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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quantum-classical hybrid algorithm using an error-mitigating N -representability condition to compute the Mott metal-insulator transition

Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence, connectivity, and gate errors required for their experimental realization. Here we propose a class of quantumclassical hybrid algorithms that computes the energy from a two-electron reduced density matrix (2-RDM). The 2-RDM is constrained by $N$-representability conditions, constraints for representing an $N$-electron wave function, which mitigate noise from the quantum circuit. We compute the strongly correlated dissociation of doublet H 3 into three hydrogen atoms. The hybrid quantum-classical computer matches the energies from full configuration interaction to 0.1 kcal/mol, one-tenth of “chemical accuracy,” even in the strongly correlated limit of dissociation. Furthermore, the spatial locality of the computed one-electron RDM reveals that the quantum computer accurately predicts the Mott metal-insulator transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

(abstract) Overview of NASA's Adaptive Structures Program

NASA's research program in Adaptive Structures was initiated seven years ago to provide the technology required for large (20-50 meters in dimension) precision (submicron) structures for observations from space. The current approach of designing thermally stable passive structures cannot meet the requirements and moreover the systems cannot be validated by ground tests. Adaptive Structures provides the capability to adjust the quasistatic dimensions of the structures, preload joints, add active damping, and provide the actuation forces necessary to attenuate the undesired dynamic motions. The technology is applicable to space platforms with various pointing instruments as well as for microspacecraft. This technology has been incorporated as part of a small Active Fold Mirror on the Wide Field Planetary Camera to be flown within the year to correct the optical errors in the Hubble Telescope. Highlights of NASA's Adaptive Structures research and applications will be presented along with future technology and research requirements for both small inexpensive spacecraft and large precision systems.

adaptive↗
NASA NTRS2004

Evaluation and Application of Satellite-Based Latent Heating Profile Estimation Methods

In recent years, methods for estimating atmospheric latent heating vertical structure from both passive and active microwave remote sensing have matured to the point where quantitative evaluation of these methods is the next logical step. Two approaches for heating algorithm evaluation are proposed: First, application of heating algorithms to synthetic data, based upon cloud-resolving model simulations, can be used to test the internal consistency of heating estimates in the absence of systematic errors in physical assumptions. Second, comparisons of satellite-retrieved vertical heating structures to independent ground-based estimates, such as rawinsonde-derived analyses of heating, provide an additional test. The two approaches are complementary, since systematic errors in heating indicated by the second approach may be confirmed by the first. A passive microwave and combined passive/active microwave heating retrieval algorithm are evaluated using the described approaches. In general, the passive microwave algorithm heating profile estimates are subject to biases due to the limited vertical heating structure information contained in the passive microwave observations. These biases may be partly overcome by including more environment-specific a priori information into the algorithm s database of candidate solution profiles. The combined passive/active microwave algorithm utilizes the much higher-resolution vertical structure information provided by spaceborne radar data to produce less biased estimates; however, the global spatio-temporal sampling by spaceborne radar is limited. In the present study, the passive/active microwave algorithm is used to construct a more physically-consistent and environment-specific set of candidate solution profiles for the passive microwave algorithm and to help evaluate errors in the passive algorithm s heating estimates. Although satellite estimates of latent heating are based upon instantaneous, footprint- scale data, suppression of random errors requires averaging to at least half-degree resolution. Analysis of mesoscale and larger space-time scale phenomena based upon passive and passive/active microwave heating estimates from TRMM, SSMI, and AMSR data will be presented at the conference.

Olson, William S.↗
NASA NTRS1999

Multi-Dimensional Quantum Tunneling and Transport Using the Density-Gradient Model

We show that quantum effects are likely to significantly degrade the performance of MOSFETs (metal oxide semiconductor field effect transistor) as these devices are scaled below 100 nm channel length and 2 nm oxide thickness over the next decade. A general and computationally efficient electronic device model including quantum effects would allow us to monitor and mitigate these effects. Full quantum models are too expensive in multi-dimensions. Using a general but efficient PDE solver called PROPHET, we implemented the density-gradient (DG) quantum correction to the industry-dominant classical drift-diffusion (DD) model. The DG model efficiently includes quantum carrier profile smoothing and tunneling in multi-dimensions and for any electronic device structure. We show that the DG model reduces DD model error from as much as 50% down to a few percent in comparison to thin oxide MOS capacitance measurements. We also show the first DG simulations of gate oxide tunneling and transverse current flow in ultra-scaled MOSFETs. The advantages of rapid model implementation using the PDE solver approach will be demonstrated, as well as the applicability of the DG model to any electronic device structure.

Biegel, Bryan A.↗
NASA NTRS1986

Active Control Evaluation for Spacecraft (ACES)

The Air Force goal is to develop vibration control techniques for large flexible spacecraft by addressing sensor, actuator, and control hardware and dynamic testing. The Active Control Evaluation for Spacecraft (ACES) program will address the Air Force goal by looking at two leading control techniques and implementing them on a structural model of a flexible spacecraft under laboratory testing. The first phase in the ACES program is to review and to assess the High Authority Control/Low Authority Control (HAC/LAC) and Filter accomodated Model Error Sensitivity Suppression (FAMESS) control techniques for testing on the modified VCOSS structure. Appropriate sensors and actuators will be available for use with both techniques; locations will be the same for both techniques. The control actuators will be positioned at the midpoint and free end of the structure. The laser source for the optical sensor is mounted on the feed mast. The beam will be reflected from a mirror on the offset antenna onto the detectors mounted above the shaker table bay. The next phase is to develop an analysis simulation with the control algorithms implemented for dynamics verification. The third phase is to convert the control laws into high level computer language and test them in the NASA-MSFC facility. The final phase is to compile all analytical and test results for performance comparisons.

Pearson, J.↗
NASA NTRS1989

Multiple boundary condition testing error analysis

Techniques for interpreting data from multiple-boundary-condition (MBC) ground tests of large space structures are developed analytically and demonstrated. The use of MBC testing to validate structures too large to stand alone on the ground is explained; the generalized least-squares mass and stiffness curve-fitting methods typically applied to MBC test data are reviewed; and a detailed error analysis is performed. Consideration is given to sensitivity coefficients, covariance-matrix theory, the correspondence between test and analysis modes, constraints and step sizes, convergence criteria, and factor-analysis theory. Numerical results for a simple beam problem are presented in tables and briefly characterized. The improved error-updating capabilities of MBC testing are confirmed, and it is concluded that reasonably accurate results can be obtained using a diagonal covariance matrix.

Glaser, R. J.↗
NASA NTRS1986

The benefits of bottom-up design

An inconsistency is examined in generic top-down design methods and standards employed in the implementation of reliable software. Many design approaches adopt top-down ordering when defining the structure, interfaces, and processing of a system. However, strict adherence to a top-down sequencing does not permit accurate description of a system's error handling functions. The design of the system response to errors is becoming critical as the reliability requirements of systems increase. How top-down methods such as object oriented design and structured design do not adequately address the issues of error handling is described, and it is suggested using a bottom-up substep within these methods to eliminate the problem.

Mcfarland, Gregory↗
NASA NTRS2019

TPSAS-NF1676L-32967-DND

The Stratospheric Aerosol and Gas Experiment III (SAGE III) was delivered to the International Space Station (ISS) on 23 February 2017. The SAGE III payload was robotically installed on Ex-PRESS Logistics Carrier-4 (ELC-4) on the S3 Truss and began acquiring science measurements on 17 March 2017. The SAGE III telescope and instrument assembly employs the methods of solar occultation and lunar occultation to retrieve near-global vertical profiles of atmospheric ozone, water vapor, nitrogen dioxide, multiwavelength aerosol extinctions, and other gaseous species and atmospheric state parameters. The activities on the ISS contribute to a dynamic operational environment. The attitude changes, EVAs, and the arrival and departure of vehicles require continual consideration when operating. After operating for two years, the SAGE III payload has planned over 20,000 occultation events and acquired approximately 17,000. A significant number of the missed events were because of visiting vehicles blocking the field of view. Using instrument data from these blocked events, the SAGE III team has mapped the structure of the ISS from the perspective of the instrument. Error Correction and Detection (EDAC) methods are necessary to preserve the functionality of the instrument software. On SAGE III the Hexapod Electrical Unit (HEU), which controls the orientation of the telescope, reports whenever an EDAC occurs. By analyzing the EDAC messages in the HEU telemetry, information concerning the orbital environment of the ISS can be obtained. To be presented is a summary of operational considerations when working on ISS along with how instrument data can be used to map the structural and electromagnetic environment of ISS.

Andrew J Peterson↗
NASA NTRS2000

Accelerating Time-Varying Hardware Volume Rendering Using TSP Trees and Color-Based Error Metrics

This paper describes a new hardware volume rendering algorithm for time-varying data. The algorithm uses the Time-Space Partitioning (TSP) tree data structure to identify regions within the data that have spatial or temporal coherence. By using this coherence, the rendering algorithm can improve performance when the volume data is larger than the texture memory capacity by decreasing the amount of textures required. This coherence can also allow improved speed by appropriately rendering flat-shaded polygons instead of textured polygons, and by not rendering transparent regions. To reduce the polygonization overhead caused by the use of the hierarchical data structure, we introduce an optimization method using polygon templates. The paper also introduces new color-based error metrics, which more accurately identify coherent regions compared to the earlier scalar-based metrics. By showing experimental results from runs using different data sets and error metrics, we demonstrate that the new methods give substantial improvements in volume rendering performance.

Ellsworth, David↗
NASA NTRS1992

Experiments on active isolation using distributed PVDF error sensors

A control system based on a two-channel narrow-band LMS algorithm is used to isolate periodic vibration at low frequencies on a structure composed of a rigid top plate mounted on a flexible receiving plate. The control performance of distributed PVDF error sensors and accelerometer point sensors is compared. For both sensors, high levels of global reduction, up to 32 dB, have been obtained. It is found that, by driving the PVDF strip output voltage to zero, the controller may force the structure to vibrate so that the integration of the strain under the length of the PVDF strip is zero. This ability of the PVDF sensors to act as spatial filters is especially relevant in active control of sound radiation. It is concluded that the PVDF sensors are flexible, nonfragile, and inexpensive and can be used as strain sensors for active control applications of vibration isolation and sound radiation.

Lefebvre, S.↗
NASA NTRS1989

Figure control concepts for segmented reflector telescopes

Control analysis activities related to the development of figure control technologies for large space telescopes with precision segmented actively controlled primary reflectors are reviewed. The Precision Segmented Reflector (PSR) configuration is described along with the development and use of the PSR models. Geometric and dynamic models, characterization of figure estimation errors and optimal sensor placement, and the development of quasi-static and dynamic control concepts are outlined. The structure of a quasi-static controller is presented, that utilizes edge sensor measurements to estimate displacement errors at the actuator level and generates figure correction commands. The second approach considers decentralization of the reflector system at the panel level, while the third considers decentralization at the actuator level.

Boussalis, D.↗
NASA NTRS1987

The error associated with use of various forms of the divergence equation to diagnose geopotential and temperature

This study utilizes a model-generated data set to evaluate the errors associated with the diagnosis of geopotential height using three approximate forms of the divergence equation (DE). The DE was solved on the original sigma-coordinate surfaces of the model to exclude any error produced in the process of interpolating the data from observation points to the coordinate surface of the DE. An inviscid, nonlinear, divergent DE produced rms geopotential height errors as large as 3 m and rms temperature errors of over 26 C in the lower planetary boundary layer (PBL), with minimal errors above 800 mb. Elimination of the isobaric divergence in the velocity field caused additional height errors of 5-6 m and temperature errors of 0.4-1.2 C in the free troposphere. Use of a further-degraded DE without nonlinear terms caused height errors of 10-15 m in the upper troposphere with modestly increased temperature errors. Error fields at all levels had synoptic-scale features, with some mesoalpha structure. No spatial noise was apparent. Use of a temporal spectral filter to eliminate high-frequency modes from the model-generated data did not significantly influence the error associated with use of various forms of the DE.

Modica, George M.↗
DOE OSTI2024

Structure Sensitive Reaction Kinetics of Chiral Molecules on Intrinsically Chiral Surfaces

Enantiospecific heterogeneous catalysis utilizes chiral surfaces to resolve enantiomers via structure sensitive surface chemistry. The catalyst design challenge is the identification of chiral surface structures that maximize enantiospecificity. Herein, we develop data driven models for the enantiospecificity of tartaric acid reactions on chiral Cu(hkl) R&S surfaces. Measurements of enantiospecific rate constants were obtained by using curved Cu(hkl) R&S surfaces that enable kinetic measurements on hundreds of chiral surface orientations. One model uses feature vectors derived from generalized coordination numbers to capture the local structure around Cu atoms exposed by the Cu(hkl) R&S surfaces. The second model introduces the use of chiral cubic harmonic functions to capture the symmetry constraints of the face-centered cubic Cu structure. The model using 58 generalized coordination numbers has a fitting error similar to that of the model using only 5 cubic harmonic functions. The two models predict maxima in the enantiospecificity on surfaces with very similar surface orientations. The models developed in this work are applicable for any enantiospecific reaction happening on any chiral material with a cubic lattice structure, opening the way to understanding the surface structure sensitivity of the enantiospecific reaction kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

ESM data downscaling: a comparison of super-resolution deep learning models

Abstract Climate projections at fine spatial resolutions are required to conduct accurate risk assessment for critical infrastructure and design adaptation planning. Generating these projections using advanced Earth system models (ESM) requires significant computational resources. To address this issue, various statistical downscaling techniques have been introduced to generate fine-resolution data from coarse-resolution simulations. In this study, we evaluate and compare five deep learning-based downscaling techniques, namely, super-resolution convolutional neural networks, fast super-resolution convolutional neural network ESM, efficient sub-pixel convolutional neural network, enhanced deep residual network (EDRN), and super-resolution generative adversarial network (SRGAN). These techniques are applied to a dataset generated by the Energy Exascale Earth System Model (E3SM), focusing on key surface variables such as surface temperature, shortwave heat flux, and longwave heat flux. Models are trained and validated using paired fine-resolution (0.25 $$^{\circ }$$ ∘ ) and coarse-resolution (1 $$^{\circ }$$ ∘ ) monthly data obtained from a 9-year simulation. Next, blind testing is performed using monthly data obtained from two different years outside of the training and validation set. To evaluate the efficiency of each technique, different statistical metrics are used, including mean squared error (MSE), peak signal-to-noise ratio (PSNR), structural similarity index measure (SSIM), and learned perceptual image patch similarity (LPIPS). The results show that EDRN outperforms other algorithms in terms of PSNR, SSIM, and MSE, but struggles to capture fine-scale features in the data. In contrast, SRGAN, a generative model that uses perceptual loss, excels in capturing fine details at boundaries and internal structures, resulting in lower LPIPS than other methods.

Pawar, Nikhil M. (ORCID:0000000211613289)↗
DOE OSTI2022

Numerical simulations of noisy quantum circuits for computational chemistry

The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the behavior of these noisy quantum circuits using numerical simulations to estimate the accuracy and fidelity of the prepared quantum states relative to the ground truth obtained by conventional means. We implement several different types of ansatz circuits derived from unitary coupled cluster theory for the purposes of estimating the ground-state energy of sodium hydride using the variational quantum eigensolver algorithm. We show how relative error in the energy and the fidelity scale with the levels of gate-based noise, the internuclear configuration, the ansatz circuit depth, and the parameter optimization methods.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Adjoint-optimized nanoscale light extractor for nitrogen-vacancy centers in diamond

Abstract We designed a nanoscale light extractor (NLE) for the efficient outcoupling and beaming of broadband light emitted by shallow, negatively charged nitrogen-vacancy (NV) centers in bulk diamond. The NLE consists of a patterned silicon layer on diamond and requires no etching of the diamond surface. Our design process is based on adjoint optimization using broadband time-domain simulations and yields structures that are inherently robust to positioning and fabrication errors. Our NLE functions like a transmission antenna for the NV center, enhancing the optical power extracted from an NV center positioned 10 nm below the diamond surface by a factor of more than 35, and beaming the light into a ±30° cone in the far field. This approach to light extraction can be readily adapted to other solid-state color centers.

42 ENGINEERING↗
NASA NTRS1982

Interplanetary gas. XXVIII - A study of the three-dimensional properties of interplanetary sector boundaries using disconnection events in cometary plasma tails

Studies of the solar wind on the basis of cometary plasma tail observations are considered. Niedner and Brandt (1978, 1979) have concluded that the plasma tail frequently disconnects from the cometary head, and that these disconnection events (DEs) are produced by magnetic reconnection at sector boundary passages. They proposed that the disconnections are a natural combination of Alfven's model and the solar-wind sector structure first discovered by Wilcox and Ness (1965). The DEs can be utilized as probes of interplanetary sector structure. Correlations between DEs and sector boundaries observed at earth are considered, and sector boundary properties deduced from DEs are discussed. Attention is given to a review of the warped sheet model, the latitude extent of sector structure, the sector boundary tilt, and specific sources of error in the tilt angles derived from DEs.

Niedner, M. B., Jr.↗