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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Optimal function estimation with photonic quantum sensor networks

The problem of optimally measuring an analytic function of unknown local parameters each linearly coupled to a qubit sensor is well understood, with applications ranging from field interpolation to noise characterization. Here we resolve a number of open questions that arise when extending this framework to Mach-Zehnder interferometers and quadrature displacement sensing. In particular, we derive lower bounds on the achievable mean square error in estimating a linear function of either local phase shifts or quadrature displacements. In the case of local phase shifts, these results prove, and somewhat generalize, a conjecture by Proctor []. For quadrature displacements, we extend proofs of lower bounds to the case of arbitrary linear functions. We provide optimal protocols achieving these bounds up to small (multiplicative) constants and describe an algebraic approach to deriving new optimal protocols, possibly subject to additional constraints. Using this approach, we prove necessary conditions for the amount of entanglement needed for any optimal protocol for both local phase and displacement sensing. Published by the American Physical Society 2024

Bringewatt, Jacob↗
DOE OSTI2024

Quantum error mitigation by layerwise Richardson extrapolation

A widely used method for mitigating errors in noisy quantum computers is Richardson extrapolation, a technique in which the overall effect of noise on the estimation of quantum expectation values is captured by a single parameter that, after being scaled to larger values, is eventually extrapolated to the zero-noise limit. We generalize this approach by introducing layerwise Richardson extrapolation (LRE), an error mitigation protocol in which the noise of different individual layers (or larger chunks of the circuit) is amplified and the associated expectation values are linearly combined to estimate the zero-noise limit. The coefficients of the linear combination are analytically obtained from the theory of multivariate Lagrange interpolation. LRE leverages the flexible configurational space of layerwise unitary folding, allowing for a more nuanced mitigation of errors by treating the noise level of each layer of the quantum circuit as an independent variable. Furthermore, we provide numerical simulations demonstrating scenarios where LRE achieves superior performance compared to traditional (single-variable) Richardson extrapolation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Artificial intelligence “sees” split electrons

Chemical bonds between atoms are stabilized by the exchange-correlation (xc) energy, a quantum-mechanical effect in which “social distancing” by electrons lowers their electrostatic repulsion energy. Kohn-Sham density functional theory (DFT) states that the electron density determines this xc energy, but the density functional must be approximated. Furthermore, this is usually done by satisfying exact constraints of the exact functional (making the approximation predictive), by fitting to data (making it interpolative), or both. Two exact constraints—the ensemble-based piecewise linear variation of the total energy with respect to fractional electron number and fractional electron z-component of spin —require hard-to-control nonlocality. On page 1385 of this issue, Kirkpatrick et al. have taken a big step toward more accurate predictions for chemistry through the machine learning of molecular data plus the fractional charge and spin constraints, expressed as data that a machine can learn.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1991

Computational study of the aerodynamics and control by blowing of asymmetric vortical flows over delta wings

Some of the work is described which was done in a study of the flow field produced by tangential leading edge blowing on a 60 deg. delta wing. The flow is studied computationally by solving the Thin Layer Navier-Stokes equations. Steady state flow fields are calculated for various angles of attack and yaw, with and without the presence of tangential leading edge blowing. The effectiveness of blowing as a rolling moment control mechanism to extend the envelope of controllability is illustrated at pre- and post-stall angles of attack. The numerical grid is generated using algebraic grid generation and various interpolation and blending techniques. The jet emanates from a slot with linearly varying thickness and is introduced into the flow field using the concept of an actuator plane, thereby not requiring resolution of the jet slot geometry. The Baldwin-Lomax algebraic turbulence model is used to provide turbulent closure. The computational results are compared with those of experiments.

Craig, Ken↗
NASA NTRS2012

Method for Pre-Conditioning a Measured Surface Height Map for Model Validation

This software allows one to up-sample or down-sample a measured surface map for model validation, not only without introducing any re-sampling errors, but also eliminating the existing measurement noise and measurement errors. Because the re-sampling of a surface map is accomplished based on the analytical expressions of Zernike-polynomials and a power spectral density model, such re-sampling does not introduce any aliasing and interpolation errors as is done by the conventional interpolation and FFT-based (fast-Fourier-transform-based) spatial-filtering method. Also, this new method automatically eliminates the measurement noise and other measurement errors such as artificial discontinuity. The developmental cycle of an optical system, such as a space telescope, includes, but is not limited to, the following two steps: (1) deriving requirements or specs on the optical quality of individual optics before they are fabricated through optical modeling and simulations, and (2) validating the optical model using the measured surface height maps after all optics are fabricated. There are a number of computational issues related to model validation, one of which is the "pre-conditioning" or pre-processing of the measured surface maps before using them in a model validation software tool. This software addresses the following issues: (1) up- or down-sampling a measured surface map to match it with the gridded data format of a model validation tool, and (2) eliminating the surface measurement noise or measurement errors such that the resulted surface height map is continuous or smoothly-varying. So far, the preferred method used for re-sampling a surface map is two-dimensional interpolation. The main problem of this method is that the same pixel can take different values when the method of interpolation is changed among the different methods such as the "nearest," "linear," "cubic," and "spline" fitting in Matlab. The conventional, FFT-based spatial filtering method used to eliminate the surface measurement noise or measurement errors can also suffer from aliasing effects. During re-sampling of a surface map, this software preserves the low spatial-frequency characteristic of a given surface map through the use of Zernike-polynomial fit coefficients, and maintains mid- and high-spatial-frequency characteristics of the given surface map by the use of a PSD model derived from the two-dimensional PSD data of the mid- and high-spatial-frequency components of the original surface map. Because this new method creates the new surface map in the desired sampling format from analytical expressions only, it does not encounter any aliasing effects and does not cause any discontinuity in the resultant surface map.

Sidick, Erkin↗
DOE OSTI2024

Data-driven models of nonautonomous systems

Nonautonomous dynamical systems are characterized by time-dependent inputs, which complicates the discovery of predictive models describing the spatiotemporal evolution of the state variables of quantities of interest from their temporal snapshots. When dynamic mode decomposition (DMD) is used to infer a linear model, this difficulty manifests itself in the need to approximate the time-dependent Koopman operators. Our approach is to approximate the original nonautonomous system with a modified system derived via a local parameterization of the time-dependent inputs. The modified system comprises a sequence of local parametric systems, which are subsequently approximated by a parametric surrogate model using the DRIPS (dimension reduction and interpolation in parameter space) framework. The offline step of DRIPS relies on DMD to build a linear surrogate model, endowed with reduced-order bases for the observables mapped from training data. The online step interpolates on suitable manifolds to construct a sequence of iterative parametric surrogate models; the target/test parameter points on these manifolds are specified by a local parameterization of the test time-dependent inputs. Here, we use numerical experimentation to demonstrate the robustness of our method and compare its performance with that of deep neural networks.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Biharmonic spline interpolation of GEOS-3 and Seasat altimeter data

An algorithm is presented for determining the minimum curvature surface passing through a set of nonuniformly spaced data points. The curve is generated as a linear combination of Green functions for the biharmonic operator at each data point, with the amplitudes of the functions adjusted so that the interpolating surfaces passes through each point. The function passing through the points can be regarded as a spline to which point forces are applied, defining the minimum curvature between the points. The technique was used to combine the along track slopes of the GEOS-3 and Seasat altimeter data into a consistent geoid height map of the Caribbean area, covering 0.5 million data points in the process. Sample images are provided and new topographic features that are revealed are discussed.

Sandwell, David T.↗
DOE OSTI2021

Learning an Algebriac Multrigrid Interpolation Operator Using a Modified GraphNet Architecture

This work, building on previous efforts, develops a suite of new graph neural network machine learning architectures that generate data-driven prolongators for use in Algebraic Multigrid (AMG). Algebraic Multigrid is a powerful and common technique for solving large, sparse linear systems. Its effectiveness is problem dependent and heavily depends on the choice of the prolongation operator, which interpolates the coarse mesh results onto a finer mesh. Previous work has used recent developments in graph neural networks to learn a prolongation operator from a given coefficient matrix. In this paper, we expand on previous work by exploring architectural enhancements of graph neural networks. A new method for generating a training set is developed which more closely aligns to the test set. Asymptotic error reduction factors are compared on a test suite of 3-dimensional Poisson problems with varying degrees of element stretching. Results show modest improvements in asymptotic error factor over both commonly chosen baselines and learning methods from previous work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Solvable time-like cosets and holography beyond AdS

We build a novel time-like coset sigma-model describing type-II superstring theory in a charged rotating black-brane background that interpolates between a local AdS 3 in the IR and a linear-dilaton geometry in the UV. This allows one to peform a systematic study of holography in non-AdS backgrounds which are smoothly connected to AdS 3 . We construct massless closed string states vertex operators in the NS-NS sector, calculate the corresponding two-point correlation functions, and discuss holographic interpretation of our results from 4+1 dimensional boundary field theory point of view. Compactifying the theory on T 4 , we show that the spectrum of a single long string with unit winding agrees with the spectrum of a CFT 2 deformed by TT¯. We also calculate correlation functions of operators of the dual 1+1 dimensional non-conformal boundary field theory using worldsheet techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Reification of latent microstructures: On supervised unsupervised and semi-supervised deep learning applications for microstructures in materials informatics

Machine learning (ML), including deep learning (DL), has become increasingly popular in the last few years due to its continually outstanding performance. In this context, we apply machine learning techniques to "learn" the microstructure using both supervised and unsupervised DL techniques. In particular, we focus (1) on the localization problem bridging (micro)structure (localized) property using supervised DL and (2) on the microstructure reconstruction problem in latent space using unsupervised DL. The goal of supervised and semi-supervised DL is to replace crystal plasticity finite element model (CPFEM) that maps from (micro)structure (localized) property, and implicitly the (micro)structure (homogenized) property relationships, while the goal of unsupervised DL is (1) to represent high-dimensional microstructure images in a non-linear low-dimensional manifold, and (2) to discover a way to interpolate microstructures via latent space associating with latent microstructure variables. At the heart of this report is the applications of several common DL architectures, including convolutional neural networks (CNN), autoencoder (AE), and generative adversarial network (GAN), to multiple microstructure datasets, and the quest of neural architecture search for optimal DL architectures.

36 MATERIALS SCIENCE↗
NASA NTRS1981

On the utility of finite element theory for computational fluid dynamics

An implicit finite element numerical solution algorithm is derived for the compressible Navier-Stokes equations expressed in generalized coordinates. The theoretical basis utilizes a Galerkin-Weighted Residuals formulation, and extremization of approximation error within the context of a multipole expansion. A von Neumann analysis for a simplified form indicates the algorithm fourth- to sixth-order phase accurate, with third-order dissipation for the elementary linear element construction. Performance is improved for the algorithm constructed using quadratic interpolation. Numerical experiments for shocked duct flows are employed to optimize the several algorithm parameters. Additional numerical solutions validate algorithm accuracy and utility for aerodynamics applications.

Baker, A. J.↗
NASA NTRS1988

MHOST: An efficient finite element program for inelastic analysis of solids and structures

An efficient finite element program for 3-D inelastic analysis of gas turbine hot section components was constructed and validated. A novel mixed iterative solution strategy is derived from the augmented Hu-Washizu variational principle in order to nodally interpolate coordinates, displacements, deformation, strains, stresses and material properties. A series of increasingly sophisticated material models incorporated in MHOST include elasticity, secant plasticity, infinitesimal and finite deformation plasticity, creep and unified viscoplastic constitutive model proposed by Walker. A library of high performance elements is built into this computer program utilizing the concepts of selective reduced integrations and independent strain interpolations. A family of efficient solution algorithms is implemented in MHOST for linear and nonlinear equation solution including the classical Newton-Raphson, modified, quasi and secant Newton methods with optional line search and the conjugate gradient method.

Nakazawa, S.↗
NASA NTRS2016

An Optimal-Estimation-Based Aerosol Retrieval Algorithm Using OMI Near-UV Observations

An optimal-estimation(OE)-based aerosol retrieval algorithm using the OMI (Ozone Monitoring Instrument) near-ultraviolet observation was developed in this study. The OE-based algorithm has the merit of providing useful estimates of errors simultaneously with the inversion products. Furthermore, instead of using the traditional lookup tables for inversion, it performs online radiative transfer calculations with the VLIDORT (linearized pseudo-spherical vector discrete ordinate radiative transfer code) to eliminate interpolation errors and improve stability. The measurements and inversion products of the Distributed Regional Aerosol Gridded Observation Network campaign in northeast Asia (DRAGON NE-Asia 2012) were used to validate the retrieved aerosol optical thickness (AOT) and single scattering albedo (SSA). The retrieved AOT and SSA at 388 nm have a correlation with the Aerosol Robotic Network (AERONET) products that is comparable to or better than the correlation with the operational product during the campaign. The OEbased estimated error represented the variance of actual biases of AOT at 388 nm between the retrieval and AERONET measurements better than the operational error estimates. The forward model parameter errors were analyzed separately for both AOT and SSA retrievals. The surface reflectance at 388 nm, the imaginary part of the refractive index at 354 nm, and the number fine-mode fraction (FMF) were found to be the most important parameters affecting the retrieval accuracy of AOT, while FMF was the most important parameter for the SSA retrieval. The additional information provided with the retrievals, including the estimated error and degrees of freedom, is expected to be valuable for relevant studies. Detailed advantages of using the OE method were described and discussed in this paper.

Air Pollution↗
NASA NTRS1999

X-33 Ascent Flight Controller Design by Trajectory Linearization: A Singular Perturbational Approach

The flight control of X-33 poses a challenge to conventional gain-scheduled flight controllers due to its large attitude maneuvers from liftoff to orbit and reentry. In addition, a wide range of uncertainties in vehicle handling qualities and disturbances must be accommodated by the attitude control system. Nonlinear tracking and decoupling control by trajectory linearization can be viewed as the ideal gain-scheduling controller designed at every point on the flight trajectory. Therefore it provides robust stability and performance at all stages of flight without interpolation of controller gains, and eliminates costly controller redesigns due to minor airframe alteration or mission reconfiguration. A prototype trajectory linearization design for X-33 ascent flight controller was designed and tested with 3-DOF and 6-DOF simulations during the 10 weeks SFFP. It is noted that the 6-DOF results were obtained from the 3-DOF design with only a few hours of tuning, which demonstrates the inherent robustness of the design technique. It is this "plug-and-play" feature that is much needed by NASA for the development, test and routine operations of the RLVs. Plans for further research are also presented.

Zhu, J. Jim↗
NASA NTRS1984

Input-output characterization of an ultrasonic testing system by digital signal analysis

The input/output characteristics of an ultrasonic testing system used for stress wave factor measurements were studied. The fundamentals of digital signal processing are summarized. The inputs and outputs are digitized and processed in a microcomputer using digital signal processing techniques. The entire ultrasonic test system, including transducers and all electronic components, is modeled as a discrete-time linear shift-invariant system. Then the impulse response and frequency response of the continuous time ultrasonic test system are estimated by interpolating the defining points in the unit sample response and frequency response of the discrete time system. It is found that the ultrasonic test system behaves as a linear phase bandpass filter. Good results were obtained for rectangular pulse inputs of various amplitudes and durations and for tone burst inputs whose center frequencies are within the passband of the test system and for single cycle inputs of various amplitudes. The input/output limits on the linearity of the system are determined.

Karaguelle, H.↗
DOE OSTI2020

Predicting metal–metal interactions. II. Accelerating generalized schemes through physical insights

Operando-computational frameworks that integrate descriptors for catalyst stability within catalyst screening paradigms enable predictions of rates and selectivity on chemically faithful representations of nanoparticles under reaction conditions. These catalyst stability descriptors can be efficiently predicted by density functional theory (DFT)-based models. The alloy stability model, for example, predicts the stability of metal atoms in nanoparticles with site-by-site resolution. In this work, we use physical insights to present accelerated approaches of parameterizing this recently introduced alloy-stability model. These accelerated approaches meld quadratic functions for the energy of metal atoms in terms of the coordination number with linear correlations between model parameters and the cohesive energies of bulk metals. By interpolating across both the coordination number and chemical space, these accelerated approaches shrink the training set size for 12 fcc p- and d-block metals from 204 to as few as 24 DFT calculated total energies without sacrificing the accuracy of our model. We validate the accelerated approaches by predicting adsorption energies of metal atoms on extended surfaces and 147 atom cuboctahedral nanoparticles with mean absolute errors of 0.10 eV and 0.24 eV, respectively. This efficiency boost will enable a rapid and exhaustive exploration of the vast material space of transition metal alloys for catalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Discussion of band selection and methodologies for the estimation of precipitable water vapour from AVIRIS data

An Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data set acquired over Canal Flats, B.C., on 14 Aug. 1990, was used for the purpose of developing methodologies for surface reflectance retrieval using the 5S atmospheric code. A scene of Rogers Dry Lake, California (23 Jul. 1990), acquired within three weeks of the Canal Flats scene, was used as a potential reference for radiometric calibration purposes and for comparison with other studies using primarily LOWTRAN7. Previous attempts at surface reflectance retrieval indicated that reflectance values in the gaseous absorption bands had the poorest accuracy. Modifications to 5S to use 1 nm step size, in order to make fuller use of the 20 cm(sup -1) resolution of the gaseous absorption data, resulted in some improvement in the accuracy of the retrieved surface reflectance. Estimates of precipitable water vapor using non-linear least squares regression and simple ratioing techniques such as the CIBR (Continuum Interpolated Band Ratio) technique or the narrow/wide technique, which relate ratios of combinations of bands to precipitable water vapor through calibration curves, were found to vary widely. The estimates depended on the bands used for the estimation; none provided entirely satisfactory surface reflectance curves.

Schanzer, Dena↗
NASA NTRS2001

On the Global Oxygen Anomaly and Air-Sea Flux

A new climatology of monthly air-sea oxygen fluxes throughout the ice-free surface global ocean is presented. The climatology is based on weighted linear least squares regressions using heat flux monthly anomalies for spatial and temporal interpolation of historical O2 data. The seasonal oceanic variations show that the tropical belt (20 S - 20 N) is characterized by relatively small air-sea fluxes when compared to the middle to high latitudes (40 deg - 70 deg). The largest and lowest seasonal fluxes occur during summer and winter in both hemispheres. By means of an atmospheric transport model we show that our climatology is in better agreement with the observed amplitude and phasing of the variations in atmospheric O2/N2 ratios because of seasonal air-sea exchanges at baseline stations in the Pacific Ocean than with previous air-sea O2 climatologies. Our study indicates that the component of the air-sea O2 flux that correlates with heat flux dominates the large-scale air-sea O2 exchange on seasonal timescales. The contribution of each major oceanic basin to the atmospheric observations is described. The seasonal net thermal (SNO(sub T)) and biological (SNO(sub B)) outgassing components of the flux are examined in relation to latitudinal bands, basin-wide, and hemispheric contributions. The Southern Hemisphere's SNO(sub B) (approximately 0.26 Pmol) and SNO(sub T) (approximately 0.29 Pmol) values are larger than the Northern Hemisphere's SNO(sub B) (approximately 0.15 Pmol) and SNO(sub T) (approximately 0.16 Pmol) values (1 Pmol = 10(exp 15) mol). We estimate a global extratropical carbon new production during the outgassing season of 3.7 Pg C (1 Pg = 10(exp 15) g), lower than previous estimates with air-sea O2 climatologies.

Garcia, Hernan E.↗