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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Precision Optical Edges for a Starshade External Occulter

The use of a starshade is one technique to perform high contrast imaging with space-based telescopes. The primary function of a starshade is to suppress light from a target star in order to image its orbiting planets. In order to provide the proper apodization function the edges of the starshade must follow a precise in-plane profile. However of equal importance is the issue of light from our own sun scattering off of the edges and entering the telescope. A method to alleviate this problem is to make the edges extremely sharp (< 1 µmterminal radius) such that the area available for scattering is minimized. The combination of these two requirements, along with the need to integrate the edges into a 30-40 m dia. deployable structure, present a number of significant engineering challenges. Substrate etching techniques are used to obtain both the intended profile as well as the edge sharpness. Current efforts implement an isotropic etching process on thin metal substrates. This paper discusses the progress towards producing a sharp optical edge at the coupon level. Samples have been characterized using scanning electron microscopy as well as a custom testbed to assess their scattered-light performance.

starshade↗
NASA NTRS1993

A path-oriented matrix-based knowledge representation system

Experience has shown that designing a good representation is often the key to turning hard problems into simple ones. Most AI (Artificial Intelligence) search/representation techniques are oriented toward an infinite domain of objects and arbitrary relations among them. In reality much of what needs to be represented in AI can be expressed using a finite domain and unary or binary predicates. Well-known vector- and matrix-based representations can efficiently represent finite domains and unary/binary predicates, and allow effective extraction of path information by generalized transitive closure/path matrix computations. In order to avoid space limitations a set of abstract sparse matrix data types was developed along with a set of operations on them. This representation forms the basis of an intelligent information system for representing and manipulating relational data.

Feyock, Stefan↗
NASA NTRS2000

Intensive HST, RXTE, and ASCA Monitoring of NGC 3516: Evidence against Thermal Reprocessing

During 1998 April 1316, the bright, strongly variable Seyfert 1 galaxy NGC 3516 was monitored almost continuously with HST for 10.3 hr at ultraviolet wavelengths and 2.8 days at optical wavelengths, and simultaneous RXTE and ASCA monitoring covered the same period. The X-ray fluxes were strongly variable with the soft (0.5-2 keV) X-rays showing stronger variations (approx. 65% peak to peak) than the hard (2-10 keV) X-rays (approx. 50% peak to peak). The optical continuum showed much smaller but still highly significant variations: a slow approx. 2.5% rise followed by a faster approx. 3.5% decline. The short ultraviolet observation did not show significant variability. The soft and hard X-ray light curves were strongly correlated, with no evidence for a significant interband lag. Likewise, the optical continuum bands (3590 and 5510 A) were also strongly correlated, with no measurable lag, to 3(sigma) limits of approx. less than 0.15 day. However, the optical and X-ray light curves showed very different behavior, and no significant correlation or simple relationship could be found. These results appear difficult to reconcile with previous reports of correlations between X-ray and optical variations and of measurable lags within the optical band for some other Seyfert 1 galaxies. These results also present serious problems for "reprocessing" models in which the X-ray source heats a stratified accretion disk, which then reemits in the optical/ultraviolet : the synchronous variations within the optical would suggest that the emitting region is approx. less than 0.3 It-day across, while the lack of correlation between X-ray and optical variations would indicate, in the context of this model, that any reprocessing region must be approx. greater than 1 It-day in size. It may be possible to resolve this conflict by invoking anisotropic emission or special geometry, but the most natural explanation appears to be that the bulk of the optical luminosity is generated by some mechanism other than reprocessing.

Edelson, Rick↗
DOE OSTI2020

Exploiting Chemistry and Molecular Systems for Quantum Information Science

The power of chemistry to prepare new compositions of matter has driven the quest for new approaches to solve problems having global societal impact, such as renewable energy, healthcare, and information science. In the latter case, the intrinsic quantum nature of molecules offers intriguing new possibilities to advance the emerging field of Quantum Information Science (QIS). In this Perspective, we discuss how chemical systems and reactions can impact quantum computing, communication, and sensing. Hierarchical molecular design and synthesis, from small molecules to supramolecular assemblies, combined with new spectroscopic probes of quantum coherence and theoretical modeling of complex systems, offer a broad range of possibilities to realize practical QIS applications.

quantum computing, Spectrocopy, computational chem↗
DOE OSTI2023

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

Alexeev, Yuri↗
DOE OSTI2024

Focusing Optics for Axion Detection: Simulating Sensing Enhancements of Photons in InfraBREAD

The Broadband Reflector Experiment for Axion Detection (BREAD) will search for axions, a promising particle candidate for dark matter, in the high mass range of [$10^{-3}$,1]eV. BREAD acts like a telescope for dark matter, using a parabolic reflector to direct axion-induced photons onto a precise focal spot. InfraBREAD is the experimental version designed to detect photons resulting from axions with infrared frequency using a 1mm × 1mm Superconducting Nanowire Singe Photon Detector (SNSPD). However, at this frequency scale two problems arise: 1) the focal spot becomes smeared across an area larger than the size of the SNSPD detector; 2) any millimeter-scale misalignment shifts in the SNSPD can greatly diminish photon signal. This study performed simulations of novel optical configurations of lenses and reflectors placed around the SNSPD to achieve a greater efficiency than the SNSPD alone through both of these effects. One optical setup was identified called the “Parabolo id to Winston Cone (PTW) Configuration,” which exploits the optics of parabolic reflectors to focus incoming photons from the larger area of the smeared focal spot onto the smaller 1mm 2 area of the detector. The PTW configuration demonstrated overall improvements in efficiency by around 10% through misalignment shifts, with a maximal improvement of 55% in one region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. Here in this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Towards dynamical low-rank approximation for neutrino kinetic equations. Part I: Analysis of an idealized relaxation model

Dynamical low-rank approximation (DLRA) is an emerging tool for reducing computational costs and provides memory savings when solving high-dimensional problems. Here, in this work, we propose and analyze a semi-implicit dynamical low-rank discontinuous Galerkin (DLR-DG) method for the space homogeneous kinetic equation with a relaxation operator, modeling the emission and absorption of particles by a background medium. Both DLRA and the discontinuous Galerkin (DG) scheme can be formulated as Galerkin equations. To ensure their consistency, a weighted DLRA is introduced so that the resulting DLR-DG solution is a solution to the fully discrete DG scheme in a subspace of the standard DG solution space. Similar to the standard DG method, we show that the proposed DLR-DG method is well-posed. We also identify conditions such that the DLR-DG solution converges to the equilibrium. Numerical results are presented to demonstrate the theoretical findings.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2021

An Approach to Reasoning Service Migration in Data and Reasoning Fabric (DRF) Implementation

In this paper we consider service migration problem for Data and Reasoning Fabric (DRF) enabled airspace operations assuming a fixed cloud/edge infrastructure with allocated computing, storage and power resources, where cloud/edge servers, and communication stations are in a wired connected network, while vehicles use a wireless network for communication. The objective is to automatically select the best location for the requested service execution, which achieves minimum cost while satisfying the user quality of service (QoS) and available resources constraints. To this end, estimates of the response time, consumed energy and total cost are defined for each potential compute location. A mixed-integer linear program is then formulated and solved to identify optimal compute locations given QoS constraints, network infrastructure limitations, with worst-case vehicle positioning. The approach is applied to trajectory re-planning use case to avoid a collision with an emergency vehicle in real time.

Air mobility↗
DOE OSTI2021

Hybrid Quantum-Classical Eigensolver without Variation or Parametric Gates

The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here, we present a process for obtaining the eigenenergy spectrum of electronic quantum systems. This is achieved by projecting the Hamiltonian of a quantum system onto a limited effective Hilbert space specified by a set of computational bases. From this projection, an effective Hamiltonian is obtained. Furthermore, a process for preparing short depth quantum circuits to measure the corresponding diagonal and off-diagonal terms of the effective Hamiltonian is given, whereby quantum entanglement and ancilla qubits are used. The effective Hamiltonian is then diagonalized on a classical computer using numerical algorithms to obtain the eigenvalues. The use case of this approach is demonstrated for ground state and excited states of BeH2 and LiH molecules, and the density of states, which agrees well with exact solutions. Additionally, hardware demonstration is presented using IBM quantum devices for H2 molecule.

Jouzdani, Pejman (ORCID:0000000256470381)↗
DOE OSTI2021

Refined Telluric Absorption Correction for Low-resolution Ground-based Spectroscopy: Resolution and Radial Velocity Effects in the O{sub 2}A-band for Exoplanets and K i Emission Lines

Telluric correction of spectroscopic observations is either performed via standard stars that are observed close in time and airmass along with the science target, or recently growing in importance, by theoretical telluric absorption modeling. Both approaches work fine when the telluric lines are resolved, i.e., at a spectral resolving power larger than about 10,000, and it is sufficient to facilitate the detection of spectral features at lower resolution. However, a meaningful quantitative analysis also requires the reliable recovery of line strengths. Here, we show for the Fraunhofer A-band of molecular O{sub 2} that the standard telluric correction approach fails in this at lower spectral resolutions, as an example for the general problem. Doppler-shift-dependent errors of the restored flux may arise, which can amount to more than 50% in extreme cases, depending on the line shapes of the target spectral features. Two applications are discussed: the recovery of the O{sub 2} band in the reflected light of an Earth analog atmosphere, as facilitated potentially in the future using an orbiting starshade and a ground-based extremely large telescope; and the recovery of the intrinsic ratio of the K i lines in the post-nova V4332 Sgr tracing the optical depth of the emitting region, to exemplify the relevance using present-day instrumentation. We show how one should derive correction functions for the compensation of the error in dependence of radial velocity shift, spectral resolution, and target line-profile function by use of high-resolution atmospheric transmission modeling, which has to be solved for the individual case.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Provable bounds for noise-free expectation values computed from noisy samples

Quantum computing has emerged as a powerful computational paradigm capable of solving problems beyond the reach of classical computers. However, today’s quantum computers are noisy, posing challenges to obtaining accurate results. Here, we explore the impact of noise on quantum computing, focusing on the challenges in sampling bit strings from noisy quantum computers and the implications for optimization and machine learning. We formally quantify the sampling overhead to extract good samples from noisy quantum computers and relate it to the layer fidelity, a metric to determine the performance of noisy quantum processors. Further, we show how this allows us to use the conditional value at risk of noisy samples to determine provable bounds on noise-free expectation values. We discuss how to leverage these bounds for different algorithms and demonstrate our findings through experiments on real quantum computers involving up to 127 qubits. The results show strong alignment with theoretical predictions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Catalytic properties of model supported nanoparticles

Nanoparticles of late transition metals are used as catalysts and electrocatalysts for industrial chemical reactions that produce fuels, convert chemical energy to electricity and clean up pollution associated with the generation and use of these fuels. For such applications, metals are usually bonded onto the surfaces of oxide or carbon support materials. To provide the energy needed for sustained economic development, we must develop new and improved solid catalysts and electrocatalysts for a variety of reactions that take better advantage of traditional and alternate energy sources (solar, wind, biomass, etc.) and avoid serious environmental problems. Additionally, since these metals are often expensive and in limited supply (e.g., Pt), we also need to develop catalysts that do not require precious metals. As a consequence, recent years have seen a dramatic increase in research aimed at providing the basic understanding needed to develop new and improved catalysts and electrocatalysts for a variety of reactions that involve nanoparticles of late transition metals supported on oxide or carbon materials. It is therefore timely to present a special issue that focusses on Catalytic Properties of Model Supported Nanoparticles. The collection highlights some of the most exciting new directions for research in this area, and provides in depth examples of some of the most cutting-edge methods, both experimental and theoretical, for studying this class of catalysts, which provide insights into structure, mechanisms, kinetics and energetics with unprecedented accuracy and detail. Finally, as Guest Editors, we present below a few of the many excellent papers published in the collection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Dating submarine landslides using the transient response of gas hydrate stability

Abstract Submarine landslides are prevalent on the modern-day seafloor, yet an elusive problem is constraining the timing of past slope failure. We present a novel age-dating technique based on perturbations to underlying gas hydrate stability caused by slide-impacted seafloor changes. Using three-dimensional (3-D) seismic data, we mapped an irregular bottom simulating reflection (BSR) underneath a submarine landslide in the Orca Basin, Gulf of Mexico. The irregular BSR mimics the pre-slide seafloor geometry rather than the modern bathymetry. Therefore, we suggest that the gas hydrate stability zone (GHSZ) is still adjusting to the post-slide sediment temperature. We applied transient conductive heat-flow modeling to constrain the response of the GHSZ to the slope failure, which yielded a most likely age of ca. 8 ka, demonstrating that gas hydrate can respond to landslides even on multimillennial time scales. We further provide a generalized analytical solution that can be used to remotely date submarine slides in the absence of traditional dating techniques.

Geology↗
DOE OSTI2020

Support CEED-enabled ECP applications in their preparation for Aurora/Frontier

The goal of this milestone was to help CEED-enabled ECP applications (particularly ExaSMR, MARBL, ExaAM, ExaWind and E3SM) in their preparations for the Aurora and Frontier architectures. This work included collaboration with ECP vendors and porting and optimization of CEED’s benchmarks and miniapps to early access hardware. As part of this milestone, we also made the best bake-off problems and bake-off kernel implementation from Nek, MFEM, libParanumal and the external community available in the latest libCEED release, libCEED-0.7. During the milestone period we also organized, in virtual form, the fourth CEED Annual meeting (CEED4AM) which included representatives from ECP applications, vendors and software technology projects. The specific tasks addressed in this milestone were to: (1) Work with vendors to port and run CEED benchmarks on early access systems for Aurora and Frontier; (2) Make the best BP/BK implementations from Nek, MFEM, libParanumal and external community available in libCEED; (3) Organize the next CEED Annual meeting (CEED4AM); and (4) Optimize CEED applications and miniapps for Aurora and Frontier architectures. The artifacts delivered include the next libCEED release, libCEED-0.7, and a number of developments integrated within applications to improve their GPU performance and capabilities. See the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed for more details.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2001

Observational Definition of Future AGN Echo-Mapping Experiments

We describe numerical simulations we have begun in order to determine the observational requirements for future echo-apping experiments. We focus on two particular problems: (1) determination of the structure and kinematics of the broad-line region through emission- line reverberation mapping, and (2) detection of interband continuum lags that may be used as a probe of the continuum source, presumably a temperature-stratified accretion disk. Our preliminary results suggest the broad-line region can be reverberation-mapped to good precision with spectra of signal-to-noise ratio per pixel S/N approx. = 30, time resolution (Delta)t approx. = 0.1 day, and duration of about 60 days (which is a factor of three larger than the longest time scale in the input models); data that meet these requirements do not yet exist. We also find that interband continuum lags of approx. greater than 0.5 days can be detected at approx. greater than 95% confidence with at least daily observations for about 6 weeks, or rather more easily and definitively with shorter programs undertaken with satellite-based observatories. The results of these simulations show that significant steps forward in multiwavelength monitoring will almost certainly require dedicated facilities.

Collier, Stefan↗
DOE OSTI2025

Status of the Proton EDM Experiment (pEDM)

The Proton EDM Experiment (pEDM) is the first direct search for the proton electric dipole moment (EDM) with the aim of being the first experiment to probe the Standard Model (SM) prediction of any particle EDM. Phase-I of pEDM will achieve $10^{-29} e\cdot$cm, improving current indirect limits by four orders of magnitude. This will establish a new standard of precision in nucleon EDM searches and offer a unique sensitivity to better understand the Strong CP problem. The experiment is ideally positioned to explore physics beyond the Standard Model (BSM), with sensitivity to axionic dark matter via the signal of an oscillating proton EDM and across a wide mass range of BSM models from $\mathcal{O}(1\text{GeV})$ to $\mathcal{O}(10^3\text{TeV})$. Utilizing the frozen-spin technique in a highly symmetric storage ring that leverages existing infrastructure at Brookhaven National Laboratory (BNL), pEDM builds upon the technological foundation and experimental expertise of the highly successful Muon $g$$-$$2$ Experiments. With significant R&D and prototyping already underway, pEDM is preparing a conceptual design report (CDR) to offer a cost-effective, high-impact path to discovering new sources of CP violation and advancing our understanding of fundamental physics. It will play a vital role in complementing the physics goals of the next-generation collider while simultaneously contributing to sustaining particle physics research and training early-career researchers during gaps between major collider operations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Importance of kernel bandwidth in quantum machine learning

Quantum kernel methods are considered a promising avenue for applying quantum computers to machine learning problems. Identifying hyperparameters controlling the inductive bias of quantum machine learning models is expected to be crucial given the central role hyperparameters play in determining the performance of classical machine learning methods. In this work we introduce the hyperparameter controlling the bandwidth of a quantum kernel and show that it controls the expressivity of the resulting model. We use extensive numerical experiments with multiple quantum kernels and classical data sets to show consistent change in the model behavior from underfitting (bandwidth too large) to overfitting (bandwidth too small), with optimal generalization in between. We draw a connection between the bandwidth of classical and quantum kernels and show analogous behavior in both cases. Furthermore, we show that optimizing the bandwidth can help mitigate the exponential decay of kernel values with qubit count, which is the cause behind recent observations that the performance of quantum kernel methods decreases with qubit count. Here, we reproduce these negative results and show that if the kernel bandwidth is optimized, the performance instead improves with growing qubit count and becomes competitive with the best classical methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗