Single-active electron calculations of high-order harmonic generation from valence shells in atoms for quantitative comparison with TDDFT calculations
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74 ATOMIC AND MOLECULAR PHYSICS↗
SEARCH · Engineering Papers
Results for “activity generation”
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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Next-Generation Sensing Technologies for Exploring Ocean Worlds
Dr. Ved Chirayath's plenary presentation will highlight two instrument technologies he invented at NASA including Fluid Lensing, the first remote sensing technology capable of imaging through ocean waves in 3D at sub-cm resolutions, and MiDAR (Multispectral Imaging, Detection and Active Reflectance), a next-generation active hyperspectral remote sensing and optical communications instrument. Fluid Lensing has been used to provide the first 3D multispectral imagery of shallow marine systems from unmanned aerial vehicles (UAVs, or drones), including coral reefs in American Samoa and stromatolite reefs in Hamelin Pool, Western Australia. MiDAR is being deployed on aircraft, and underwater remotely operated vehicles (ROVs) as a new method to remotely sense living and nonliving structures in extreme environments. MiDAR images targets with high-intensity narrowband structured optical radiation to measure an object's non-linear spectral reflectance, image through fluid interfaces such as ocean waves with active fluid lensing, and simultaneously transmit high-bandwidth data. As an active instrument, MiDAR is capable of remotely sensing reflectance at the centimeter (cm) spatial scale with a signal-to-noise ratio (SNR) multiple orders of magnitude higher than passive airborne and spaceborne remote sensing systems with significantly reduced integration time. This allows for rapid video-frame-rate hyperspectral sensing into the far ultraviolet and VNIR wavelengths. Finally, Chirayath will present preliminary results from NASA NeMO-Net (Neural Multi-Modal Observation and Training Network), the first neural network for global coral reef classification using fluid lensing and MiDAR.
Technologies↗
Correlating and Simulating Socio-Demographically Driven Residential End-Use Activity Schedules
Incorporating socio-demographic and behavioral considerations into decision-support tools is crucial for identifying gaps and addressing consumer needs to ensure reliable and affordable energy solutions. In energy simulation models, the correlation between socio-demographics and time-use behavior is not well-captured. Thus, we developed a large-scale simulation workflow to generate schedules for 10 residential activities across 24 population segments defined by age, income, and employment status. Using pre-pandemic 2015-2019 American Time Use Survey (ATUS) data, we used ANOVA to confirm the correlation between demographic factors and time use. We explored three k-modes clustering methods-backward, forward, and a new hybrid approach-to delineate the occupancy patterns based on demographics. Using the probability of cluster membership for each population segment and a time inhomogeneous Markov chain to generate activity transition probabilities for each cluster, we simulated 50,000 schedules per segment and validated them against the ATUS data. The hybrid method produced the most socio-demographically differentiated clusters while demonstrating comparable performance to other approaches, with an overall root mean square error of 0.12 for both weekday and weekend schedules. Thus, the hybrid method, where each cluster is dominated by certain demographic segments and occupancy patterns, offers more modeling versatility in terms of scenario analysis. The new workflow improves the socio demographic differentiation of energy consumption by considering differences in time use. This approach enables future research on demographically segmented time of use (TOU) energy consumption, including impacts of TOU utility bills and rate analysis, long-run marginal emissions, and energy retrofits.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Simultaneous Active Source Control of Blade Row Interaction Generated Discrete Tones
Unsteady blade row interactions in turbomachines generate discrete-frequency tones at blade pass frequency and its harmonics. Specific circumferential acoustic modes are generated. However, only certain of these modes propagate upstream and downstream to the far field, with these the discrete frequency noise received by an observer. This paper is directed at experimentally demonstrating the viability of active noise control utilizing active airfoils to generate propagating spatial modes that interact with and simultaneously cancel the upstream and downstream propagating acoustic modes. This is accomplished by means of fundamental experiments performed in the Purdue Annular Cascade Research Facility configured with 16 rotor blades and 18 stator vanes. At blade pass frequency, only the k(sub 0) = -2 spatial mode propagates. Significant simultaneous noise reductions are achieved for these upstream and downstream propagating spatial modes over a wide range of operating conditions.
Sawyer, Scott↗
Nuclear winds in active elliptical galaxies. I - Interaction
The interaction of a supersonic wind generated by an active nucleus, a nuclear wind, with the hot interstellar medium of an elliptical host galaxy is investigated. We survey the basic time and spatial scales of this interaction through a study covering the range of probable wind and galaxy parameters. The evolving wind/ISM interaction is detailed, with the conclusion that a true equilibrium state is never possible due to long cooling times. Alteration of the wind by mass loading is considered, and a relationship between nuclear winds and central stellar clusters in this context is outlined. The nuclear wind will fundamentally alter the interstellar medium of the host galaxy. Powerful radio galaxies and quasars can evacuate the entire ISM of their host galaxy. In an isolated elliptical galaxy, winds from moderately powerful radio galaxies will either be confined to within about a kpc or evacuate the entire hot ISM. Even in the relatively high pressure ISM of elliptical galaxies winds containing only 1 percent-10 percent of the radiant luminosity of the active nucleus will extend to the narrow-line region. Therefore, nuclear winds are likely to control the properties of the narrow-line emission.
Smith, Steven J.↗
Shuttle active thermal control system development testing. Volume 6: Water ejector plume tests
Results are given of vacuum testing of nozzles designed to eject water vapor away from the space shuttle to prevent contamination of the spacecraft surfaces and payload. The water vapor is generated by an active cooling system which evaporates excess fuel cell water to supplement a modular radiator system (MRS). The complete heat rejection system including the MRS, flash evaporator or sublimator and nozzle were first tested to demonstrate the system operational characteristics. The plume tests were performed in two phases and the objectives of this test series were: (1) to determine the effectiveness of a supersonic nozzle and a plugged nozzle in minimizing impingement upon the spacecraft of water vapor exhausted by an active device (flash evaporator or sublimator); and (2) to obtain basic data on the flow fields of exhaust plumes generated by these active devices, both with and without nozzles installed.
Mcginnis, F. K.↗
Mechanism of O 2 Activation and Cysteine Oxidation by the Unusual Mononuclear Cu(I) Active Site of the Formylglycine-Generating Enzyme
The formylglycine-generating enzyme (FGE) catalyzes the selective oxidation of a peptidyl-cysteine to form formylglycine, a critical cotranslational modification for type I sulfatase activation and a useful bioconjugation handle. Previous studies have shown that the substrate peptidyl-cysteine binds to the linear bis-thiolate Cu(I) site of FGE to form a trigonal planar tris-thiolate Cu(I) structure that activates O 2 for the oxidation of the C β –H of the cysteine substrate via an unknown mechanism. Here, we employed a combination of stopped-flow kinetic, spectroscopic (UV–vis absorption, XAS, and EPR), and computational (DFT/TD-DFT calculations) methods to observe and characterize the key intermediates in this reaction for FGE from Streptomyces coelicolor. Our results define the reaction coordinate of FGE, which involves H-atom abstraction from the C β –H bond of the cysteine substrate by a reactive Cu(II)–O 2 •– species to form the now experimentally observed Cu(I)–OOH intermediate bound to a peptidyl-thioaldehyde, which proceeds to oxidize one of the protein-derived cysteine residues to a sulfenate that is end-on O-coordinated to Cu(I). These results provide fundamental insights into how the unusual mononuclear Cu(I) site of FGE activates O 2 for cysteine oxidation and stores oxidizing equivalents during catalysis by employing a Cu(I)–sulfenate intermediate with an end-on O-coordination that is unprecedented in biology.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Precipitation-based 99m Tc Generator Concept for Low-Specific Activity 99 Mo
The chemistry and the foundation for a novel 99 Mo/ 99m Tc purification technology for low-specific activity (LSA) 99 Mo is described here in detail. This concept could potentially be engineered to yeild a new 99 Mo/ 99m Tc generator for LSA- 99 Mo.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Optimal Control for Fast Frequency Response and Black-Start using Embedded Storages with Grid-Forming Control
The grid-forming inverter is regarded as the solution for integrating high levels of renewable resources into future power systems. Ensuring the stable operation of grids necessitates that grid-forming inverters offer fast frequency response. This report introduces an optimal control method that coordinates the embedded storage within the grid-forming control model with conventional synchronous generators. The optimized active power reference for the embedded storage is generated using receding horizon optimization control, aiming to keep the center of inertia frequency within acceptable limits. The effectiveness of the proposed control is verified through testing in the IEEE 39-bus system. In addition, with grid-forming capability, we will also investigate the application of using mobile embedded storages as black-start units to provide cranking power to energize non-blackstart generators in a black-start process.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Multi-Agent System for Managing Human Activities in Space Operations
In manned space operations today, the astronauts' activity schedules are preplanned and adjusted daily on Earth. We have developed the Distributed Collaboration and Interaction (DCI) multi-agent system to investigate automating aspects of human activity management. The DCI System assists (1) plan generation, (2) human activity tracking, (3) plan revision, and (4) mixed initiative interaction with the plan. We have deployed and evaluated the DCI system at JSC to assist control engineers in managing anomaly handling activities for automated life support systems. DCI operated round the clock for 20 months in the Water Research Facility at JSC. Using this software, we reduced anomaly response time by engineers from up to 10 hours in previous tests to under an hour. Based on this evaluation, we conclude that agent assistance for schedule management has potential to improve astronaut activity awareness and reduce response time in situations where crew are interrupted to handle anomalies.
Schrenkenghost, Debra↗
More Data Needed for Failure Rate Estimation, Validation, and Uncertainty Reduction
The currently planned schedule for advanced Environmental Control and Life Support System (ECLSS) development and test activities to support human exploration missions is unlikely to generate sufficient data to enable statistically-supportable, precise Orbital Replacement Unit (ORU) failure rate estimates to meet existing crew safety expectations. Accurate and precise failure rate estimates are critical for missions beyond Low Earth Orbit (LEO) because current risk mitigation approaches –namely regular resupply and rapid abort capabilities –will not be available. Safe operations will depend on mission planners’ ability to accurately forecast spares demand and efficiently provide the necessary resources. However, even after more than a decade of International Space Station (ISS) ECLSS operations, a significant amount of uncertainty remains in failure rate estimates. Uncertain or inaccurate failure rates result in increased risk and spares mass. A Bayesian estimation approach, such as the one currently implemented by the ISS Program, can reduce uncertainty by incorporating engineering judgement into failure rate estimates. However, experience on the ISS and with other complex systems shows that these prior failure rate estimates are often inaccurate. In addition, prior estimates are typically point values; some level of uncertainty must be added to convert these into probability distributions for Bayesian updating, and there are several potential methods for doing so. Due to the low rate of data collection, any inaccuracy in theseprior estimates currently hasa strong influence on the end result. This paper examines the challenges associated with failure rate estimation, validation, and uncertainty reduction in the context of ECLSS development for beyond-LEO missions. A variety of techniques for generating and updating Bayesian priors are discussed and evaluated using both real-world and simulated data. Potential solutions for improving failure rate estimation, including testing additional units, are analyzed and discussed, and a set of recommendations are provided for next-generation system development activities.
Reliability↗
More Data Needed for Failure Rate Estimation, Validation, and Uncertainty Reduction
The currently planned schedule for advanced Environmental Control and Life Support System (ECLSS) development and test activities to support human exploration missions is unlikely to generate sufficient data to enable statistically-supportable, precise Orbital Replacement Unit (ORU) failure rate estimates to meet existing crew safety expectations. Accurate and precise failure rate estimates are critical for missions beyond Low Earth Orbit (LEO) because current risk mitigation approaches –namely regular resupply and rapid abort capabilities –will not be available. Safe operations will depend on mission planners’ ability to accurately forecast spares demand and efficiently provide the necessary resources. However, even after more than a decade of International Space Station (ISS) ECLSS operations, a significant amount of uncertainty remains in failure rate estimates. Uncertain or inaccurate failure rates result in increased risk and spares mass. A Bayesian estimation approach, such as the one currently implemented by the ISS Program, can reduce uncertainty by incorporating engineering judgement into failure rate estimates. However, experience on the ISS and with other complex systems shows that these prior failure rate estimates are often inaccurate. In addition, prior estimates are typically point values; some level of uncertainty must be added to convert these into probability distributions for Bayesian updating, and there are several potential methods for doing so. Due to the low rate of data collection, any inaccuracy in theseprior estimates currently hasa strong influence on the end result. This paper examines the challenges associated with failure rate estimation, validation, and uncertainty reduction in the context of ECLSS development for beyond-LEO missions. A variety of techniques for generating and updating Bayesian priors are discussed and evaluated using both real-world and simulated data. Potential solutions for improving failure rate estimation, including testing additional units, are analyzed and discussed, and a set of recommendations are provided for next-generation system development activities.
Reliability↗
From Femtoseconds to Gigaseconds: The SolDeg Platform for the Performance Degradation Analysis of Silicon Heterojunction Solar Cells
Heterojunction Si solar cells exhibit notable performance degradation. Here, we modeled this degradation by electronic defects getting generated by thermal activation across energy barriers over time. To analyze the physics of this degradation, we developed the SolDeg platform to simulate the dynamics of electronic defect generation. First, femtosecond molecular dynamics simulations were performed to create a-Si/c-Si stacks, using the machine learning-based Gaussian approximation potential. Second, we created shocked clusters by a cluster blaster method. Third, the shocked clusters were analyzed to identify which of them supported electronic defects. Fourth, the distribution of energy barriers that control the generation of these electronic defects was determined. Fifth, an accelerated Monte Carlo method was developed to simulate the thermally activated time-dependent defect generation across the barriers. Our main conclusions are as follows. (1) The degradation of a-Si/c-Si heterojunction solar cells via defect generation is controlled by a broad distribution of energy barriers. (2) We developed the SolDeg platform to track the microscopic dynamics of defect generation across this wide barrier distribution and determined the time-dependent defect density N(t) from femtoseconds to gigaseconds, over 24 orders of magnitude in time. (3) We have shown that a stretched exponential analytical form can successfully describe the defect generation N(t) over at least 10 orders of magnitude in time. (4) We found that in relative terms, Voc degrades at a rate of 0.2%/year over the first year, slowing with advancing time. (5) We developed the time correspondence curve to calibrate and validate the accelerated testing of solar cells. We found a compellingly simple scaling relationship between accelerated and normal times t normal ∝ t accel T(accel)/T(normal) . (6) We also carried out experimental studies of defect generation in a-Si:H/c-Si stacks. We found a relatively high degradation rate at early times that slowed considerably at longer time scales.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A dynamical model for the central engine of QSOs and active galactic nuclei
A model for the energy generation in quasars and active galaxies is proposed based on (quasi)spherical accretion and a shock as a means for randomizing the inflowing kinetic energy. According to the model, most of the accretion energy is converted into relativistic protons at the shock, which in turn can provide the necessary pressure to self-consistently support it if their energy loss time scale by nuclear collisions is longer than the free fall time scale. The shock can thus be characterized as a 'relativistic proton radiative shock' in analogy with similar accretion shocks on white dwarfs.
Kazanas, Demosthenes↗
The electromagnetic ram action of the plasma focus as a paradigm for the generation of cosmic rays and the gigantic jets in active galaxies
Recent measurements of the energy spectrum of the plasma-focus-generated deuteron beam yield as spectrum of the form N(E)=(approx.) E to the -2.7 for 1MeV E 13 MeV. Other measurements show that the beta 1 electron beam which is generated simultaneously with the deuteron beam is interrupted into segments of spacing 25ps and duration approximately 4ps. A stuttering-electro-magnetic-ram (ser) model of the plasma focus in proposed which is similar to Raudorf's electronic ram which produces a similar spectrum for an electron beam for 1Mev E 10MeV. It is proposed that the cosmic ray spectrum and the giganic galactic jets are both generated by ser action near the centers of active galaxies.
Bostick, W. H.↗
Data-driven prediction of α IIb β 3 integrin activation paths using manifold learning and deep generative modeling
The integrin heterodimer is a transmembrane protein critical for driving cellular process and is a therapeutic target in the treatment of multiple diseases linked to its malfunction. Activation of integrin involves conformational transitions between bent and extended states. Some of the conformations that are intermediate between bent and extended states of the heterodimer have been experimentally characterized, but the full activation pathways remain unresolved both experimentally due to their transient nature and computationally due to the challenges in simulating rare barrier crossing events in these large molecular systems. An understanding of the activation pathways can provide new fundamental understanding of the biophysical processes associated with the dynamic interconversions between bent and extended states and unveil new putative therapeutic targets. In this work, we apply nonlinear manifold learning to coarse-grained molecular dynamics simulations of bent, extended, and two intermediate states of αI I b β3 integrin to learn a low-dimensional embedding of the configurational phase space. We then train deep generative models to learn an inverse mapping between the low-dimensional embedding and high-dimensional molecular space and use these models to interpolate the molecular configurations constituting the activation pathways between the experimentally characterized states. Furthermore, this work furnishes plausible predictions of integrin activation pathways and reports a generic and transferable multi-scale technique to predict transition pathways for biomolecular systems.
97 MATHEMATICS AND COMPUTING↗
An approach for generation of second order RC-active filters.
It is shown that node (or loop) matrix equations can be written which yield second order low-pass, band-pass, and high-pass network functions. Networks corresponding to the equations can in turn be formulated by inspection of the equations. The networks employ ideal VCT or CVT sources which can be physically realized using transistors and/or operational amplifiers. The technique yields several structures which are believed to be new.
Dunn, W. R., Jr.↗