 900 uNm for dry particles. Finally, the friction coefficient was calculated as 0.23 for wet particles and 0.11 for dry particles when humidity was controlled. These frictions coefficients agreed with values for wood reported in the literature. Overall, controlling humidity is strongly recommended to quantify the range of friction for particles that uptake water, including granular systems from biomass to food to powders.

biomass↗
DOE OSTI2019

Ground-Truth Prediction to Accelerate Soft-Error Impact Analysis for Iterative Methods

Understanding the impact of soft errors on applications can be expensive. Often, it requires an extensive error injection campaign involving numerous runs of the full application in the presence of errors. In this paper, we present a novel approach to arriving at the ground truth--the true impact of an error on the final output--for iterative methods by observing a small number of iterations to learn deviations between normal and error-impacted execution. We develop a machine learning based predictor for three iterative methods to generate ground-truth results without running them to completion for every error injected. We demonstrate that this approach achieves greater accuracy than alternative prediction strategies, including three existing soft error detection strategies. We demonstrate the effectiveness of the ground truth prediction model in evaluating vulnerability and the effectiveness of soft error detection strategies in the context of iterative methods.

iterative methods, failure prediction, Soft error ↗
NASA NTRS2009

Processing Electromyographic Signals to Recognize Words

A recently invented speech-recognition method applies to words that are articulated by means of the tongue and throat muscles but are otherwise not voiced or, at most, are spoken sotto voce. This method could satisfy a need for speech recognition under circumstances in which normal audible speech is difficult, poses a hazard, is disturbing to listeners, or compromises privacy. The method could also be used to augment traditional speech recognition by providing an additional source of information about articulator activity. The method can be characterized as intermediate between (1) conventional speech recognition through processing of voice sounds and (2) a method, not yet developed, of processing electroencephalographic signals to extract unspoken words directly from thoughts. This method involves computational processing of digitized electromyographic (EMG) signals from muscle innervation acquired by surface electrodes under a subject's chin near the tongue and on the side of the subject s throat near the larynx. After preprocessing, digitization, and feature extraction, EMG signals are processed by a neural-network pattern classifier, implemented in software, that performs the bulk of the recognition task as described.

Jorgensen, C. C.↗
DOE OSTI2026

Detector alignment for X-ray crystallography using Millepede-II

I describe a method for accurately refining the geometrical parameters of segmented X-ray area detectors on the basis of serial crystallography data, using 'Millepede' – an algorithm created for a very similar problem in high-energy physics. The Millepede method for serial crystallography builds on the approach of Brewster et al. [Acta Cryst. (2018), D74, 877–894], in which the detector parameters are refined simultaneously with the parameters for each individual crystal. This accounts for the mutual dependency between the parameters and thereby avoids the bias and slow convergence problems that have afflicted older approaches in which the deviations between observed and calculated Bragg peak positions were taken directly as the updates for the detector panel positions. The Millepede method uses the special structure of the least-squares normal equations to reduce them to a much smaller form that can be solved very quickly, even compared with the sparse matrix methods used previously. This makes it practical to refine the detector geometry frequently and thereby maintain accurate calibration without specialized alignment campaigns. Tilts of detector panels out of the plane can be reliably refined, as can the overall distance of the detector in the beam direction. With a simulated test case, the new method produced panel shifts within 7% of the correct values with only one iteration, and produced almost exactly correct shifts after a second iteration. A simulated out-of-plane panel rotation was correctly determined to within 0.001°. Applied to experimental data from an X-ray free-electron laser, the method increased the indexable fraction of frames from 30% to 91% in a single iteration, and to 96% after two further iterations. Computing the geometry updates on the basis of 2060 crystals took only 0.819 s on desktop computing hardware, including the time taken to read the required data from disk. The scaling was found to be very close to linear for up to 100 980 sets of crystal parameters, which took only 78.2 s to process under the same conditions. The method has been applied as part of a real-time feedback system at a synchrotron radiation beamline, in which an out-of-plane detector tilt of 0.04° was detected and corrected. Possible further applications are also described here.

Millepede-II↗
NASA NTRS1987

An L-U implicit multigrid algorithm for the three-dimensional Euler equations

An LU implicit multigrid scheme is developed for the calculation of three-dimensional transonic flow through rotating cascades. This numerical method solves the unsteady Euler equations of gas dynamics in a finite-volume form. The implicit scheme makes it possible to take a much larger time step than is normally permitted in most explicit schemes, while the multigrid method is incorporated to accelerate the convergence rate for steady state calculations. Using this method, computational storage requirements are comparable to those of explicit schemes, while operation counts are considerably less than those found in the more widely-used ADI schemes.

Yokota, Jeffrey W.↗
NASA NTRS1994

Efficient Updating of Model Parameters Using Modal Coordinates

Model correlation methods based on iterative modification of physical model parameters have been used with frequent success. The cost and time to perform these methods is driven mostly by the need to recompute normal modes and parameter sensitivities from the full finite element model after each adjustment.

modal↗
NASA NTRS1972

Compressible boundary layer with normal pressure gradients: Quasi-similarity equations - Their properties at the wall and at sharp and blunt leading edges.

The failure of most viscous-inviscid interaction methods at strong interactions is attributed to the presence of a normal pressure gradient. A new theory is proposed for supersonic laminar boundary layers that can generate normal pressure gradients. The Navier-Stokes equations are reexamined by an order of magnitude analysis and all first and second order terms are retained. The approximation is found to be dependent not only on the boundary layer thickness but also on the ratio of the dimensionless viscosity and density. The equations are transformed into two quasi-similar, nonlinear, third order, ordinary integro-differential equations for the velocity and pressure as functions of a single transverse variable. The properties of the equations at the boundaries are discussed.

Seginer, A.↗
NASA NTRS1954

Analytical Study of Losses at Off-design Conditions for a Fixed Geometry Turbine

An analytical investigation was made to determine the off-design loss characteristics of a fixed-geometry turbine of which the experimental performance was known. The method of analysis utilized an effective loss parameter and assumed that the velocity normal to the blade entrance angle was lost as a total-pressure loss. The method also assumed constant tangential component of velocity between the station just upstream and just downstream of the stator and rotor trailing edge. Good correlation between the analytically and experimentally obtained performance was found over the entire map until limiting loading was approached. The large decrease in efficiency at low-speed high pressure ratios and at high-speed low pressure ratios was found in the analysis to be almost entirely due to the rotor incidence and turbine exit whirl losses. From the results of the investigation it was concluded that for turbines designed to operate efficiently at more than one point, the design must compromise rotor incidence angle and exit whirl losses.

Stewart, Warner L↗
DOE OSTI2022

Large Scale Study of Ligand–Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols

The accurate and reliable prediction of protein–ligand binding affinities can play a central role in the drug discovery process as well as in personalized medicine. Of considerable importance during lead optimization are the alchemical free energy methods that furnish an estimation of relative binding free energies (RBFE) of similar molecules. Recent advances in these methods have increased their speed, accuracy, and precision. This is evident from the increasing number of retrospective as well as prospective studies employing them. However, such methods still have limited applicability in real-world scenarios due to a number of important yet unresolved issues. Here, we report the findings from a large data set comprising over 500 ligand transformations spanning over 300 ligands binding to a diverse set of 14 different protein targets which furnish statistically robust results on the accuracy, precision, and reproducibility of RBFE calculations. We use ensemble-based methods which are the only way to provide reliable uncertainty quantification given that the underlying molecular dynamics is chaotic. These are implemented using TIES (Thermodynamic Integration with Enhanced Sampling). Results achieve chemical accuracy in all cases. Ensemble simulations also furnish information on the statistical distributions of the free energy calculations which exhibit non-normal behavior. We find that the “enhanced sampling” method known as replica exchange with solute tempering degrades RBFE predictions. We also report definitively on numerous associated alchemical factors including the choice of ligand charge method, flexibility in ligand structure, and the size of the alchemical region including the number of atoms involved in transforming one ligand into another. Our findings provide a key set of recommendations that should be adopted for the reliable application of RBFE methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Analysis of complex elastic structures by a Rayleigh-Ritz component modes method using Lagrange multipliers

The free vibrations of elastic structures of arbitrary complexity were analyzed in terms of their component modes. The method was based upon the use of the normal unconstrained modes of the components in a Rayleigh-Ritz analysis. The continuity conditions were enforced by means of Lagrange Multipliers. Examples of the structures considered are: (1) beams with nonuniform properties; (2) airplane structures with high or low aspect ratio lifting surface components; (3) the oblique wing airplane; and (4) plate structures. The method was also applied to the analysis of modal damping of linear elastic structures. Convergence of the method versus the number of modes per component and/or the number of components is discussed and compared to more conventional approaches, ad-hoc methods, and experimental results.

Klein, L. R.↗
DOE OSTI2021

Spatially Quasi-Periodic Water Waves of Infinite Depth

Abstract We formulate the two-dimensional gravity-capillary water wave equations in a spatially quasi-periodic setting and present a numerical study of solutions of the initial value problem. We propose a Fourier pseudo-spectral discretization of the equations of motion in which one-dimensional quasi-periodic functions are represented by two-dimensional periodic functions on a torus. We adopt a conformal mapping formulation and employ a quasi-periodic version of the Hilbert transform to determine the normal velocity of the free surface. Two methods of time-stepping the initial value problem are proposed, an explicit Runge–Kutta (ERK) method and an exponential time-differencing (ETD) scheme. The ETD approach makes use of the small-scale decomposition to eliminate stiffness due to surface tension. We perform a convergence study to compare the accuracy and efficiency of the methods on a traveling wave test problem. We also present an example of a periodic wave profile containing vertical tangent lines that is set in motion with a quasi-periodic velocity potential. As time evolves, each wave peak evolves differently, and only some of them overturn. Beyond water waves, we argue that spatial quasi-periodicity is a natural setting to study the dynamics of linear and nonlinear waves, offering a third option to the usual modeling assumption that solutions either evolve on a periodic domain or decay at infinity.

Wilkening, Jon (ORCID:0000000327827596)↗
DOE OSTI2023

Guided construction of single cell reference for human and mouse lung

Accurate cell type identification is a key and rate-limiting step in single-cell data analysis. Single-cell references with comprehensive cell types, reproducible and functionally validated cell identities, and common nomenclatures are much needed by the research community for automated cell type annotation, data integration, and data sharing. Here, we develop a computational pipeline utilizing the LungMAP CellCards as a dictionary to consolidate single-cell transcriptomic datasets of 104 human lungs and 17 mouse lung samples to construct LungMAP single-cell reference (CellRef) for both normal human and mouse lungs. CellRefs define 48 human and 40 mouse lung cell types catalogued from diverse anatomic locations and developmental time points. We demonstrate the accuracy and stability of LungMAP CellRefs and their utility for automated cell type annotation of both normal and diseased lungs using multiple independent methods and testing data. We develop user-friendly web interfaces for easy access and maximal utilization of the LungMAP CellRefs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Piezoelectric property of PZT nanofibers characterized by resonant piezo-force microscopy

Nano-piezoelectric materials have drawn tremendous research interest. However, characterization of their piezoelectric properties, especially measuring the piezoelectric strain coefficients, remains a challenge. Normally, researchers use an AFM-based method to directly measure nano-materials’ piezoelectric strain coefficients. But, the extremely small piezoelectric deformation, the influence from the parasitic electrostatic force, and the environmental noise make the measurement results questionable. In this paper, a resonant piezo-force microscopy method was used to accurately measure the piezoelectric deformation from 1D piezoelectric nanofibers. During the experiment, the AFM tip was brought into contact with the piezoelectric sample and set to work at close to its first resonant frequency. A lock-in amplifier was used to pick up the sample’s deformation signal at the testing frequency. By using this technique, the piezoelectric strain constant d 33 of the Lead Zirconate Titanate (PZT) nanofiber with a diameter of 76 nm was measured. The result showed that d 33 of this PZT nanofiber was around 387 pm/V. Meanwhile, by tracking the piezoelectric deformation phase image, domain structures inside PZT nanofibers were identified.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impact of the Li 6 asymptotic normalization constant onto α -induced reactions of astrophysical interest

Indirect methods have become the predominant approach in experimental nuclear astrophysics for studying several low-energy nuclear reactions occurring in stars, as direct measurements of many of these relevant reactions are rendered infeasible due to their low reaction probability. Such indirect methods, however, require theoretical input that in turn can have significant poorly quantified uncertainties, which can then be propagated to the reaction rates and have a large effect on our quantitative understanding of stellar evolution and nucleosynthesis processes. Here we present two such examples involving α-induced reactions, 13 C (α,n)⁢ 16 O and 12 C (α,γ)⁢ 16 O, for which the low-energy cross sections have been constrained with ( 6 Li,d) transfer data. In this Letter, we discuss how a first-principle calculation of 6 Li leads to a 21% reduction of the 12 C⁡(α,γ) ⁢ 16 O cross sections with respect to a previous estimation. This calculation further resolves the discrepancy between recent measurements of the 13 C (α,n)⁢ 16 O reaction and points to the need for improved theoretical formulations of nuclear reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Charged-Particle Bound States in Periodic Boxes

We consider the binding energy of a two-body system with a repulsive Coulomb interaction in a finite periodic volume. We define the finite-volume Coulomb potential as the usual Coulomb potential, except that the distance is defined the shortest separation between the two bodies in the periodic volume. We investigate this problem in one and three-dimensional periodic boxes and derive the asymptotic behavior of the volume dependence for bound states with zero angular momentum in terms of Whittaker functions. We benchmark our results against numerical calculations and show how the method can be used to extract asymptotic normalization coefficients for charged-particle bound states. Furthermore, the results we derive here have immediate applications for calculations of atomic nuclei in finite periodic volumes for the case where the leading finite-volume correction is associated with two charged clusters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

WHONDRS River Corridor Sediment and Water Geochemistry and In Situ Sensor Data from Machine-Learning-Informed Sites across the Contiguous United States (v6)

This dataset supports a broader study examining hyporheic zone respiration rates to improve predictive models at a contiguous United States (CONUS) scale. The CONUS-Scale Model-Sample Study (CM) was designed following ICON (integrated, coordinated, open, and networked) principles to facilitate a model-experiment (ModEx) iteration approach, leveraging crowdsourced sampling across the CONUS. New machine learning models were created every month to guide sampling locations. Data from the resulting samples were used to test and rebuild the machine learning models for the next round of sampling guidance. Sampling began in April 2022 and ended in October 2023. In addition to the widely distributed CONUS sites, a more spatially focused sampling occurred in the Yakima River Basin, WA in summer 2022. Data from this more spatially intensive sampling occurred under the label “Second Spatial Study (SSS)” and were also included in the machine learning models. Other data types collected from SSS that were not part of CM were published in a separate data package (https://data.ess-dive.lbl.gov/view/doi:10.15485/1969566). This data package was originally published in February 2023. It was updated in June 2023 (v2; new and modified files); December 2023 (v3; new and modified files); June 2024 (v4; new and modified files); April 2024 (v5; new and modified files); and September 2025 (v6; modified files). See the change history section in the readme for more details. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. This dataset is comprised of two folders of field photos and videos, one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) international generic sample number (IGSN) mapping file; (6) field protocols; (7) a subfolder with sample data; and (8) a subfolder with sensor data. The sample data subfolder contains (1) surface water and sediment dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data and averages; (2) surface water and sediment total nitrogen data and averages; (3) surface water major cations and anions and averages; (4) sediment grain size data; (5) sediment iron (II) data and averages; (6) wet sediment mass, dry sediment mass, water mass, and wet sediment volume in incubation and sediment ICR vials; (7) sediment incubation respiration rate data and averages; (8) normalized respiration rate data and averages; (9) methods codes; (10) sediment specific surface area; (11) sediment percent carbon and nitrogen; (12) sediment gravimetric moisture and averages; (15) sediment X-ray diffraction (XRD) data; (16) sediment adenosine triphosphate (ATP) and averages; (17) a subfolder with sediment incubation respiration data, scripts, and plots; (18) surface water and sediment FTICR methods; and (19) a subfolder of 9.4 Tesla (9.4T) FTICR-MS data. This folder contains five subfolders, one containing the sediment .xml data files, one containing the water .xml files, one containing the sediment CoreMS output files, one containing the water CoreMS output files, and the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS).The sensor data subfolder contains (1) a subfolder with miniDOT dissolved oxygen and temperature data and plots; (2) miniDOT dissolved oxygen and temperature summary data; and (3) miniDOT installation methods. All files are .csv, .pdf, .R, .xml, .d, .html, .Rmd, .py, .cal, .json, .jpg, .jpeg, .png, .mov, or .mp4. CORRECTION: Carbon and nitrogen content are reported as percentages. The current column headers "01395_C_percent_per_mg" and "01397_N_percent_per_mg" are incorrect. These should read "01395_C_percent" and "01397_N_percent" and will be corrected in the next version of this data package. We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Washington State Parks and Recreation Commission (Scientific Research Permit #210901), and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the samples labeled “SSS” were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview. WHONDRS consortium members were asked to provide any acknowledgments for the collection of samples labeled “CM” and the following is a list of acknowledgments that were submitted with their corresponding Site IDs: (MART) Research activities were conducted in part on the Wind River Experimental Forest within the Gifford Pinchot National Forest; (MP- 100379) Philadelphia is part of Lenapehoking, the ancestral homelands of the Lenape peoples; (MP-102398) Land surveyed is the ancestral homelands of the Nookhose'iinenno (Arapaho), Tsis tsis'tas (Cheyenne), and Nuuchu (Ute); (MP-100749 and MP- 100747) Georgia Coastal Ecosystem LTER, OCE-1832178; (SP-70 and SP-72) Eastern Shoshone, Shoshone-Bannock; (MP- 102944) Funded by Oregon Watershed Enhancement Board. On the traditional lands of the Confederated Tribes of the Siletz, Confederated Tribes of the Grand Rhonde, and the Clatsop-Nehalem Confederated Tribe; (MP- 100607) Holiday Creek is located on the traditional territory of the Monacan Indian Nation; (SP-45) Lafayette Blue Springs State Park; (MP-102420) NSF DEB-2016749; (MP-100019) New Hampshire Agriculture Experiment Station; (SP-35) Rayonier (land owner; https://www.rayonier.com/); (MP- 101276) US Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research, Watershed Dynamics and Evolution SFA at ORNL; (MP- 103224) Watershed Dynamics and Evolution SFA at ORNL; (MP- 101584) Traditional lands of the Oceti Sakowin (Dakota, Lakota, Nakoda) and Anishinaabe Peoples.

54 ENVIRONMENTAL SCIENCES↗