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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Distributed computer system enhances productivity for SRB joint optimization

The Programming System for Structural Synthesis software package, which couples structural analysis and optimization, has been distributed over a network of work stations for use in Space Shuttle Solid Rocket Booster joint redesign optimization. Finite difference computing techniques were applied to the optimization gradients in parallel execution, allowing several work stations to simultaneously contribute to the problem's solution. An optimal joint shape was obtained which achieves minimum weight while keeping the gap between joints well closed and limiting structural stresses. The optimization cycle was reduced from two hours to one-half hour.

Rogers, James L., Jr.↗
NASA NTRS1983

HOST structural analysis program overview

Hot section components of aircraft gas turbine engines are subjected to severe thermal structural loading conditions, especially during the start up and take off portions of the engine cycle. The most severe and damaging stresses and strains are those induced by the steep thermal gradients induced during the start up transient. These transient stresses and strains are also the most difficult to predict, in part because of the temperature gradients and distributions are not well known or readily predictable, and also because the cyclic elastic viscoplastic behavior of the materials at these extremes of temperature and strain are not well known or readily predictable. A broad spectrum of structures related technology programs is underway to address these deficiencies. One element of the structures program is developing improved time varying thermal mechanical load models for the entire engine mission cycle from start up to shutdown. Another major part of the program is the development of new and improved nonlinear 3-D finite elements and associated structural analysis programs, including the development of temporal elements with time dependent properties to account for creep effects in the materials and components.

Johns, R. H.↗
DOE OSTI2022

Effects of Intrusive Confining Units on Groundwater Flow at Pahute Mesa, Nevada National Security Site

Geological, geophysical, hydrogeological, and hydrological evidence indicates that feeder dikes to rhyolitic lava flows may play a role as confining units in the groundwater flow system underlying the Pahute Mesa (PM) area of underground nuclear testing at the Nevada National Security Site (NNSS) (Figure 1). Of geological significance, the PM testing area is largely situated within the Silent Canyon caldera complex (SCCC), which includes both tuffs and lavas that were fed by (and are connected to) intrusive rock units such as feeder dikes prior to and during volcanic eruptions (Orkild et al., 1968; Byers et al., 1976a). Groundwater modeling results presented in this report support extension of “pool-dam” and “breach scenario” concepts presented in Jackson and Fenelon (2018) and Jackson et al. (2021) to low-permeability intrusive confining units (ICUs) such as feeder dikes that are expected to dissect and ring silicic calderas. As laterally extensive, steeply-dipping, and sub-parallel planar structures, ICUs may further compartmentalize groundwater flow in some areas of the volcanic aquifer system at PM. ICUs may explain unusually high horizontal hydraulic gradient southwest of Cheshire. Breaching of an ICU within which the Cheshire test was emplaced may explain changes in water levels before and after the Cheshire test was detonated in the U-20n emplacement hole on 2/14/76 (USDOE, 2015b). This analysis of the effects of ICUs on groundwater flow at PM addresses a need to evaluate uncertainty in the conceptual model or structural aspects of hydrologic source term (HST) or corrective action unit (CAU) models for groundwater flow and contaminant transport (FFACO, 1996, as amended). At Cheshire and possibly other test locations at PM, downgradient extent of radionuclide contamination may be overpredicted by not including the confining effects of ICUs. On the other hand, contaminant extent may be underpredicted by not considering transient flow effects and/or the re-equilibrated flow field caused by breaching of an ICU by an underground nuclear test. Near Cheshire, the effects of ICUs may be most apparent and impactful to the groundwater flow system at PM because of an unusual combination of thickness, extent, and frequency of dikes transecting the saturated CHLFA4 aquifer and feeding into the overlying unsaturated rhyolite lava of Windy Wash. Chapters 2, 3, and 4 present geological, geophysical, hydrogeological, and hydrological evidence for ICUs at PM. Chapters 5 and 6 examine effects of ICUs on groundwater flow including analysis by groundwater modeling.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

Martian Polar Vortices: Comparison of Reanalyses

The structure and evolution of the Martian polar vortices is examined using two recently available reanalysis systems: version 1.0 of the Mars Analysis Correction Data Assimilation (MACDA) and a preliminary version of the Ensemble Mars Atmosphere Reanalysis System (EMARS). There is quantitative agreement between the reanalyses in the lower atmosphere, where Mars Global Surveyor (MGS) Thermal Emission Spectrometer (TES) data are assimilated, but there are differences at higher altitudes reflecting differences in the free-running general circulation model simulations used in the two reanalyses. The reanalyses show similar potential vorticity (PV) structure of the vortices: There is near-uniform small PV equatorward of the core of the westerly jet, steep meridional PV gradients on the polar side of the jet core, and a maximum of PV located off of the pole. In maps of 30 sol mean PV, there is a near-continuous elliptical ring of high PV with roughly constant shape and longitudinal orientation from fall to spring. However, the shape and orientation of the vortex varies on daily time scales, and there is not a continuous ring of PV but rather a series of smaller scale coherent regions of high PV. The PV structure of the Martian polar vortices is, as has been reported before, very different from that of Earth's stratospheric polar vortices, but there are similarities with Earth's tropospheric vortices which also occur at the edge of the Hadley Cell, and have near-uniform small PV equatorward of the jet, and a large increase of PV poleward of the jet due to increased stratification.

Waugh, D. W.↗
NASA NTRS1992

Mixing and chemical reaction in sheared and nonsheared homogeneous turbulence

Direct numerical simulations were made to examine the local structure of the reaction zone for a moderately fast reaction between unmixed species in decaying, homogeneous turbulence and in a homogeneous turbulent shear flow. Pseudospectral techniques were used in domains of 64 exp 3 and higher wavenumbers. A finite-rate, single step reaction between non-premixed reactants was considered, and in one case temperature-dependent Arrhenius kinetics was assumed. Locally intense reaction rates that tend to persist throughout the simulations occur in locations where the reactant concentration gradients are large and are amplified by the local rate of strain. The reaction zones are more organized in the case of a uniform mean shear than in isotropic turbulence, and regions of intense reaction rate appear to be associated with vortex structures such as horseshoe vortices and fingers seen in mixing layers. Concentration gradients tend to align with the direction of the most compressive principal strain rate, more so in the isotropic case.

Leonard, Andy D.↗
DOE OSTI2023

Joint Inversion of Surface Electrical Resistivity Tomography and Seismic Refraction Data between the 200 Areas

Geologic stratigraphy on the Hanford Site influences groundwater and contaminant migration through the aquifer system and the vadose zone. The current geologic framework model (GFM) relies heavily on a sparse distribution of borehole data in some locations to map geologic contacts and hydrologic properties in the subsurface. Non-invasive geophysical methods such as electrical resistivity tomography (ERT), transient electromagnetic surveying, and seismic imaging are being used at Hanford to map subsurface structure in areas with limited well observations. This is to develop and mature the capability of geophysical methods to aid in GFM refinement, to identify regions of subsurface complexity, and for optimal well siting. A joint inversion of co-located seismic refraction and ERT data was carried out for data collected on a ~2.3-km profile between the 200 Areas on the Hanford Site. While ERT and seismic refraction images have sensitivity to overlapping physical properties (porosity, moisture content, lithology), the resolution and physics used to acquire each of these datasets are different and therefore information can be different or mutually complementary. Performing a joint inversion provides a reasonable option for a coherent, coupled interpretation for mutually complementary datasets. Between the 200 Areas, there are few boreholes to interpret the geologic framework model, and these data sets were obtained to provide a first line of evidence toward identifying stratigraphic structure. The seismic refraction and ERT data were independently inverted during fiscal year 2022 and broadly showed a two-layer structure with a trough-like feature that is ~1 km wide and upwards of 150 m deep. The depth of the trough feature was greater in the ERT image compared to the seismic image, which indicated a maximum depth of approximately 110 m. The objective of the joint inversion described in this report was to invert the seismic refraction and ERT data together while constraining the ERT image to be structurally similar to the seismic refraction image. The approach was applied using the geophysical inverse modeling program E4D, which has the capability to invert first-arrival times from seismic refraction data and ERT resistances using a “cross-gradient” constraint. The application of cross-gradient constraints with different weights produces ERT models that show a high degree of similarity within the upper 100 m (above ~120 m elevation). None of the ERT models show an improved structural similarity to the seismic result; therefore, it is recommended that further attempts to jointly interpret these models focus on petrophysics and image resolution. Petrophysical measurements of core samples would improve knowledge of what drives the ERT response in this region and, along with downhole geophysical measurements, could be used to “ground truth” the surface-based geophysical results. Image resolution studies would provide insight into which regions of the inverted images are reliable and which regions are poorly constrained.

58 GEOSCIENCES↗
NASA NTRS1983

Supersonic loads due to shuttle-orbiter/external-tank attachment structures

A large variety of tests were conducted during development of the Space Shuttle to determine the strength, fatigue, and thermal characteristics of the thermal-protection system of the orbiter. The research and analysis carried out to accurately define and simulate the flow characteristics immediately ahead of the external tank attachment structures are described. The highest known acoustic pressure loads occur in these regions and tests to insure the ability of the titles to withstand these acoustic loads, plus those due to pressure gradient, were thought necessary. First flight-critical wind tunnel tests were therefore conducted in the Langley 8-Foot Transonic Pressure Tunnel (8-Ft. TPT), which simulated the time histories of Shuttle ascent loads on tile arrays bonded to structures which accurately duplicated those of the Shuttle. The time-varying free stream conditions were provided by controlling the deflection angle history of diffuser spoiler flaps in an automated way. Time histories of the critical load parameters imposed on the tile arrays in the tunnel are compared with those expected in flight.

Edwards, C. L. W.↗
DOE OSTI2024

Co-free gradient lithium-rich cathode for high-energy batteries with optimized cyclability

Lithium-rich layered oxides (LLOs) hold the promise for high-energy battery cathodes. However, its application has been hindered by voltage decay associated with irreversible reactions at high voltages despite decades of intensive efforts. Here, we first theoretically studied the molecular orbitals of Mn-based Li-rich configurations. We found that the π-bond ring formed within the LiMn 6 structure could participate in stable redox reactions as one unit, but Co could disrupt its symmetry. We thus designed and synthesized Co-free concentration-gradient LLOs (CF-CG-LLOs) materials. The combination of concentration gradient and Co removal leads to exceptional capacity retention without any fading over 100 cycles of the pouch cell. More importantly, it exhibits an extraordinarily low voltage decay of 0.15 mV/cycle, accompanied by a high Coulombic efficiency of 99.86%. This concept and demonstration of CF-CG-LLO cathodes reveal a viable avenue toward low-cost, high-energy-density battery cathodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Uniform momentum and temperature zones in unstably stratified turbulent flows

Wall-bounded turbulent flows exhibit a zonal arrangement, in which streamwise velocity organizes into uniform momentum zones (UMZs), separated by thin layers of elevated interfacial shear. While significant research efforts have focused on these structural features in neutrally stratified flows, the effects of unstable thermal stratification on UMZs and on analogous uniform temperature zones (UTZs) have not been considered previously. In this article, statistical properties of UMZs and UTZs are investigated using a suite of large eddy simulations of unstably stratified turbulent channel flow spanning weakly to highly convective conditions. When normalized by the friction velocity and stability-dependent mixing length, the mean velocity gradient based on UMZ interfacial velocity jumps and the vorticity thickness exhibits good collapse for all stabilities, establishing a link between UMZ properties and scaling predictions from Monin–Obukhov similarity theory. A similar relationship is found between UTZ properties and surface-layer scaling of the mean temperature gradient. In the mixed layer, mean UMZ depth is quasi-constant with wall-normal distance, while the deepest UTZs are found in the centre of the boundary layer. These instantaneous structures are found to be linked to the well-mixed velocity and temperature profiles in the convective mixed layer. Conditional averaging indicates that both UMZ and UTZ interfaces are associated with ejections of momentum and warm updrafts below the interface and sweeps of momentum and cool downdrafts above the interface. These results demonstrate a tangible connection between instantaneous structural features, mean properties and scaling laws in unstably stratified flows.

Mechanics↗
NASA NTRS1990

Nonlinear phase-space diffusion approach to turbulent organized structures

The study deals with the approximation of the effect of all velocity-increment moments on the spatial evolution of the pdf for maximally correlated structures by the effect of the second moment alone by assuming independence of separated length scales. The dependence of the two-point velocity statistics on length-scale or separation is found to be governed by the gradients of the stress, rather than of the velocity. This may provide a new approach for predicting the domain patterns observed in turbulent flows and a new means of characterizing or classifying different structures, namely, by their nonlinear diffusion coefficient.

Shen, Hubert H.↗
NASA NTRS2003

Density Irregularities Inside the Plasmasphere: Cluster Observations

The electron density profiles derived from the EFW and WHISPER instruments onboard the four Cluster spacecraft reveal small-scale density irregularities inside the plasmasphere and at its outer boundary, the plasmapause. We review statistics of the plasmapause position and thickness, as well as statistics of these density structures. We focus on a particular plasmasphere crossing on 11 April 2002, with several density irregularities, as well as two plasma tails, observed by Cluster on the legs of the inbound and outbound passes. We derive the density gradient vectors from simultaneous density measurements by the four spacecraft. We determine also the normal velocity of the surface of these irregularities, assuming they are planar boundaries, from the time delays between density structures in the four individual density profiles. These new observations yield novel insights about (1) the dimensions of plasma irregularities across and parallel to magnetic field lines, (2) the dynamics of these small-scale structures, (3) their bulk velocities, and (4) their position and distribution as a function of the magnetic local time (MLT) and the geomagnetic conditions (as determined by Kp).

Darrouzet, F.↗
NASA NTRS1994

Incremental triangulation by way of edge swapping and local optimization

This document is intended to serve as an installation, usage, and basic theory guide for the two dimensional triangulation software 'HARLEY' written for the Silicon Graphics IRIS workstation. This code consists of an incremental triangulation algorithm based on point insertion and local edge swapping. Using this basic strategy, several types of triangulations can be produced depending on user selected options. For example, local edge swapping criteria can be chosen which minimizes the maximum interior angle (a MinMax triangulation) or which maximizes the minimum interior angle (a MaxMin or Delaunay triangulation). It should be noted that the MinMax triangulation is generally only locally optical (not globally optimal) in this measure. The MaxMin triangulation, however, is both locally and globally optical. In addition, Steiner triangulations can be constructed by inserting new sites at triangle circumcenters followed by edge swapping based on the MaxMin criteria. Incremental insertion of sites also provides flexibility in choosing cell refinement criteria. A dynamic heap structure has been implemented in the code so that once a refinement measure is specified (i.e., maximum aspect ratio or some measure of a solution gradient for the solution adaptive grid generation) the cell with the largest value of this measure is continually removed from the top of the heap and refined. The heap refinement strategy allows the user to specify either the number of cells desired or refine the mesh until all cell refinement measures satisfy a user specified tolerance level. Since the dynamic heap structure is constantly updated, the algorithm always refines the particular cell in the mesh with the largest refinement criteria value. The code allows the user to: triangulate a cloud of prespecified points (sites), triangulate a set of prespecified interior points constrained by prespecified boundary curve(s), Steiner triangulate the interior/exterior of prespecified boundary curve(s), refine existing triangulations based on solution error measures, and partition meshes based on the Cuthill-McKee, spectral, and coordinate bisection strategies.

Wiltberger, N. Lyn↗
DOE OSTI2022

Intra-canopy leaf trait variation facilitates high leaf area index and compensatory growth in a clonal woody encroaching shrub

Leaf trait variation enables plants to utilize large gradients of light availability that exist across canopies of high leaf area index (LAI), allowing for greater net carbon gain while reducing light availability for understory competitors. While these canopy dynamics are well understood in forest ecosystems, studies of canopy structure of woody shrubs in grasslands are lacking. To evaluate the investment strategy used by these shrubs, we investigated the vertical distribution of leaf traits and physiology across canopies of Cornus drummondii, the predominant woody encroaching shrub in the Kansas tallgrass prairie. We also examined the impact of disturbance by browsing and grazing on these factors. Our results reveal that leaf mass per area (LMA) and leaf nitrogen per area (Na) varied approximately threefold across canopies of C. drummondii, resulting in major differences in the physiological functioning of leaves. High LMA leaves had high photosynthetic capacity, while low LMA leaves had a novel strategy for maintaining light compensation points below ambient light levels. The vertical allocation of leaf traits in C. drummondii canopies was also modified in response to browsing, which increased light availability at deeper canopy depths. As a result, LMA and Na increased at lower canopy depths, leading to a greater photosynthetic capacity deeper in browsed canopies compared to control canopies. This response, along with increased light availability, facilitated greater photosynthesis and resource-use efficiency deeper in browsed canopies compared to control canopies. Furthermore, our results illustrate how C. drummondii facilitates high LAI canopies and a compensatory growth response to browsing—both of which are key factors contributing to the success of C. drummondii and other species responsible for grassland woody encroachment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Accelerating defect predictions in semiconductors using graph neural networks

First-principles computations reliably predict the energetics of point defects in semiconductors but are constrained by the expense of using large supercells and advanced levels of theory. Machine learning models trained on computational data, especially ones that sufficiently encode defect coordination environments, can be used to accelerate defect predictions. Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of group IV, III–V, and II–VI zinc blende semiconductors, powered by crystal Graph-based Neural Networks (GNNs) trained on high-throughput density functional theory (DFT) data. Using an innovative approach of sampling partially optimized defect configurations from DFT calculations, we generate one of the largest computational defect datasets to date, containing many types of vacancies, self-interstitials, anti-site substitutions, impurity interstitials and substitutions, as well as some defect complexes. We applied three types of established GNN techniques, namely crystal graph convolutional neural network, materials graph network, and Atomistic Line Graph Neural Network (ALIGNN), to rigorously train models for predicting defect formation energy (DFE) in multiple charge states and chemical potential conditions. We find that ALIGNN yields the best DFE predictions with root mean square errors around 0.3 eV, which represents a prediction accuracy of 98% given the range of values within the dataset, improving significantly on the state-of-the-art. We further show that GNN-based defective structure optimization can take us close to DFT-optimized geometries at a fraction of the cost of full DFT. The current models are based on the semi-local generalized gradient approximation-Perdew–Burke–Ernzerhof (PBE) functional but are highly promising because of the correlation of computed energetics and defect levels with higher levels of theory and experimental data, the accuracy and necessity of discovering novel metastable and low energy defect structures at the PBE level of theory before advanced methods could be applied, and the ability to train multi-fidelity models in the future with new data from non-local functionals. The DFT-GNN models enable prediction and screening across thousands of hypothetical defects based on both unoptimized and partially optimized defective structures, helping identify electronically active defects in technologically important semiconductors.

Rahman, Md Habibur (ORCID:000000027705984X)↗
DOE OSTI2020

Coulomb correlation in noncollinear antiferromagnetic 𝛼-Mn

Here, we discuss the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to be sensitive to magnetic interactions between the Mn atoms. While the standard generalized gradient approximation underestimates the equilibrium volume, a more accurate treatment of the effects of electronic localization and magnetism is found to solve this longstanding problem. Our calculations also reveal the presence of a magnetic phase in strained $\alpha$-Mn that has been reported previously in experiments. This new phase of strained $\alpha$-Mn exhibits a noncollinear spin structure with large magnetic moments.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Deep HST imaging of distant weak radio and field galaxies

We present deep Hubble Space Telescope (HST) Wide-Field Camera (WFC) V- and I-band images of three distant weak radio galaxies with z = 0.311-2.390 and seven field galaxies with z = 0.131-0.58. The images were deconvolved with both the Lucy and multiresolution CLEAN methods, which yield a restoring Full Width at Half Maximum (FWHM) of less than or equal to 0.2 sec, (nearly) preserve photons and signal-to-noise ratio at low spatial frequencies, and produce consistent light profiles down to our 2 sigma surface brightness sensitivity limit of V approximately 27.2 and I approximately 25.9 mag/sq arcsec. Multi-component image modeling was used to provide deconvolution-independent estimates of structural parameters for symmetric galaxies. We present 12-band (m(sub 2750) UBVRIgriJHK) photometry for a subset of the galaxies and bootstrap the unknown FOC/48 zero point at 2750 A in three independent ways (yielding m(sub 2750) = 21.34 +/- 0.09 mag for 1.0 e(-)/s). Two radio galaxies with z = 0.311 and 0.528, as well as one field galaxy with z = 0.58, have the colors and spectra of early-type galaxies, and a(exp 1/4)-like light profiles in the HST images. The two at z greater than 0.5 have little or no color gradients in V - I and are likely giant ellipticals, while the z = 0.311 radio galaxy has a dim exponential disk and is likely an S0. Six of the seven field galaxies have light profiles that indicate (small) inner bulges following a(exp 1/4) laws and outer exponential disks, both with little or no color gradients. These are (early-type) spiral galaxies with z = 0.131-0.528. About half have faint companions or bars. One shows lumpy structure, possibly a merger. The compact narrow-line galaxy 53W002 at z = 2.390 has less than or = 30% +/- 10% of its HST V and I flux in the central kiloparsec (due to its weak Active Galactic Nucleus (AGN)). Most of its light (V approximately equal to 23.3) occurs in a symmetric envelope with a regular a(exp 1/4)-like profile of effective radius a approximately equal to 1.1 sec (approximately equal to 12 kpc for H(sub 0) = 50, q(sub 0) = 0.1. Its (HST) V - I color varies at most from approximately 0.3 mag at a approximately equal to 0.2 sec to approximately 1.2 mag at a approximately greater than 0.4 sec, and possibly to approximately greater than 2.2 mag at a approximately greater than 1.2 sec. Together with its I - K color (approximately equal to 2.5 mag for a approximately greater than 1.0 sec-2.0 sec), this is consistent with an aging stellar population approximately 0.3-0.5 Gyr old in the galaxy center (a approx. less than 2 kpc radius), and possibly approximately 0.5-1.0 Gyr old at a approximately greater than 10 kpc radius. While its outer part may thus have started to collapse at z = 2.5-4, its inner part still is aligned with its redshifted Ly(alpha) cloud and its radio axis, possibly caused by star formation associated with the radio jet, or by reflection from its AGN cone.

Windhorst, R. A.↗
NASA NTRS1978

The dynamics and control of large flexible space structures. Part A: Discrete model and modal control

Attitude control techniques for the pointing and stabilization of very large, inherently flexible spacecraft systems were investigated. The attitude dynamics and control of a long, homogeneous flexible beam whose center of mass is assumed to follow a circular orbit was analyzed. First order effects of gravity gradient were included. A mathematical model which describes the system rotations and deflections within the orbital plane was developed by treating the beam as a number of discretized mass particles connected by massless, elastic structural elements. The uncontrolled dynamics of the system are simulated and, in addition, the effects of the control devices were considered. The concept of distributed modal control, which provides a means for controlling a system mode independently of all other modes, was examined. The effect of varying the number of modes in the model as well as the number and location of the control devices were also considered.

Bainum, P. M.↗