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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 NTRS1999

A Three-Dimensional Total Odd Nitrogen (NO(y)) Simulation During SONEX using a Stretched-Grid Chemical Transport Model

The relative importance of various odd nitrogen (NOy) sources including lightning, aircraft, and surface emissions on upper tropospheric total odd nitrogen is illustrated as a first application of the three-dimensional Stretched-Grid University of Maryland/Goddard Chemical-Transport Model (SG-GCTM). The SG-GCTM has been developed to look at the effect of localized sources and/or small scale mixing processes on the large-scale or global chemical balance. For this simulation, the stretched-arid was chosen so that its maximum resolution is located over eastern North America and the North Atlantic; a region that includes most of the SONEX (the SASS (Subsonic Assessment) Ozone and Nitrogen Oxides Experiment) flight paths. The SONEX period (October-November 1997) is simulated by driving the SG-GCTM with assimilated data from the GEOS-STRAT DAS (Goddard Earth Observing System-STRAT Data Assimilation System). A new algorithm is used to parameterize the lightning, flash rates that are needed to calculate emissions of NOy by lightning. Model-calculated upper tropospheric NOy and NOy measurements from the NASA DC-8 aircraft are compared. Spatial variations in NOy were well captured especially with the stretched-grid run; however, model-calculated concentrations were often too high in the upper troposphere, particularly during the first several flights. The lightning algorithm does a reasonably good job; however, the use of emissions from observed lightning, flashes significantly improves the simulation on a few occasions, especially November 3, 1997, indicating that significant uncertainty remains in parameterizing lightning in CTMS. Aircraft emissions play a relatively minor role (about 12%) in the upper tropospheric NOY budget averaged along SONEX flight paths; however, the contribution of such emmissions is as large as about 30% during portions of some flights.

Allen, Dale↗
DOE OSTI2025

Adaptive variational quantum dynamics simulations with compressed circuits and fewer measurements

The adaptive variational quantum dynamics simulation (AVQDS) method performs real-time evolution of quantum states using automatically generated parametrized quantum circuits that often contain substantially fewer gates than Trotter circuits. Here we report an improved version of the method, which we call AVQDS(T), by porting the tiling efficient trial circuits with rotations implemented simultaneously technique. The algorithm adaptively adds layers of disjoint unitary gates to the ansatz circuit so as to keep the McLachlan distance, a measure of the accuracy of the variational dynamics, below a fixed threshold. Here we perform benchmark noiseless AVQDS(T) simulations of quench dynamics in local spin models and compare with an alternative adaptive variational approach on quantum resource requirement. Quantum dynamical simulations implementing realistic noise channels are also reported. Finally, we propose a way to substantially alleviate the measurement overhead of AVQDS(T) while maintaining high accuracy by synergistically integrating quantum circuit calculations on quantum processing units with classical calculations using, e.g., tensor networks to evaluate the quantum geometric tensor. We showcase that this approach enables AVQDS(T) to deliver more accurate results than simulations using a fixed ansatz of comparable final depth for a significant time duration with fewer quantum resources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Sparse Symmetric Format for Tucker Decomposition

Tensor-based methods are receiving renewed attention in recent years due to their prevalence in diverse real-world applications. There is considerable literature on tensor representations and algorithms for tensor decompositions, both for dense and sparse tensors. Many applications in hypergraph analytics, machine learning, psychometry, and signal processing result in tensors that are both sparse and symmetric, making them an important class for further study. Similar to the critical Tensor Times Matrix chain operation (TTM c ) in general sparse tensors, the $\underline{S}$ parse $\underline{S}$ ymmetric $\underline{T}$ ensor $\underline{T}$ imes $\underline{S}$ ame $\underline{M}$ atrix $\underline{c}$ hain (S 3 TTM c ) operation is compute and memory intensive due to high tensor order and the associated factorial explosion in the number of non-zeros. We present the novel Compressed Sparse Symmetric (CSS) format for sparse symmetric tensors, along with an efficient parallel algorithm for the S 3 TTM c operation. We theoretically establish that S 3 TTM c on CSS achieves a better memory versus run-time trade-off compared to state-of-the-art implementations, and visualize the variation of the performance gap over the parameter space. We demonstrate experimental findings that confirm these results and achieve up to 2.72× speedup on synthetic and real datasets. The scaling of the algorithm on different test architectures is also showcased to highlight the effect of machine characteristics on algorithm performance.

42 ENGINEERING↗
NASA NTRS2021

Comparison of soil dielectric mixing models for Soil Moisture Retrieval using SMAP Brightness Temperature over croplands in India

The accurate estimation of soil moisture (SM) using microwave remote sensing depends mostly on careful selection of retrieval parameters among which the soil dielectric mixing model is the important one. These models are often categorized into empirical, semi-empirical or volumetric based on their methodologies and input data requirements. To study in detail, the comparative performance of four dielectric mixing models -- Wang & Schmugge model, Hallikainen model, Dobson model and Mironov model were used with Soil Moisture Active Passive (SMAP) L-band brightness temperature and Single Channel Algorithm for SM retrieval over agricultural landscapes in India. The highest performance statistics combination in terms of Root Mean Square Error (RMSE), correlation coefficient (R^(2)) and percentage bias (PBIAS) against the concurrent in-situ SM measurements were calculated at the selected validation sites. The overall results indicate that the best performance was given by the Mironov model (RMSE = 0.07 cu. m/cu. m), followed by Wang & Schmugge model (RMSE = 0.08 cu. m3/cu. m), Hallikainen model (RMSE = 0.09 cu. m/cu. m), Dobson model (RMSE = 0.10 cu. m/cu. m) and original SMAP radiometer SM (RMSE = 0.12 cu. m/cu. m). Findings of this study provides important insights into application and performance of dielectric mixing models in mapping surface SM variations. This study also underlines the pivotal role of local conditions for SM retrieval which should be carefully included in the algorithms.

Swati Suman↗
DOE OSTI2023

A group finder algorithm optimised for the study of local galaxy environments

Context. The majority of galaxy group catalogues available in the literature use the popular friends-of-friends algorithm which links galaxies using a linking length. One potential drawback to this approach is that clusters of points can be linked with thin bridges which may not be desirable. In order to study galaxy groups, it is important to obtain realistic group structures. Aim. Here, in this study, we present a new simple group finder algorithm, TD-ENCLOSER, that finds the group that encloses a target galaxy of interest. Methods. TD-ENCLOSER is based on the kernel density estimation method which treats each galaxy, represented by a zero-dimensional particle, as a two-dimensional circular Gaussian. The algorithm assigns galaxies to peaks in the density field in order of density in descending order (‘top down’) so that galaxy groups ‘grow’ around the density peaks. Outliers in under-dense regions are prevented from joining groups by a specified hard threshold, while outliers at the group edges are clipped below a soft (blurred) interior density level. Results. The group assignments are largely insensitive to all free parameter variations apart from the hard density threshold and the kernel standard deviation, although this is a known feature of density-based group finder algorithms and it operates with a computing speed that increases linearly with the size of the input sample. In preparation for a companion paper, we also present a simple algorithm to select unique representative groups when duplicates occur. Conclusions. TD-ENCLOSER is tested on a mock galaxy catalogue using a smoothing scale of 0.3 Mpc and is found to be able to recover the input group distribution with sufficient accuracy to be applied to observed galaxy distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Machine learning reveals factors that control ion mobility in anti-perovskite solid electrolytes

Solid-state batteries are projected to exhibit improved energy densities and safety compared to liquid-electrolyte-based systems. Consequently, the development of solid electrolytes that can conduct cations at rates comparable to that of liquid electrolytes is an active area of research. To facilitate this search it is desirable to understand the chemical and structural features that control ion transport through a crystalline lattice. Here, machine learning (ML) is used to identify features that influence ion mobility in solids, quantify the relative importance of those features, and demonstrate how the variation of individual features alters ion mobility. Adopting the anti-perovskite lattice as a model system, ML algorithms were trained to predict migration barriers from a data set containing hundreds of barriers calculated using density functional theory. In this study, more than 10 6 feature sets of non-redundant descriptors were evaluated for their ability to predict migration barriers. The present analysis correctly reiterates the importance of several features that are known to influence mobility – for example, anion polarizability – but also identifies others whose importance is not widely recognized. Lattice properties such as hopping distance and channel width exhibit the greatest influence on cation mobility. Individual conditional expectation analyses performed on these features shows that barriers decrease as hopping distance decreases and as channel width increases. The defect formation energy – which is commonly associated with the concentration of defects, but not with their mobility – is identified as an important feature for interstitial migration. In sum, this analysis aids in the design of optimal solid electrolytes by simplifying the multi-dimensional design space to a sub-set of properties that are the most important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Twinac: initiation of a community-driven accelerator digital twin framework

We present the initiation of a community-driven framework for the integration of accelerator digital twins into control systems: Twinac. Few facilities have fully integrated accelerator digital twins like at Cornell’s CHESS. Many facilities have active research to employ surrogate models to aid in operational decisions like at Argonne’s ALS, MSU’s FRIB, SLAC’s LCLS-II, and Fermilab’s FAST/IOTA, PIP-II, and main complex. To lower the barrier to entry for all accelerator facilities to build and benefit from a digital twin of their own accelerators, we propose the following software framework. Twinac will provide the capability to compose one’s own digital twin using reusable components engineered at other facilities. With this model in place, Twinac will also support tools for (1) predictive maintenance systems; (2) discovery of correlated but uncontrolled environmental factors, like seasonal temperature variations causing performance changes on power supplies, magnets, etc.; and (3) prototyping and updating sophisticated optimization and controls algorithms. The Twinac framework will enable sharing and simplified deployment of modeled components and control algorithms at all facilities. With an inter-facility team to build and support the Twinac framework, it will be easy to publish and try out the latest advancements at one’s own facility.

Miceli, Tia [Fermilab]↗
NASA NTRS1975

Sparse matrix techniques applied to modal analysis of multi-section duct liners

A simplified procedure is presented for analysis of ducts with discretely nonuniform properties. The analysis uses basis functions as the generalized coordinates. The duct eigenfunctions are approximated by finite series of these functions. The emphasis is on solution of the resulting large sparse set of linear equations. Characteristics of sparse matrix algorithms are outlined and some criteria for application are established. Analogies with structural methods are used to illustrate variations which can increase efficiency in generating values for design optimization routines. The effects of basis function selection, number of eigenfunctions and identification and ordering of equations on the sparsity and solution stability are included.

Arnold, W. R.↗
NASA NTRS1980

Nimbus-7 coastal zone color scanner - System description and initial imagery

Initial imagery from the Nimbus-7 Coastal Zone Color Scanner (CZCS) shows subtle variations in water color. Organisms, especially phytoplankton, play a major influence on the variations in water color. Processing of the visual data is described, and in particular, the use of an algorithm to remove aerosol from the image is discussed. Data on the six spectral bands (433-12,500 nm) are presented and comparisons are made between the CZCS and the Landsat-1 multispectral scanner. The implications for management of fisheries is noted.

Hovis, W. A.↗
NASA NTRS1981

Evaluation of Nimbus 7 SMMR sensor with airborne radiometers and surface observations in the Norwegian Sea

Measurements made by the Nimbus 7 SMMR are compared with near simultaneous observations using the airborne SMMR simulator and with surface observations. The area of the test is in the Norwegian Sea between Bear Island and Northern Norway. It is noted that during the observation period two low-pressure systems were located in the test area, giving a spatial wind variation from 3-20 m/s. It is shown that the use of the currently available brightness temperatures and algorithms for SMMR does not give universally satisfactory results for SST and wind speed under extreme weather conditions. In addition, the SMMR simulator results are seen as indicating the need for more work on calibration.

Gloersen, P.↗
NASA NTRS1986

Comparison of Euler and full potential marching techniques for flows over complex configurations

Two recently developed aerodynamic prediction techniques based on the steady full potential equation and the unsteady Euler equations have been applied to a variety of three-dimensional supersonic flow problems exhibiting embedded subsonic regions. Both techniques utilize planar Gauss-Seidel relaxation in the marching direction and approximate factorization in the cross-flow plane. A conservative switching scheme and flux bias technique are employed in the full potential method to transition from the supersonic marching procedure to a subsonic relaxation algorithm and vice versa. A new unified approach with finite volume, high accuracy (up to third order) Total Variation Diminishing formulation (based on Roe's scheme) is used in the Euler solver. In the supersonic regions of the flow an 'infinitely large' time step is employed, and a finite time step is applied in the subsonic regions of the flow to reach the steady-state as a time-asymptote. Numerical solutions are obtained for a number of complex configurations, including: (1) an elliptic waverider, (2) a realistic fighter configuration, (3) the Space Shuttle, and (4) a Shuttle-like configuration. Both the Full Potential and Euler numerical results are in good agreement with available experimental data.

Szema, K. Y.↗
NASA NTRS1987

Development of upwind schemes for the Euler equations

Described are many algorithmic and computational aspects of upwind schemes and their second-order accurate formulations based on Total-Variation-Diminishing (TVD) approaches. An operational unification of the underlying first-order scheme is first presented encompassing Godunov's, Roe's, Osher's, and Split-Flux methods. For higher order versions, the preprocessing and postprocessing approaches to constructing TVD discretizations are considered. TVD formulations can be used to construct relaxation methods for unfactored implicit upwind schemes, which in turn can be exploited to construct space-marching procedures for even the unsteady Euler equations. A major part of the report describes time- and space-marching procedures for solving the Euler equations in 2-D, 3-D, Cartesian, and curvilinear coordinates. Along with many illustrative examples, several results of efficient computations on 3-D supersonic flows with subsonic pockets are presented.

Chakravarthy, Sukumar R.↗
NASA NTRS1988

Artificial dissipation models for hypersonic external flow

Four artificial dissipation models which augment central difference schemes were examined for hypersonic external flows. The models were a first and third order dissipation model, a directionally scaled first and third order dissipation model, a flux limited dissipation model, and a flux difference split dissipation model. Each model was implemented in the lower-upper symmetric-Gauss-Seidel (LU-SGS) algorithm to solve the full Navier-Stokes equations. The latter two models can be regarded as total variation diminishing (TVD) schemes. Test results for model problems showed that the flux limited dissipation model was robust enough to predict a high speed blunt body flow with strong shock and expansion waves. The flux difference split dissipation model was capable of shock capturing with higher resolution, but was less robust. First and third order dissipation models turned out to be neither accurate nor robust enough for high Mach number flow computations.

Yoon, Seokkwan↗
NASA NTRS1995

Liquid crystal point diffraction interferometer

A new instrument, the liquid crystal point diffraction-interferometer (LCPDI), has been developed for the measurement of phase objects. This instrument maintains the compact, robust design of Linnik's point diffraction interferometer (PDI) and adds to it phase stepping capability for quantitative interferogram analysis. The result is a compact, simple to align, environmentally insensitive interferometer capable of accurately measuring optical wavefronts with very high data density and with automated data reduction. This dissertation describes the theory of both the PDI and liquid crystal phase control. The design considerations for the LCPDI are presented, including manufacturing considerations. The operation and performance of the LCPDI are discussed, including sections regarding alignment, calibration, and amplitude modulation effects. The LCPDI is then demonstrated using two phase objects: defocus difference wavefront, and a temperature distribution across a heated chamber filled with silicone oil. The measured results are compared to theoretical or independently measured results and show excellent agreement. A computer simulation of the LCPDI was performed to verify the source of observed periodic phase measurement error. The error stems from intensity variations caused by dye molecules rotating within the liquid crystal layer. Methods are discussed for reducing this error. Algorithms are presented which reduce this error; they are also useful for any phase-stepping interferometer that has unwanted intensity fluctuations, such as those caused by unregulated lasers.

Mercer, Carolyn R.↗
NASA NTRS1994

HEAO 3 observations of the Galactic center 511 keV line

The existence of an intense narrow electron/position annihilation line from the direction of the Galactic center is unquestioned; however, the source of the positrons remains a mystery. It is believed the line emisssion has two components: one compact at or near the Galactic center, and the other extended in the equatorial plane of the Galaxy. A compact component is suggested by several reports of intensity variations, including one from our group based on HEAO 3 data. Since the original HEAO 3 analysis, our algorithms have been greatly improved and we have gained a much better understanding of systematic effects which could influence the results. Given the importance of the result and the significantly improved analysis techniques now avaiable, the data have been reanalyzed. For a single point source at the Galactic center, the revised line intensities are (1.25 +/- 0.18) x 10(exp -3) photons cm(exp -2) s(exp -1) for the fall of 1979 and (0.99 +/- 0.18) x 10(exp 3) photons cm(exp -2) x(exp -1) for the spring of 1980.

Mahoney, W. A.↗
DOE OSTI2022

Variational quantum state eigensolver

Extracting eigenvalues and eigenvectors of exponentially large matrices will be an important application of near-term quantum computers. The variational quantum eigensolver (VQE) treats the case when the matrix is a Hamiltonian. Here, we address the case when the matrix is a density matrix ρ. We introduce the variational quantum state eigensolver (VQSE), which is analogous to VQE in that it variationally learns the largest eigenvalues of ρ as well as a gate sequence V that prepares the corresponding eigenvectors. VQSE exploits the connection between diagonalization and majorization to define a cost function C=Tr(ρ~H) where H is a non-degenerate Hamiltonian. Due to Schur-concavity, C is minimized when ρ~=VρV† is diagonal in the eigenbasis of H. VQSE only requires a single copy of ρ (only n qubits) per iteration of the VQSE algorithm, making it amenable for near-term implementation. We heuristically demonstrate two applications of VQSE: (1) Principal component analysis, and (2) Error mitigation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

A Fully Implicit Time Accurate Method for Hypersonic Combustion: Application to Shock-induced Combustion Instability

A new fully implicit, time accurate algorithm suitable for chemically reacting, viscous flows in the transonic-to-hypersonic regime is described. The method is based on a class of Total Variation Diminishing (TVD) schemes and uses successive Gauss-Siedel relaxation sweeps. The inversion of large matrices is avoided by partitioning the system into reacting and nonreacting parts, but still maintaining a fully coupled interaction. As a result, the matrices that have to be inverted are of the same size as those obtained with the commonly used point implicit methods. In this paper we illustrate the applicability of the new algorithm to hypervelocity unsteady combustion applications. We present a series of numerical simulations of the periodic combustion instabilities observed in ballistic-range experiments of blunt projectiles flying at subdetonative speeds through hydrogen-air mixtures. The computed frequencies of oscillation are in excellent agreement with experimental data.

Yungster, Shaye↗
NASA NTRS1981

The feasibility of using time-dependent photochemical calculations to infer radical species concentrations from solar occultation absorption measurements

In connection with fast chemical reactions, short-lived stratospheric species experience rapid concentration variations at sunset and sunrise. For solar occultation absorption measurements, these rapid concentration variations may introduce significant errors with respect to the inference of atmospheric abundances for some species due to asymmetrical concentration distributions. Most retrieval algorithms assume that concentration distributions are spherically symmetric. The effect of this assumption on the accuracy of inferred concentrations has been studied by Kerr et al. (1977). The present investigation considers the feasibility of using a time-dependent one-dimensional photochemical model to provide detailed information about the asymmetrical distribution for use in the retrieval procedure. As shown by Boughner et al. (1980), diurnal effects can be represented by an inhomogeneity factor. It is found that the NO retrieval improves considerably with the inclusion of a correction factor containing the asymmetrical variations.

Larsen, J. C.↗