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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 91 records · Page 5

Vibronic mixing enables ultrafast energy flow in light-harvesting complex II

Since the discovery of quantum beats in the two-dimensional electronic spectra of photosynthetic pigment-protein complexes over a decade ago, the origin and mechanistic function of these beats in photosynthetic light-harvesting has been extensively debated. The current consensus is that these long-lived oscillatory features likely result from electronic-vibrational mixing, however, it remains uncertain if such mixing significantly influences energy transport. Here, we examine the interplay between the electronic and nuclear degrees of freedom (DoF) during the excitation energy transfer (EET) dynamics of light-harvesting complex II (LHCII) with two-dimensional electronic-vibrational spectroscopy. Particularly, we show the involvement of the nuclear DoF during EET through the participation of higher-lying vibronic chlorophyll states and assign observed oscillatory features to specific EET pathways, demonstrating a significant step in mapping evolution from energy to physical space. These frequencies correspond to known vibrational modes of chlorophyll, suggesting that electronic-vibrational mixing facilitates rapid EET over moderately size energy gaps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Standards for Radiation Effects Testing: Ensuring Scientific Rigor in the Face of Budget Realities and Modern Device Challenges

An overview is presented of the space radiation environment and its effects on electrical, electronic, and electromechanical parts. Relevant test standards and guidelines are listed. Test standards and guidelines are necessary to ensure best practices, minimize and bound systematic and random errors, and to ensure comparable results from different testers and vendors. Test standards are by their nature static but exist in a dynamic environment of advancing technology and radiation effects research. New technologies, failure mechanisms, and advancement in our understanding of known failure mechanisms drive the revision or development of test standards. Changes to standards must be weighed against their impact on cost and existing part qualifications. There must be consensus on new best practices. The complexity of some new technologies exceeds the scope of existing test standards and may require development of a guideline specific to the technology. Examples are given to illuminate the value and limitations of key radiation test standards as well as the challenges in keeping these standards up to date.

Test Standard↗

Blockchain-Enabled Cyber-Secure Microgrid Control Using Consensus Algorithm: Preprint

This paper proposes a distributed control method based on a consensus algorithm for distributed energy resources (DERs) using blockchain as a secure communication medium for cyber resilience. Each DER communicates with a local blockchain server that is maintained by the distributed ledger technology to allow for securely sharing local measurements among neighboring assets to achieve the global control objectives, i.e., voltage and frequency regulation as well as accurate power sharing among the DERs, including collective grid-forming capability. To prove that the distributed control can retain system stability under a blockchain-induced variable communication delay, Lyapunov function-based stability analysis is carried out. This paper demonstrates the concept on an 11-bus test case developed in MATLAB Simulink, which has been modified from the IEEE 9-bus test case, to study dynamic operations of the five inverter-based DERs working with a blockchain-induced variable delay. The results validate the superior performance of the proposed control method, compared to heavily compromised operations of the other test cases without the security measure, affected by heavy communication delays and communication interruptions.

blockchain↗

GANpiler

Focal Area(s): Rather than augment or replace physical models with machine learning, we instead preserve the existing models and augment the underlying code with faster surrogate models created by generative adversarial networks (GAN). To leverage the performance optimization, we also propose a runtime system and user interfaces that allow prediction and tracking of accumulated error as well as dynamic, per-process decision making as to which model (if any) to use for each iteration. Science Challenge: This proposal sits at the nexus of two hard problems. First, climate models based on machine learning will be, by their nature, difficult to trust once their predictions begin diverging from the consensus. Second, compilers and hardware have been making only incremental performance gains for decades. GPGPUs have provided a welcome performance boost for codes that can take advantage of them, but there is no similar technology on the horizon to provide the next performance leap.

54 ENVIRONMENTAL SCIENCES↗

Superaromatics: The key to a unified cosmic dust theory

The theory of Superaromatics, the key to a unified cosmic dust theory, was constructed by analyzing several thousand astronomical features covering every major aspect of astrophysics and astrochemistry relating to dust. To insure consistency between disciplines, the logical structure of the conclusions in each field was checked rather than accepting the current consensus. No substantial contradictory features are known to the author. The analysis falls into seven major parts: (1) kinetics of grain formation and destruction; (2) optical spectra of the interstellar medium (ISM); (3) meteorite interplanetary dust particle (IPD) chemistry; (4) structure and chemistry of the interstellar medium arising from surface catalysis; (6) dynamics of circumstellar and interstellar dust clouds, including galactic morphology; and (7) the chemistry and physics of previously unidentified compounds. Only tentative conclusions are presented here. The principle conclusion is that quantum mechanics as it is normally formulated is incomplete. The probable cause is that it is formulated with complex numbers rather than the more fundamental quaternion system. The manifestation in astrochemistry is that the most stable compounds are superaromatic and exotic enough to confound most classical analysis.

Manuel, Lawrence R.↗

IMPACT 1.0—Task Impairment: A Novel Approach for Assessing Impairment during Exploration-Class Missions

Exploration-class and International Space Station (ISS) missions have significantly different levels of associated medical risk for crewmembers. The Integrated Medical Model (IMM), the probabilistic risk assessment tool used for ISS medical trade-space analyses, uses a Functional Impairment (FI) metric to determine quality time lost should a crewmember be afflicted with a medical condition. While IMM-based FI has been successful for ISS operations, it has limitations when applied to exploration-class missions. As the National Aeronautics and Space Administration (NASA) looks ahead to Gateway, Artemis, and Martian missions, a novel, dynamic, and mission-appropriate impairment paradigm is necessary for accurate contingency planning. This paradigm, Task Impairment (TI), fulfills that need by utilizing mission-specific tasks. TI will allow future capability for a loss of mission metric, previously not available with IMM. TI serves as a replacement metric for FI within IMPACT, the next-generation trade-space analysis tool suite created to replace the IMM. IMPACT significantly increases the fidelity of probabilistic risk assessment for exploration-class missions. The Human Exploration of Mars Preliminary List of Crew Tasks (MTL, a source of 1100+ exploration-class mission-specific tasks for crewmembers) was used to calculate TI. Using the Task List, 18 individual Human System Categories were identified as being required to perform each task (e.g., Cardiopulmonary, Cognitive, etc.). Each of the 1200+ tasks were mapped to the Human System categories listed in the Task List. The total number of tasks in each category were tallied to determine how many tasks required each Human System. Lastly, each of the 120 medical conditions from the IMPACT condition list were mapped to the Human System categories to complete the TI calculation. NASA subject matter experts across five medical specialties established consensus for the mapping of each condition. The resulting total tasks impaired by each condition were used to calculate discrete TI values. This process was repeated for each of the four severity/resource utilization variants of each condition, and for each of the three phases of clinical care. Through this process, discrete TI values were calculated for each of the 120 IMPACT medical conditions and their variants. The Task Impairment metric provides higher fidelity, dynamic utility, and quicker analysis of medical impairment compared to the previous Functional Impairment metric used for the Integrated Medical Model. TI will be used for higher fidelity medical impairment analysis and contingency planning during Lunar, Martian, and other long-term exploration-class missions.

William L Fernandez↗

Why Do Oceanic Nonlinearities Contribute Only Weakly to Extreme El Niño Events?

Abstract Extreme El Niño events have outsized global impacts and control the El Niño Southern Oscillation (ENSO) warm/cold phases asymmetries. Yet, a consensus regarding the relative contributions of atmospheric and oceanic nonlinearities to their genesis remains elusive. Here, we isolate the contribution of oceanic nonlinearities by conducting paired experiments forced with opposite wind stress anomalies in an oceanic general circulation model, which realistically simulates extreme El Niño events and oceanic nonlinearities thought to contribute to ENSO skewness (Tropical Instability Waves (TIWs), Nonlinear Dynamical Heating (NDH)). Our findings indicate a weak contribution of oceanic nonlinearities to extreme El Niño events in the eastern Pacific, owing to compensatory effects between lateral (NDH and TIWs) and vertical processes. These results hold across different vertical mixing schemes and modifications of the upper‐ocean heat budget mixed layer criterion. Our study reinforces previous research underscoring the pivotal role of atmospheric nonlinearities in shaping extreme El Niño events.

Geology↗

Space Suit CO2 Washout During Intravehicular Activity

Space suit carbon dioxide (CO2) washout refers to the removal of CO2 gas from the oral-nasal area of a suited astronaut's (or crewmember's) helmet using the suit's ventilation system. Inadequate washout of gases can result in diminished mental/cognitive abilities as well as headaches and light headedness. In addition to general discomfort, these ailments can impair an astronaut s ability to perform mission-critical tasks ranging from flying the space vehicle to performing lunar extravehicular activities (EVAs). During design development for NASA s Constellation Program (CxP), conflicting requirements arose between the volume of air flow that the new Orion manned space vehicle is allocated to provide to the suited crewmember and the amount of air required to achieve CO2 washout in a space suit. Historically, space suits receive 6.0 actual cubic feet per minute (acfm) of air flow, which has adequately washed out CO2 for EVAs. For CxP, the Orion vehicle will provide 4.5 acfm of air flow to the suit. A group of subject matter experts (SM Es) among the EVA Systems community came to an early consensus that 4.5 acfm may be acceptable for low metabolic rate activities. However, this value appears very risky for high metabolic rates, hence the need for further analysis and testing. An analysis was performed to validate the 4.5 acfm value and to determine if adequate CO2 washout can be achieved with the new suit helmet design concepts. The analysis included computational fluid dynamic (CFD) modeling cases, which modeled the air flow and breathing characteristics of a human wearing suit helmets. Helmet testing was performed at the National Institute of Occupational Safety and Health (NIOSH) in Pittsburgh, Pennsylvania, to provide a gross-level validation of the CFD models. Although there was not a direct data correlation between the helmet testing and the CFD modeling, the testing data showed trends that are very similar to the CFD modeling. Overall, the analysis yielded results that were better than anticipated, with a few unexpected findings that could not easily be explained. Results indicate that 4.5 acfm is acceptable for CO2 washout and helmet design. This paper summarizes the results of this CO2 washout study.

Augustine, Phillip M.↗

FY21 Progress Report: SRNL Analysis of ICCWR LCM and WAMS data for Corrosion and Cracking

The development of algorithms for machine learning and data analysis for the 3013 Surveillance Program is a collaborative effort by the Savannah River National Laboratory (SRNL) and the University of South Carolina (USC). For corrosion detection, Laser Confocal Microscope (LCM) or Wide Area 3D Measurement System (WAMS) data is extracted from large binary files, with software written to convert the data to physical attributes (e.g., height, color and grayscale values; all as functions of a location in a plane projection). A user-friendly Matlab Graphical User Interface (GUI) that reads data from either LCM or WAMS files was developed to integrate input data with software developed for processing and evaluation. The GUI can selectively download binary data, interrogate data attributes, label data, flag significant features, execute Machine Learning (ML) algorithms, output parameters for trained ML algorithms, report ML model accuracy with respect to labeled data, and generate graphical representations for various analyses. Features can be called out by user-specified thresholds, manual labeling or machine learning algorithms when they have been completed. The ability to rapidly label data is important because of the volume of data required for training machine learning algorithms. The GUI has the flexibility to allow addition of improved ML algorithms, methods for data visualization, and statistical computations. Statistical analyses via the GUI include areas of pits within a defined range of pit depths, correlations between Red-Green-Blue (RGB) or grayscale intensity and relative surface height, covariances between values associated with features, and feature histograms. The development of supervised machine learning algorithms, however, has been hindered by a lack of training data. The machine learning algorithms for crack identification are being refined but require improvements to the true positive rate for crack detection. This shortcoming is an artifact of the limited training data currently available, perhaps more so than the structure of the neural networks. At present, the best results are had from a consensus over an ensemble of randomly generated Deep Neural Network (DNN) or Convolutional Neural Network (CNN) algorithms. Although the consensus accuracy method has yielded optimum true positive and true negative rates in excess of 80%, additional validation testing is necessary. In addition to the suite of LCM data that was initially used, and which represents the majority of the work presented in this report, WAMS image data was also reviewed at a preliminary level. The review included a comparison between image resolution and dynamic range for each method. WAMS (ZON file) image data was found to have a pixel pitch of 3.69μm compared to 1 μm for the LCM (vk4 file) data, which implies a lower resolution for the WAMS images. Conversely, the ratio of dynamic range of the WAMS data to the LCM data was approximately 41:20 for height data, suggesting that information from WAMS should more accurately determine the depth of pits. At present, the significance of the greater dynamic range of the WAMS data relative to the LCM data has not yet been evaluated.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Multiple Mutations Associated with Emergent Variants Can Be Detected as Low-Frequency Mutations in Early SARS-CoV-2 Pandemic Clinical Samples

Genetic analysis of intra-host viral populations provides unique insight into pre-emergent mutations that may contribute to the genotype of future variants. Clinical samples positive for SARS-CoV-2 collected in California during the first months of the pandemic were sequenced to define the dynamics of mutation emergence as the virus became established in the state. Deep sequencing of 90 nasopharyngeal samples showed that many mutations associated with the establishment of SARS-CoV-2 globally were present at varying frequencies in a majority of the samples, even those collected as the virus was first detected in the US. A subset of mutations that emerged months later in consensus sequences were detected as subconsensus members of intra-host populations. Spike mutations P681H, H655Y, and V1104L were detected prior to emergence in variant genotypes, mutations were detected at multiple positions within the furin cleavage site, and pre-emergent mutations were identified in the nucleocapsid and the envelope genes. Because many of the samples had a very high depth of coverage, a bioinformatics pipeline, “Mappgene”, was established that uses both iVar and LoFreq variant calling to enable identification of very low-frequency variants. This enabled detection of a spike protein deletion present in many samples at low frequency and associated with a variant of concern.

60 APPLIED LIFE SCIENCES↗

Evolution of 1 / f Flux Noise in Superconducting Qubits with Weak Magnetic Fields

The microscopic description of 1/f magnetic flux noise in superconducting circuits has remained an open question for several decades despite extensive experimental and theoretical investigation. Recent progress in superconducting devices for quantum information has highlighted the need to mitigate sources of qubit decoherence, driving a renewed interest in understanding the underlying noise mechanism(s). Though a consensus has emerged attributing flux noise to surface spins, their identity and interaction mechanisms remain unclear, prompting further study. Here, we apply weak in-plane magnetic fields to a capacitively shunted flux qubit (where the Zeeman splitting of surface spins lies below the device temperature) and study the flux-noise-limited qubit dephasing, revealing previously unexplored trends that may shed light on the dynamics behind the emergent 1/f noise. Notably, we observe an enhancement (suppression) of the spin-echo (Ramsey) pure-dephasing time in fields up to B = 100 G. With direct noise spectroscopy, we further observe a transition from a 1/f to approximately Lorentzian frequency dependence below 10 Hz and a reduction of the noise above 1 MHz with increasing magnetic field. Here, we suggest that these trends are qualitatively consistent with an increase of spin cluster sizes with magnetic field. These results should help to inform a complete microscopic theory of 1/f flux noise in superconducting circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces

The air-water and graphene-water interfaces represent quintessential examples of the liquid-gas and liquid-solid boundaries, respectively. While the sum-frequency generation (SFG) spectra of these interfaces show similarities, a consensus on their signals and interpretations has yet to be reached. Leveraging deep learning, we computed first-principles SFG spectra for both systems, addressing experimental discrepancies. Here, our findings reveal that similarities in SFG signals do not translate into comparable interfacial microscopic properties. Instead, graphene-water and air-water interfaces exhibit fundamental differences in SFG-active thicknesses, hydrogen-bonding networks, and surface dynamics. These distinctions underscore roughness suppression and electronic interactions present at the solid-liquid interface but absent at the gas-liquid interface.

Wang, Yong [Princeton Univ., NJ (United States)] (↗

Optimal conditions for efficient flow-electrode capacitive deionization

One of the current barriers to achieving fast and stable performance for flow-electrode capacitive deionization (FCDI) is determining optimal operating parameters. To date, however, no consensus has been reached for universal conditions for FCDI. Through experimental and modeling approaches in this study, we systematically evaluated the influence of applied potential (V = 1.2–2.4 V) and electrolyte concentration (C0 = 0.05–0.5 M) on the FCDI and electrodialysis (ED) desalination processes. Evaluation indicators include the concentration decrease in the desalinated solution, salt removal rates, pH fluctuations, charge efficiency, and energy consumption. Results demonstrated that the dynamic curves of concentration decrease at 2.0 V nearly overlapped with the response at 1.6 V at certain electrolyte concentrations, while the salt removal rates at 0.2 M salt concentration were the best among all concentrations tested at a range of applied potential. Therefore, it was thus concluded that the optimum conditions for FCDI operation are 1.6 V applied potential and 0.2 M initial salt concentration, under which faradaic reactions are not being triggered, and concentration polarization does not significantly affect ion transfer. Furthermore, a comparative study between FCDI and ED indicated that ED has a different dependence on the electrolyte concentration and applied potential, in which the desalination can be linearly enhanced with increasing potential but greatly limited at high concentrations. Due to the presence of carbon particles in FCDI, the enhanced charge/ion transfer is probably the main reason for the different desalination performance of FCDI and ED. Overall, the optimal operating parameters obtained in this work could be used as basic test conditions for further development of new carbon-based materials for FCDI.

42 ENGINEERING↗

Granger causal inference for climate change attribution

Abstract Climate change detection and attribution (D&A) is concerned with determining the extent to which anthropogenic activities have influenced specific aspects of the global climate system. D&A fits within the broader field of causal inference, the collection of statistical methods that identify cause and effect relationships. There are a wide variety of methods for making attribution statements, each of which require different types of input data and focus on different types of weather and climate events and each of which are conditional to varying extents. Some methods are based on Pearl causality (direct experimental interference) while others leverage Granger (predictive) causality, and the causal framing provides important context for how the resulting attribution conclusion should be interpreted. However, while Granger-causal attribution analyses have become more common, there is no clear statement of their strengths and weaknesses relative to Pearl-causal attribution and no clear consensus on where and when Granger-causal perspectives are appropriate. In this prospective paper, we provide a formal definition for Granger-based approaches to trend and event attribution and a clear comparison with more traditional methods for assessing the human influence on extreme weather and climate events. Broadly speaking, Granger-causal attribution statements can be constructed quickly from observations and do not require computationally-intesive dynamical experiments. These analyses also enable rapid attribution, which is useful in the aftermath of a severe weather event, and provide multiple lines of evidence for anthropogenic climate change when paired with Pearl-causal attribution. Confidence in attribution statements is increased when different methodologies arrive at similar conclusions. Moving forward, we encourage the D&A community to embrace hybrid approaches to climate change attribution that leverage the strengths of both Granger and Pearl causality.

Risser, Mark D. (ORCID:0000000319561783)↗

The Updated Solar Activity Prediction during the MAVEN Mission, but Should We Believe It?

Mars atmospheric processes are very dependent not only on the absolute level of the solar irradiance but also the changes in solar irradiance. Correlated with many of these irradiance changes, especially during solar flares, are large particle events called coronal mass ejections that themselves significantly drive processes in the Martian atmosphere. The NOAA Space Weather Prediction Center has issued a consensus solar cycle activity prediction for the upcoming solar cycle 24 maximum, and this maximum period of solar activity will be during the prime MAVEN science mission. This 'consensus' prediction calls for lower activity than the previous solar cycle maximum that occurred during the years 2001-2002, but looking at the wide spread of peer-reviewed predictions there is little faith that can be taken in any one prediction. This drives the importance of real-time measurements from the LPW/EUV diodes and the measurement and modeling results that will be improved upon using results from the Solar Dynamics Observatory (SDO).

Chamberlin, Philip↗

Assessing Impacts of Plant Stoichiometric Traits on Terrestrial Ecosystem Carbon Accumulation Using the E3SM Land Model

Carbon (C) enters into the terrestrial ecosystems via photosynthesis and cycles through the system together with other essential nutrients (i.e., nitrogen [N] and phosphorus [P]). Such a strong coupling of C, N, and P leads to the theoretical prediction that limited nutrient availability will limit photosynthesis rate, plant growth, and future terrestrial C dynamics. However, the lack of reliable information about plant tissue stoichiometric constraints remains a challenge for quantifying nutrient limitations on projected global C cycling. In this study, we harmonized observed plant tissue C:N:P stoichiometry from more than 6,000 plant species with the commonly used plant functional type framework in global land models. Using observed C:N:P stoichiometry and the flexibility of these ratios as emergent plant traits, we show that observationally constrained fixed plant stoichiometry does not improve model estimates of present-day C dynamics compared with unconstrained stoichiometry. However, adopting stoichiometric flexibility significantly improves model predictions of C fluxes and stocks. The 21st century simulations with RCP8.5 CO 2 concentrations show that stoichiometric flexibility, rather than baseline stoichiometric ratios, is the dominant controller of plant productivity and ecosystem C accumulation in modeled responses to CO 2 fertilization. The enhanced nutrient limitations and plant P use efficiency mainly explain this result. This study is consistent with the previous consensus that nutrient availability will limit xfuture land carbon sequestration but challenges the idea that imbalances between C and nutrient supplies and fixed stoichiometry limit future land C sinks. We show here that it is necessary to represent nutrient stoichiometric flexibility in models to accurately project future terrestrial ecosystem carbon sequestration.

54 ENVIRONMENTAL SCIENCES↗

Flying qualities - A costly lapse in flight-control design

Generic problems in advanced aircraft with advanced control systems which suffer from control sensitivity, sluggish response, and pilot-induced oscillation tendencies are examined, with a view to improving techniques for eliminating the problems in the design phase. Results of two NASA and NASA/AIAA workshops reached a consensus that flying qualities criteria do not match control system development, control system designers are not relying on past experience in their field, ground-based simulation is relied on too heavily, and communications between flying qualities and control systems engineers need improvement. A summation is offered in that hardware and software have outstripped the pilot's capacity to use the capabilities which new aircraft offer. The flying qualities data base is stressed to be dynamic, and continually redefining the man/machine relationships.

Berry, D. T.↗

Autonomous Formations of Multi-Agent Systems

Autonomous formation control of multi-agent dynamic systems has a number of applications that include ground-based and aerial robots and satellite formations. For air vehicles, formation flight ("flocking") has the potential to significantly increase airspace utilization as well as fuel efficiency. This presentation addresses two main problems in multi-agent formations: optimal role assignment to minimize the total cost (e.g., combined distance traveled by all agents); and maintaining formation geometry during flock motion. The Kuhn-Munkres ("Hungarian") algorithm is used for optimal assignment, and consensus-based leader-follower type control architecture is used to maintain formation shape despite the leader s independent movements. The methods are demonstrated by animated simulations.

Dhali, Sanjana↗