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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 523 records · Page 29

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Does Selectivity of Molecular Catalysts Change with Time? Polymerization Imaged by Single-Molecule Spectroscopy

The chemoselectivity of molecular catalysts underpins much of modern synthetic organic chemistry. However, little is known about the selectivity of individual catalysts because this single-catalyst-level behavior is hidden by the bulk catalytic behavior. In this work, for the first time, the selectivity of individual molecular catalysts for two different reactions is imaged in real time at the single-catalyst level. This imaging is achieved through fluorescence microscopy paired with spectral probes that produce a snapshot of the instantaneous chemoselectivity of a single catalyst for either a single-chain-elongation or a single-chain-termination event during ruthenium-catalyzed polymerization. Superresolution imaging of multiple selectivity events, each at a different single-molecular ruthenium catalyst, indicates that catalyst selectivity may be unexpectedly spatially and time-variable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Evaluating Quality of Service Traffic Classes on the Megafly Network

An emerging trend in High Performance Computing (HPC) systems that use hierarchical topologies (such as dragonfly) is that the applications are increasingly exhibiting high run-to-run performance variability. This poses a significant challenge for application developers, job schedulers, and system maintainers. One approach to address the performance variability is to use newly proposed network topologies such as megafly (or dragonfly+) that offer increased path diversity compared to a traditional fully connected dragonfly. Yet another approach is to use quality of service (QoS) traffic classes that ensure bandwidth guarantees. In this work, we select HPC application workloads that have exhibited performance variability on current 2-D dragonfly systems. We evaluate the baseline performance expectations of these workloads on megafly and 1-D dragonfly network models with comparably similar network configurations. Our results show that the megafly network, despite using fewer virtual channels (VCs) for deadlock avoidance than a dragonfly, performs as well as a fully connected 1-D dragonfly network. We then exploit the fact that megafly networks require fewer VCs to incorporate QoS traffic classes. We use bandwidth capping and traffic differentiation techniques to introduce multiple traffic classes in megafly networks. In some cases, our results show that QoS can completely mitigate application performance variability while causing minimal slowdown to the background network traffic.

Mubarak, Misbah↗

NASA NTRS1978

Variable Cycle Engine Technology Program Planning and Definition Study

The variable stream control engine, VSCE-502B, was selected as the base engine, with the inverted flow engine concept selected as a backup. Critical component technologies were identified, and technology programs were formulated. Several engine configurations were defined on a preliminary basis to serve as demonstration vehicles for the various technologies. The different configurations present compromises in cost, technical risk, and technology return. Plans for possible variably cycle engine technology programs were formulated by synthesizing the technology requirements with the different demonstrator configurations.

Westmoreland, J. S.↗

DOE OSTI2023

Evidence for Black Holes in Green Peas from WISE Colors and Variability

We explore the presence of active galactic nuclei (AGNs)/black holes in Green Pea galaxies (GPs), motivated by the presence of high-ionization emission lines such as He ii and [Ne iii] in their optical spectra. In order to identify AGN candidates, we used mid-infrared (MIR) photometric observations from the all-sky Wide-field Infrared Survey Explorer (WISE) mission for a sample of 1004 GPs. Considering only >5σ detections with no contamination from neighboring sources in AllWISE, we select 31 GPs out of 134 as candidate AGNs based on a stringent three-band WISE color diagnostic. Using multi-epoch photometry in W1 and W2 bands based on time-resolved unWISE coadd images, we find two sources exhibiting variability in both the WISE bands among 112 GPs with W1 ≤16 mag and no contamination from neighboring sources in unWISE. These two variable sources were selected as AGNs by the WISE three-band color diagnostic as well. Compared to variable AGN fractions observed among low-mass galaxy samples in previous studies, we find a higher fraction (~1.8%) of MIR variable sources among GPs, which demonstrates the uniqueness and importance of studying these extreme objects. Through this work, we demonstrate that MIR diagnostics are promising tools to select AGNs that may be missed by other selection techniques (including optical emission-line ratios and X-ray emission) in star formation-dominated, low-mass, low-metallicity galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1992

Statistical characterization of life drivers for a probabilistic design analysis

This paper discusses the issue of statistical characterization of life drivers for a probabilistic design analysis (PDA) approach to support the conventional deterministic structural design methods that are currently used. The probabilistic approach takes into consideration the modeling inadequacies and uncertainties in many design variables such as loads, environments, and material properties. The importance of the distributional assumption is motivated by illustrating an example where the results differ substantially due to the distribution selected. Different types of distributions are discussed and techniques for estimating the parameters are given. Given this information, procedures are outlined for selecting the appropriate distribution based on the particular type of variable (i.e., dimensional, performance) as well as the information that is available (i.e., test data, engineering analysis). Finally, techniques are given for generating random numbers from these selected distributions within the PDA process.

Fox, Eric P.↗

DOE OSTI2019

Uncertainty Quantification of Microstructural Material Variability Effects

This project has developed models of variability of performance to enable robust design and certification. Material variability originating from microstructure has significant effects on component behavior and creates uncertainty in material response. The outcomes of this project are uncertainty quantification (UQ) enabled analysis of material variability effects on performance and methods to evaluate the consequences of microstructural variability on material response in general. Material variability originating from heterogeneous microstructural features, such as grain and pore morphologies, has significant effects on component behavior and creates uncertainty around performance. Current engineering material models typically do not incorporate microstructural variability explicitly, rather functional forms are chosen based on intuition and parameters are selected to reflect mean behavior. Conversely, mesoscale models that capture the microstructural physics, and inherent variability, are impractical to utilize at the engineering scale. Therefore, current efforts ignore physical characteristics of systems that may be the predominant factors for quantifying system reliability. To address this gap we have developed explicit connections between models of microstructural variability and component/system performance. Our focus on variability of mechanical response due to grain and pore distributions enabled us to fully probe these influences on performance and develop a methodology to propagate input variability to output performance. This project is at the forefront of data-science and material modeling. We adapted and innovated from progressive techniques in machine learning and uncertainty quantification to develop a new, physically-based methodology to address the core issues of the Engineering Materials Reliability (EMR) research challenge in modeling constitutive response of materials with significant inherent variability and length-scales.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations

Abstract The HIV-1 envelope (Env) is the target for neutralizing antibodies and exists on the surface of virions in open or closed conformations. Difficult-to-neutralize viruses (tier 2) express Env in a closed conformation antigenic for broadly neutralizing antibodies (bnAbs) but not for third variable region (V3) antibodies. Here we show that select V3 macaque antibodies elicited by Env vaccination can neutralize 26% of otherwise tier 2 HIV-1 isolates in standardized virus panels. The V3 antibodies only bound to Env in its open conformation. Thus, Envs on tier 2 viruses sample a state where the V3 loop is not in its closed conformation position. Envelope second variable region length, glycosylation sites and V3 amino acids were signatures of neutralization sensitivity. This study determined that open conformations of Env with V3 exposed are present on a subset of otherwise neutralization-resistant virions, therefore neutralization of tier 2 HIV-1 does not always indicate bnAb induction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Does Selectivity of Molecular Catalysts Change with Time? Polymerization Imaged by Single‐Molecule Spectroscopy

Abstract The chemoselectivity of molecular catalysts underpins much of modern synthetic organic chemistry. However, little is known about the selectivity of individual catalysts because this single‐catalyst‐level behavior is hidden by the bulk catalytic behavior. Here, for the first time, the selectivity of individual molecular catalysts for two different reactions is imaged in real time at the single‐catalyst level. This imaging is achieved through fluorescence microscopy paired with spectral probes that produce a snapshot of the instantaneous chemoselectivity of a single catalyst for either a single‐chain‐elongation or a single‐chain‐termination event during ruthenium‐catalyzed polymerization. Superresolution imaging of multiple selectivity events, each at a different single‐molecular ruthenium catalyst, indicates that catalyst selectivity may be unexpectedly spatially and time‐variable.

Garcia, IV, Antonio↗

DOE OSTI2024

Verification of Adaptive Protection in Hardware in the Loop for Coordination with Solar Variability

As inverter-based resources continue to be installed at all levels of the electric grid, the fixed protection schemes used at the distribution level will continue to be stressed until they no longer ensure the protection of the grid. Adaptive protection has been proposed as a solution with the ability to update the protection schemes in near real-time to ensure reliability and increase the resilience of the grid. However, weather variability poses a significant challenge to the ability of these methods to keep the selectivity and reliability of these schemes coordinated. If the ramp rates, due to solar variability, of the inverter-based resources change faster than the adaptive protection can issue new settings, the protection system could be uncoordinated, with the wrong device responding to a system fault. The proposed adaptive protection method ensures that due to solar variability, communication, and protection calculation latency, it can issu e coordinated protection settings promptly, in one minute or less. The hardware-in-the-loop results show the protection settings being issued and maintaining system coordination in under a minute.

Summers, Adam↗

DOE OSTI2020

Nonlinear drought plasticity reveals intraspecific diversity in a dominant grass species

Abstract Intraspecific diversity of dominant species in native plant communities can modulate ecosystem function under both optimal and stressful conditions. Yet, few genotype by environment interaction studies quantify differences in the shape of plasticity functions or phenotypic breakpoints across genotypes in natural populations. Using three genotypes with a history of drought selection, we performed a greenhouse study on the dominant tallgrass prairie species Andropogon gerardii . We investigated phenotypic plasticity and recovery differences among genotypes across a water availability gradient, measuring growth‐related, instantaneous and cumulative phenotypes. To further understand genotype by environment effects, we quantified plasticity functions and breakpoints among genotypes. Like other studies, we found strong evidence for phenotypic and plasticity differences among genotypes. However, we also found nonlinear plasticity functions and breakpoints were common across phenotypes, especially relative growth rates, biomass allocation and root architecture. Drought selected genotypes were also more likely to flower during recovery, but all genotypes were resilient to drought across treatments. We demonstrate that plasticity functions may help explain intraspecific diversity, patterns of selection and nonlinear community responses to more variable rainfall within an experimental population. In particular, plasticity functions can help disentangle drought/variability tolerance versus acquisitive strategies. A better understanding of intraspecific diversity in this grass species will provide more mechanistic insight into its ability to buffer ecosystem changes and provide resiliency in the tallgrass prairie under future droughts. A free Plain Language Summary can be found within the Supporting Information of this article.

Hoffman, Ava M.↗

DOE OSTI2021

Broad betacoronavirus neutralization by a stem helix–specific human antibody

Targeting a range of betacoranaviruses In the past 20 years, three highly pathogenic β-coronaviruses have crossed from animals to humans, including the most recent: severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A spike protein that decorates these viruses has an S1 domain that binds host cell receptors and an S2 domain that fuses the viral and cell membranes to allow cell entry. The S1 domain is the target of many neutralizing antibodies but is more genetically variable than S2, and antibodies can exert selective pressure, leading to resistant variants. Pinto et al . identified five monoclonal antibodies that interact with a helix in the S2 domain. The most broadly neutralizing antibody inhibited all β-coronavirus subgenera and reduced viral burden in hamsters infected with SARS-CoV-2. —VV

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Comparing Designed Training Sets to Optimize Multivariate Regression Models for Pr, Nd, and Nitric Acid Using Spectrophotometry

Chemometric regression models were developed for the quantification of praseodymium (Pr, 0–1000 µg/mL), neodymium (Nd, 0–1000 µg/mL), and nitric acid (HNO 3 , 0.1–5 M) using spectrophotometry. Designed calibration sets were composed of 20 samples each: 10 model points and 10 lack-of-fit (LOF) points. The D-optimal designs effectively minimized the number of samples required to build models, and each design resulted in similar prediction performance, suggesting that statistical design of experiments can provide a reliable framework for selecting training set samples in three-variable systems. Partial least squares regression (PLSR) models were validated against a one-factor-at-a-time validation set composed of 125 samples (three variables, five levels). The top PLS-1 models resulted in average percent root mean square error of prediction error values of 3.5%, 1.7%, and 1.2% for Pr(III), Nd(III), and HNO 3 , respectively. Power set augmentations of the model and LOF samples were investigated to optimize the number of training set samples. PLSR models built using just required model points (10) had similar predictive capabilities as models including the LOF points (20) but with fewer samples. The number of validation samples was also varied systematically to learn how many samples are needed to validate regression models. This work addresses long-standing questions in the field of chemometrics to help make this approach amenable to the near-real-time quantification of hazardous species in remote settings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Centralized and Decentralized Optimal Control of Variable Speed Heat Pumps

Utility service providers are often challenged with the synchronization of thermostatically controlled loads. Load synchronization, as a result of naturally occurring and demand-response events, has the potential to damage power distribution equipment. Because thermostatically controlled loads constitute most of the power consumed by the grid at any given time, the proper control of such devices can lead to significant energy savings and improved grid stability. The contribution of this paper is the development of an optimal control algorithm for commonly used variable speed heat pumps. By means of selective peer-to-peer communication, our control architecture allows for the regulation of home temperatures while simultaneously minimizing aggregate power consumption, and aggregate load volatility. An optimal centralized controller is also explored and compared against its decentralized counterpart.

30 DIRECT ENERGY CONVERSION↗

NASA NTRS1972

Maneuver and buffet characteristics of fighter aircraft

The high subsonic and transonic characteristics of fighter aircraft and the factors affecting aerodynamic boundaries, such as maximum obtainable lift, buffet onset, pitchup, wing rock, and nose slice are discussed. Investigations were made using a general research configuration which encompassed a systematic matrix of wing design parameters. These results emphasized the sensitivity to section and planform geometry at the selected design point. The incorporation of variable-wing-geometry devices in the form of leading-edge slats or flaps was shown in a number of flight and wind-tunnel studies to provide controlled flow over a wide range of flight conditions and substantial improvements in maneuver capabilities. Additional studies indicated that the blending of a highly swept maneuver strake with an efficient moderately swept wing offers a promising approach for improving maneuver characteristics at high angles of attack without excessive penalties in structural weight.

Ray, E. J.↗

NASA NTRS1973

Water quality parameter measurement using spectral signatures

Regression analysis is applied to the problem of measuring water quality parameters from remote sensing spectral signature data. The equations necessary to perform regression analysis are presented and methods of testing the strength and reliability of a regression are described. An efficient algorithm for selecting an optimal subset of the independent variables available for a regression is also presented.

White, P. E.↗

NASA NTRS1973

Maneuver and buffet characteristics of fighter aircraft

Recent research efforts in the improvement of the maneuverability of fighter aircraft in the high-subsonic and transonic speed range are reviewed with emphasis on the factors affecting aerodynamic boundaries, such as maximum obtainable lift, buffet onset, pitchup, wing rock, and nose slice. The investigations were made using a general research configuration which encompassed a systematic matrix of wing-design parameters. These results illustrated the sensitivity of section and planform geometry to a selected design point. The incorporation of variable-geometry wing devices in the form of flaps or leading-edge slats was shown to provide controlled flow over a wide range of flight conditions and substantial improvements in maneuver capabilities. Additional studies indicated that the blending of a highly swept maneuver strake with an efficient, moderately swept wing offers a promising approach for improving maneuver characteristics at high angles of attack without excessive penalties in structural weight.

Ray, E. J.↗

NASA NTRS1975

Multiparameter vision testing apparatus

Compact vision testing apparatus is described for testing a large number of physiological characteristics of the eyes and visual system of a human subject. The head of the subject is inserted into a viewing port at one end of a light-tight housing containing various optical assemblies. Visual acuity and other refractive characteristics and ocular muscle balance characteristics of the eyes of the subject are tested by means of a retractable phoroptor assembly carried near the viewing port and a film cassette unit carried in the rearward portion of the housing (the latter selectively providing a variety of different visual targets which are viewed through the optical system of the phoroptor assembly). The visual dark adaptation characteristics and absolute brightness threshold of the subject are tested by means of a projector assembly which selectively projects one or both of a variable intensity fixation target and a variable intensity adaptation test field onto a viewing screen located near the top of the housing.

Hunt, S. R., Jr.↗

NASA NTRS1976

Study of unconventional aircraft engines designed for low energy consumption

A study of unconventional engine cycle concepts, which may offer significantly lower energy consumption than conventional subsonic transport turbofans, is described herein. A number of unconventional engine concepts were identified and parametrically studied to determine their relative fuel-saving potential. Based on results from these studies, regenerative, geared, and variable-boost turbofans, and combinations thereof, were selected along with advanced turboprop cycles for further evaluation and refinement. Preliminary aerodynamic and mechanical designs of these unconventional engine configurations were conducted and mission performance was compared to a conventional, direct-drive turofan reference engine. Consideration is given to the unconventional concepts, and their state of readiness for application. Areas of needed technology advancement are identified.

Neitzel, R. E.↗