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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Assessing the Limitations of Self-Interaction-Corrected Functionals for Describing the Hydrated Electron

Simulating the hydrated electron using density functional theory is challenging due to the prevalence of self-interaction error in standard functionals. Hybrid functionals like PBEh(40) can reasonably describe the chemistry of an excess electron in water and partially mitigate self-interaction error by incorporating exact Hartree–Fock exchange, but they are computationally expensive making them impractical for large-scale and long-time ab initio molecular dynamics simulations. Explicit self-interaction correction schemes that are applied on an orbital-by-orbital basis offer a potential alternative when the correction is limited to the singly occupied molecular orbital obtained with a generalized gradient approximation functional. Here, we examine whether the Perdew–Zunger self-interaction correction scheme applied to the revPBE functional can provide a computationally efficient and physically sensible alternative to PBEh(40) for the hydrated electron. We find that functionals incorporating a self-interaction correction scheme should be viewed with caution when applied to the hydrated electron and its reactivity. Furthermore, we show that it is critical to consider extensive sampling and diverse chemical environments when validating their performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Single-Frequency GPS Relative Navigation in a High Ionosphere Orbital Environment

The Global Positioning System (GPS) provides a convenient source for space vehicle relative navigation measurements, especially for low Earth orbit formation flying and autonomous rendezvous mission concepts. For single-frequency GPS receivers, ionospheric path delay can be a significant error source if not properly mitigated. In particular, ionospheric effects are known to cause significant radial position error bias and add dramatically to relative state estimation error if the onboard navigation software does not force the use of measurements from common or shared GPS space vehicles. Results from GPS navigation simulations are presented for a pair of space vehicles flying in formation and using GPS pseudorange measurements to perform absolute and relative orbit determination. With careful measurement selection techniques relative state estimation accuracy to less than 20 cm with standard GPS pseudorange processing and less than 10 cm with single-differenced pseudorange processing is shown.

Conrad, Patrick R.↗
DOE OSTI2024

Quantum error thresholds for gauge-redundant digitizations of lattice field theories

In the quantum simulation of lattice gauge theories, gauge symmetry can be either fixed or encoded as a redundancy of the Hilbert space. While gauge-fixing reduces the number of qubits, keeping the gauge redundancy can provide code space to mitigate and correct quantum errors by checking and restoring Gauss’s law. In this work, we consider the correctable errors for generic finite gauge groups and design the quantum circuits to detect and correct them. We calculate the error thresholds below which the gauge-redundant digitization with Gauss’s law error correction has better fidelity than the gauge-fixed digitization involving only gauge-invariant states. Our results provide guidance for fault-tolerant quantum simulations of lattice gauge theories. Published by the American Physical Society 2024

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Vehicle Localization in 3D World Coordinates Using Single Camera at Traffic Intersection

Optimizing traffic control systems at traffic intersections can reduce the network-wide fuel consumption, as well as emissions of conventional fuel-powered vehicles. While traffic signals have been controlled based on predetermined schedules, various adaptive signal control systems have recently been developed using advanced sensors such as cameras, radars, and LiDARs. Among these sensors, cameras can provide a cost-effective way to determine the number, location, type, and speed of the vehicles for better-informed decision-making at traffic intersections. In this research, a new approach for accurately determining vehicle locations near traffic intersections using a single camera is presented. For that purpose, a well-known object detection algorithm called YOLO is used to determine vehicle locations in video images captured by a traffic camera. YOLO draws a bounding box around each detected vehicle, and the vehicle location in the image coordinates is converted to the world coordinates using camera calibration data. During this process, a significant error between the center of a vehicle’s bounding box and the real center of the vehicle in the world coordinates is generated due to the angled view of the vehicles by a camera installed on a traffic light pole. As a means of mitigating this vehicle localization error, two different types of regression models are trained and applied to the centers of the bounding boxes of the camera-detected vehicles. The accuracy of the proposed approach is validated using both static camera images and live-streamed traffic video. Based on the improved vehicle localization, it is expected that more accurate traffic signal control can be made to improve the overall network-wide energy efficiency and traffic flow at traffic intersections.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Advocating Feedback Control for Human-Earth System Applications

This paper proposes a feedback control perspective for Human-Earth Systems (HESs) which essentially are complex systems that capture the interactions between humans and nature. Recent attention in HES research has been directed towards devising strategies for climate change mitigation and adaptation, aimed at achieving environmental and societal objectives. However, existing approaches heavily rely on HES models, which inherently suffer from inaccuracies due to the complexity of the system. Moreover, overly detailed models often prove impractical for optimization tasks. We propose a framework inheriting from feedback control strategies the robustness against model errors, because inaccuracies are mitigated using measurements retrieved from the field. The framework comprises two nested control loops. The outer loop computes the optimal inputs to the HES, which are then implemented by actuators controlled in the inner loop. Potential fields of applications are also identified and a numerical example is provided.

biological system modeling↗
DOE OSTI2021

Correlated charge noise and relaxation errors in superconducting qubits

In This report, the central challenge in building a quantum computer is error correction. Unlike classical bits, which are susceptible to only one type of error, quantum bits (“qubits”) are susceptible to two types of error, corresponding to flips of the qubit state about the X- and Z-directions. While the Heisenberg Uncertainty Principle precludes simultaneous monitoring of X- and Z-flips on a single qubit, it is possible to encode quantum information in large arrays of entangled qubits that enable accurate monitoring of all errors in the system, provided the error rate is low. Another crucial requirement is that errors cannot be correlated. Here, we characterize a superconducting multiqubit circuit and find that charge fluctuations are highly correlated on a length scale over 600 µm; moreover, discrete charge jumps are accompanied by a strong transient suppression of qubit energy relaxation time across the millimeter-scale chip. The resulting correlated errors are explained in terms of the charging event and phonon-mediated quasiparticle poisoning associated with absorption of gamma rays and cosmic-ray muons in the qubit substrate. Robust quantum error correction will require the development of mitigation strategies to protect multiqubit arrays from correlated errors due to particle impacts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Spin-crossover complexes: Self-interaction correction vs density correction

Complexes containing a transition metal atom with a 3d 4 –3d 7 electron configuration typically have two low-lying, high-spin (HS) and low-spin (LS) states. The adiabatic energy difference between these states, known as the spin-crossover energy, is small enough to pose a challenge even for electronic structure methods that are well known for their accuracy and reliability. In this work, we analyze the quality of electronic structure approximations for spin-crossover energies of iron complexes with four different ligands by comparing energies from self-consistent and post-self-consistent calculations for methods based on the random phase approximation and the Fermi–Löwdin self-interaction correction. Considering that Hartree–Fock densities were found by Song et al., J. Chem. Theory Comput. 14, 2304 (2018), to eliminate the density error to a large extent, and that the Hartree–Fock method and the Perdew–Zunger-type self-interaction correction share some physics, we compare the densities obtained with these methods to learn their resemblance. Here, we find that evaluating non-empirical exchange-correlation energy functionals on the corresponding self-interaction-corrected densities can mitigate the strong density errors and improves the accuracy of the adiabatic energy differences between HS and LS states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Science camera calibration for extreme adaptive optics

The nascent field of planet detection has yielded a host of extra-solar planet detections. To date, these detections have been the result of indirect techniques: the planet is inferred by precisely measuring its effect on the host star. Direct observation of extra-solar planets remains a challenging yet compelling goal. In this vein, the Center for Adaptive Optics has proposed a ground-based, high-actuator density extreme A0 system (XAOPI), for a large (~10 m) telescope whose ultimate goal is to directly evidence a specific class of these objects: young and massive planets. Detailed system wave-front error budgets suggest that this system is a feasible, if not an ambitious, proposition. One key element in this error budget is the calibration and maintenance of the science camera wave front with respect to the wave-front sensor which currently as an allowable contribution of ~ 5 nanometers rms. This talk first summarizes the current status of calibration on existing ground-based A0 systems, the magnitude of this effect in the system error budget and current techniques for mitigation. Subsequently, we will explore the nature of this calibration error term, it's source in the non-commonality between the science camera and wave front sensor, and the effect of the temporal evolution of non-commonality. Finally, we will describe preliminary plans for sensing and controlling this error term. The sensing techniques include phase retrieval, phase contrast and external metrology. To conclude, a calibration scenario that meets the stringent requirement for XAOPI will be discussed.

MacIntosh, Bruce↗
NASA NTRS2012

A Nonlinear Adaptive Filter for Gyro Thermal Bias Error Cancellation

Deterministic errors in angular rate gyros, such as thermal biases, can have a significant impact on spacecraft attitude knowledge. In particular, thermal biases are often the dominant error source in MEMS gyros after calibration. Filters, such as J\,fEKFs, are commonly used to mitigate the impact of gyro errors and gyro noise on spacecraft closed loop pointing accuracy, but often have difficulty in rapidly changing thermal environments and can be computationally expensive. In this report an existing nonlinear adaptive filter is used as the basis for a new nonlinear adaptive filter designed to estimate and cancel thermal bias effects. A description of the filter is presented along with an implementation suitable for discrete-time applications. A simulation analysis demonstrates the performance of the filter in the presence of noisy measurements and provides a comparison with existing techniques.

Galante, Joseph M.↗
DOE OSTI2022

DeepAdversaries: examining the robustness of deep learning models for galaxy morphology classification

With increased adoption of supervised deep learning methods for work with cosmological survey data, the assessment of data perturbation effects (that can naturally occur in the data processing and analysis pipelines) and the development of methods that increase model robustness are increasingly important. In the context of morphological classification of galaxies, we study the effects of perturbations in imaging data. In particular, we examine the consequences of using neural networks when training on baseline data and testing on perturbed data. We consider perturbations associated with two primary sources: (a) increased observational noise as represented by higher levels of Poisson noise and (b) data processing noise incurred by steps such as image compression or telescope errors as represented by one-pixel adversarial attacks. We also test the efficacy of domain adaptation techniques in mitigating the perturbation-driven errors. We use classification accuracy, latent space visualizations, and latent space distance to assess model robustness in the face of these perturbations. For deep learning models without domain adaptation, we find that processing pixel-level errors easily flip the classification into an incorrect class and that higher observational noise makes the model trained on low-noise data unable to classify galaxy morphologies. On the other hand, we show that training with domain adaptation improves model robustness and mitigates the effects of these perturbations, improving the classification accuracy up to 23% on data with higher observational noise. Domain adaptation also increases up to a factor of ${\approx}2.3$ the latent space distance between the baseline and the incorrectly classified one-pixel perturbed image, making the model more robust to inadvertent perturbations. Successful development and implementation of methods that increase model robustness in astronomical survey pipelines will help pave the way for many more uses of deep learning for astronomy.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2021

LUVOIR-ECLIPS Closed-Loop Adaptive Optics Performance and Contrast Predictions

One of the primary science goals of the Large UV/Optical/Infrared Surveyor (LUVOIR) mission concept is to detect and characterize Earth-like exoplanets orbiting nearby stars with direct imaging. The success of its coronagraph instrument ECLIPS (Extreme Coronagraph for Living Planetary Systems) depends on the ability to stabilize the wavefront from a large segmented mirror such that optical path differences are limited to tens of picometers RMS during an exposure time of a few hours. In order to relax the constraints on the mechanical stability, ECLIPS will be equipped with a wavefront sensing and control (WS\&C) architecture to correct wavefront errors up to temporal frequencies $\gtrsim$1 Hz. These errors may be dominated by spacecraft structural dynamics exciting vibrations at the segmented primary mirror. In this work, we present detailed simulations of the WS\&C system within the ECLIPS instrument and the resulting contrast performance. This study assumes wavefront aberrations based on a finite element model of a simulated telescope with spacecraft structural dynamics. Wavefront residuals are then computed according to a model of the adaptive optics system that includes numerical propagation to simulate a realistic wavefront sensor and an analytical model of the temporal performance. An end-to-end numerical propagation model of ECLIPS is then used to estimate the residual starlight intensity distribution at the science detector. We show that the contrast performance depends strongly on the target star magnitude and the spatio-temporal distribution of wavefront errors from the telescope. In cases with significant vibration, we advocate for the use of laser metrology to mitigate high temporal frequency wavefront errors and increase the mission yield.

Sirbu, Dan↗
NASA NTRS2004

Toward a Global Map of Raindrop Size Distributions: Rain-Type Classification and Its Implications for Validating Global Rainfall Products - Part 1

Variability in the global distribution of precipitation is recognized as a key element in assessing the impact of climate change for life on earth. The response of precipitation to climate forcings is, however, poorly understood because of discrepancies in the magnitude and sign of climatic trends in satellite-based rainfall estimates. Quantifying and ultimately removing these biases is critical for studying the response of the hydrologic cycle to climate change. In addition, estimates of random errors owing to variability in algorithm assumptions on local spatial and temporal scales are critical for establishing how strongly their products should be weighted in data assimilation or model validation applications and for assigning a level of confidence to climate trends diagnosed from the data. This paper explores the potential for refining assumed drop size distributions (DSDs) in global radar rainfall algorithms by establishing a link between satellite observables and information gleaned from regional validation experiments where polarimetric radar, Doppler radar, and disdrometer measurements can be used to infer raindrop size distributions. By virtue of the limited information available in the satellite retrieval framework, the current method deviates from approaches adopted in the ground-based radar community that attempt to relate microphysical processes and resultant DSDs to local meteorological conditions. Instead, the technique exploits the fact that different microphysical pathways for rainfall production are likely to lead to differences in both the DSD of the resulting raindrops and the three-dimensional structure of associated radar reflectivity profiles. Objective rain-type classification based on the complete three-dimensional structure of observed reflectivity profiles is found to partially mitigate random and systematic errors in DSDs implied by differential reflectivity measurements. In particular, it is shown that vertical and horizontal reflectivity structure obtained from spaceborne radar can be used to reproduce significant differences in Z(sub dr) between the easterly and westerly climate regimes observed in the Tropical Rainfall Measuring Mission Large-scale Biosphere-Atmosphere (TRMM-LBA) field experiment as well as the even larger differences between Amazonian rainfall and that observed in eastern Colorado. As such, the technique offers a potential methodology for placing locally observed DSD information into a global framework.

L'Ecuyer, Tristan S.↗
DOE OSTI2023

Numerical discreteness errors in multispecies cosmological N -body simulations

ABSTRACT We present a detailed analysis of numerical discreteness errors in two-species, gravity-only, cosmological simulations using the density power spectrum as a diagnostic probe. In a simple set-up where both species are initialized with the same total matter transfer function, biased growth of power forms on small scales when the solver force resolution is finer than the mean interparticle separation. The artificial bias is more severe when individual density and velocity transfer functions are applied. In particular, significant large-scale offsets in power are measured between simulations with conventional offset grid initial conditions when compared against converged high-resolution results where the force resolution scale is matched to the interparticle separation. These offsets persist even when the cosmology is chosen so that the two particle species have the same mass, indicating that the error is sourced from discreteness in the total matter field as opposed to unequal particle mass. We further investigate two mitigation strategies to address discreteness errors: the frozen potential method and softened interspecies short-range forces. The former evolves particles under the approximately ‘frozen’ total matter potential in linear theory at early times, while the latter filters cross-species gravitational interactions on small scales in low-density regions. By modelling closer to the continuum limit, both mitigation strategies demonstrate considerable reductions in large-scale power spectrum offsets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Photoelectron spectra of early 3 d -transition metal dioxide molecular anions from GW calculations

Photoelectron spectra of early 3 d -transition metal dioxide anions, Sc O 2 - , Ti O 2 - , V O 2 - , Cr O 2 - , and Mn O 2 - , are calculated using semilocal and hybrid density functional theory (DFT) and many-body perturbation theory within the GW approximation using one-shot perturbative and eigenvalue self-consistent formalisms. Different levels of theory are compared with each other and with available photoelectron spectra. We show that one-shot GW with a PBE0 starting point ( G 0 W 0 @PBE0) consistently provides very good agreement for all experimentally measured binding energies (within 0.1 eV–0.2 eV or less). We attribute this to the success of PBE0 in mitigating self-interaction error and providing good quasiparticle wave functions, which renders a first-order perturbative GW correction effective. One-shot GW calculations with a Perdew–Burke–Ernzerhof (PBE) starting point do poorly in predicting electron removal energies by underbinding orbitals with typical errors near 1.5 eV. A higher exact exchange amount of 50% in the DFT starting point of one-shot GW does not provide very good agreement with experiment by overbinding orbitals with typical errors near 0.5 eV. While not as accurate as G 0 W 0 @PBE0, the G -only eigenvalue self-consistent GW scheme with W fixed to the PBE level provides a reasonably predictive level of theory (typical errors near 0.3 eV) to describe photoelectron spectra of these 3 d -transition metal dioxide anions. Adding eigenvalue self-consistency also in W , on the other hand, worsens the agreement with experiment overall. Overall, our findings on the performance of various GW methods are discussed in the context of our previous studies on other transition metal oxide molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Fast Sideband Control of a Multimode Cavity Memory with Weak Dispersive Coupling to a Transmon

Mitigating ancilla-mediated error channels is a critical challenge in controlling high-quality superconducting cavities using circuit quantum electrodynamics (cQED). We address this by weakening the dispersive coupling while demonstrating fast, high-fidelity multimode control through transmon-mediated sideband interactions. We implement transmon-cavity SWAP gates with speeds up to 30 times larger than the bare dispersive coupling. Combined with transmon rotations, this enables universal state preparation in a single mode, though achieving unitary gates and extending control to multiple modes remains a challenge. In this work, we overcome this limitation by introducing two control strategies: (i) a shelving technique that stores populations in sideband-transparent states, and (ii) a method that exploits the dispersive shift to implement photon-number-selective transmon-cavity SWAP gates. We use these protocols to prepare Fock and binomial code states across any of the ten modes of a multimode cavity with millisecond coherence times—serving as a multimode quantum memory. We demonstrate unitaries that encode and decode an arbitrary qubit state from the transmon into corresponding vacuum and Fock state superpositions, as well as entangled NOON states of cavity mode pairs—a scheme extendable to arbitrary multimode Fock encodings in the cavity modes. Furthermore, we implement a new binomial encoding gate that converts arbitrary transmon superpositions into binomial code states in any cavity mode at a rate exceeding the dispersive shifts in our system, achieving an average post-selected state fidelity of 96.3% in a 4 μ⁢s gate time. By using precalibrated transmon and sideband pulses, our work demonstrates multimode control with significantly reduced calibration overhead, enabling efficient unitary operations using sideband interactions in multimode cQED systems.

Huang, Jordan [Rutgers Univ., Piscataway, NJ (Unit↗
NASA NTRS1984

Autonomous Integrated Receive System (AIRS) requirements definition. Volume 2: Design and development

Functional requirements and specifications are defined for an autonomous integrated receive system (AIRS) to be used as an improvement in the current tracking and data relay satellite system (TDRSS), and as a receiving system in the future tracking and data acquisition system (TDAS). The AIRS provides improved acquisition, tracking, bit error rate (BER), RFI mitigation techniques, and data operations performance compared to the current TDRSS ground segment receive system. A computer model of the AIRS is used to provide simulation results predicting the performance of AIRS. Cost and technology assessments are included.

Chie, C. M.↗
NASA NTRS1997

Results of the Compensated Earth-Moon-Earth Retroreflector Laser Link (CEMERLL) Experiment

Adaptive optics techniques can be used to realize a robust low bit-error-rate link by mitigating the atmosphere-induced signal fades in optical communications links between ground-based transmitters and deep-space probes. Phase I of the Compensated Earth-Moon-Earth Retroreflector Laser Link (CEMERLL) experiment demonstrated the first propagation of an atmosphere-compensated laser beam to the lunar retroreflectors. A 1.06-micron Nd:YAG laser beam was propagated through the full aperture of the 1.5-m telescope at the Starfire Optical Range (SOR), Kirtland Air Force Base, New Mexico, to the Apollo 15 retroreflector array at Hadley Rille. Laser guide-star adaptive optics were used to compensate turbulence-induced aberrations across the transmitter's 1.5-m aperture. A 3.5-m telescope, also located at the SOR, was used as a receiver for detecting the return signals. JPL-supplied Chebyshev polynomials of the retroreflector locations were used to develop tracking algorithms for the telescopes. At times we observed in excess of 100 photons returned from a single pulse when the outgoing beam from the 1.5-m telescope was corrected by the adaptive optics system. No returns were detected when the outgoing beam was uncompensated. The experiment was conducted from March through September 1994, during the first or last quarter of the Moon.

Wilson, K. E.↗