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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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Interferometric Quantum-Nondemolition Single-Photon Detectors

Two interferometric quantum-nondemolition (QND) devices have been proposed: (1) a polarization-independent device and (2) a polarization-preserving device. The prolarization-independent device works on an input state of up to two photons, whereas the polarization-preserving device works on a superposition of vacuum and single- photon states. The overall function of the device would be to probabilistically generate a unique detector output only when its input electromagnetic mode was populated by a single photon, in which case its output mode would also be populated by a single photon. Like other QND devices, the proposed devices are potentially useful for a variety of applications, including such areas of NASA interest as quantum computing, quantum communication, detection of gravity waves, as well as pedagogical demonstrations of the quantum nature of light. Many protocols in quantum computation and quantum communication require the possibility of detecting a photon without destroying it. The only prior single- photon-detecting QND device is based on quantum electrodynamics in a resonant cavity and, as such, it depends on the photon frequency. Moreover, the prior device can distinguish only between one photon and no photon. The proposed interferometric QND devices would not depend on frequency and could distinguish between (a) one photon and (b) zero or two photons. The first proposed device is depicted schematically in Figure 1. The input electromagnetic mode would be a superposition of a zero-, a one-, and a two-photon quantum state. The overall function of the device would be to probabilistically generate a unique detector output only when its input electromagnetic mode was populated by a single photon, in which case its output mode also would be populated by a single photon.

Kok, Peter↗

Modeling of aqueous species interaction energies prior to nucleation in cement-based gel systems

Arguably the most ubiquitous construction material in modern civilization, concrete is enabling the development of megacities around the globe together with increasing living standards in developing nations. However, the exact formation mechanisms of the strength-giving calcium-rich gels remain a topic of debate. Using density functional modeling, we simulate the fundamental solution-based building blocks of cement hydrates (calcium ions and silicate and aluminate monomers) and their propensity to form pair-wise complexes with bonding environments characteristic of those found in calcium-silicate-hydrate, calcium-alumino-silicate-hydrate and sodium-containing calcium-alumino-silicate-hydrate gels, as assessed from Gibbs free energies of chemical reactions. By accurately simulating the high pH pore solution chemistry in Portland cements and related systems, along with discrete solvation of the species, we hypothesize potential early age formation routes of the gels and discuss limitations and future work associated with this approach.

36 MATERIALS SCIENCE↗

Peripheral leukocyte subpopulations and catecholamine levels in astronauts as a function of mission duration

OBJECTIVE: The objective of this study was to determine the effects of spaceflight duration on immune cells and their relationship to catecholamine levels. METHODS: Eleven astronauts who flew aboard five different US Space Shuttle flights ranging in duration from 4 to 16 days were studied before launch and after landing. RESULTS: Consistent with prior studies, spaceflight was associated with a significant increase in the number of circulating white blood cells (p <.01), including neutrophils (p <.01), monocytes (p <.05), CD3+CD4+ T-helper cells (p <.05), and CD19+ B cells (p <.01). In contrast, the number of CD3-CD16+56+ natural killer cells was decreased (p <.01). Plasma norepinephrine levels were increased at landing (p <.01) and were significantly correlated with the number of white blood cells (p <.01), neutrophils (p <.01), monocytes (p <.01), and B cells (p <.01). Astronauts who were in space for approximately 1 week showed a significantly larger increase on landing in plasma norepinephrine (p =.02) and epinephrine (p =.03) levels, as well as number of circulating CD3+CD4+ T-helper cells (p <.05) and CD3+CD8+ T-cytotoxic cells (p <.05) as compared with astronauts in space for approximately 2 weeks. CONCLUSIONS: The data suggest that the stress of spaceflight and landing may lead to a sympathetic nervous system-mediated redistribution of circulating leukocytes, an effect potentially attenuated after longer missions.

Flight Experiment↗

Changes in gravity inhibit lymphocyte locomotion through type I collagen

Immunity relies on the circulation of lymphocytes through many different tissues including blood vessels, lymphatic channels, and lymphoid organs. The ability of lymphocytes to traverse the interstitium in both nonlymphoid and lymphoid tissues can be determined in vitro by assaying their capacity to locomote through Type I collagen. In an attempt to characterize potential causes of microgravity-induced immunosuppression, we investigated the effects of simulated microgravity on human lymphocyte function in vitro using a specialized rotating-wall vessel culture system developed at the Johnson Space Center. This very low shear culture system randomizes gravitational vectors and provides an in vitro approximation of microgravity. In the randomized gravity of the rotating-wall vessel culture system, peripheral blood lymphocytes did not locomote through Type I collagen, whereas static cultures supported normal movement. Although cells remained viable during the entire culture period, peripheral blood lymphocytes transferred to unit gravity (static culture) after 6 h in the rotating-wall vessel culture system were slow to recover and locomote into collagen matrix. After 72 h in the rotating-wall vessel culture system and an additional 72 h in static culture, peripheral blood lymphocytes did not recover their ability to locomote. Loss of locomotory activity in rotating-wall vessel cultures appears to be related to changes in the activation state of the lymphocytes and the expression of adhesion molecules. Culture in the rotating-wall vessel system blunted the ability of peripheral blood lymphocytes to respond to polyclonal activation with phytohemagglutinin. Locomotory response remained intact when peripheral blood lymphocytes were activated by anti-CD3 antibody and interleukin-2 prior to introduction into the rotating-wall vessel culture system. Thus, in addition to the systemic stress factors that may affect immunity, isolated lymphocytes respond to gravitational changes by ceasing locomotion through model interstitium. These in vitro investigations suggest that microgravity induces non-stress-related changes in cell function that may be critical to immunity. Preliminary analysis of locomotion in true microgravity revealed a substantial inhibition of cellular movement in Type I collagen. Thus, the rotating-wall vessel culture system provides a model for analyzing the microgravity-induced inhibition of lymphocyte locomotion and the investigation of the mechanisms related to lymphocyte movement.

Weightlessness↗

Controlling Reaction Routes in Noble‐Metal‐Catalyzed Conversion of Aryl Ethers

Abstract Hydrogenolysis and hydrolysis of aryl ethers in the liquid phase are important reactions for accessing functionalized cyclic compounds from renewable feedstocks. On supported noble metals, hydrogenolysis is initiated by a hydrogen addition to the aromatic ring followed by C−O bond cleavage. In water, hydrolysis and hydrogenolysis proceed by partial hydrogenation of the aromatic ring prior to water or hydrogen insertion. The mechanisms are common for the studied metals, but the selectivity to hydrogenolysis increases in the order Pd 2 pressure, thus, the selectivity to hydrogenolysis is maximized by increasing temperature and decreasing H 2 pressure. Selectivity to C−O bond cleavage reaches >95 % in water and alkaline conditions.

Schmid, Julian↗

Controlling Reaction Routes in Noble‐Metal‐Catalyzed Conversion of Aryl Ethers

Abstract Hydrogenolysis and hydrolysis of aryl ethers in the liquid phase are important reactions for accessing functionalized cyclic compounds from renewable feedstocks. On supported noble metals, hydrogenolysis is initiated by a hydrogen addition to the aromatic ring followed by C−O bond cleavage. In water, hydrolysis and hydrogenolysis proceed by partial hydrogenation of the aromatic ring prior to water or hydrogen insertion. The mechanisms are common for the studied metals, but the selectivity to hydrogenolysis increases in the order Pd 2 pressure, thus, the selectivity to hydrogenolysis is maximized by increasing temperature and decreasing H 2 pressure. Selectivity to C−O bond cleavage reaches >95 % in water and alkaline conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extreme sparsification of physics-augmented neural networks for interpretable model discovery in mechanics

Data-driven constitutive modeling with neural networks has received increased interest in recent years due to its ability to easily incorporate physical and mechanistic constraints and to overcome the challenging and time-consuming task of formulating phenomenological constitutive laws that can accurately capture the observed material response. However, even though neural network-based constitutive laws have been shown to generalize proficiently, the generated representations are not easily interpretable due to their high number of trainable parameters. Sparse regression approaches exist that allow for obtaining interpretable expressions, but the user is tasked with creating a library of model forms which by construction limits their expressiveness to the functional forms provided in the libraries. Here, in this work, we propose to train regularized physics-augmented neural network-based constitutive models utilizing a smoothed version of $L^0$-regularization. This aims to maintain the trustworthiness inherited by the physical constraints, but also enables interpretability which has not been possible thus far on any type of machine learning-based constitutive model where model forms were not assumed a priori but were actually discovered. During the training process, the network simultaneously fits the training data and penalizes the number of active parameters, while also ensuring constitutive constraints such as thermodynamic consistency. We show that the method can reliably obtain interpretable and trustworthy constitutive models for compressible and incompressible hyperelasticity, yield functions, and hardening models for elastoplasticity, using synthetic and experimental data. This work aims to set a new paradigm for interpretable machine learning models in the broad area of solid mechanics where low and limited data is available along with prior knowledge of physical constraints that the learned maps need to obey. This paradigm can potentially be extended to a broader spectrum of scientific exploration.

Data-driven constitutive models↗

Estimation of process steady state with autoregressive models and Bayesian inference

To improve efficiency, separations engineers will typically design process circuits containing recirculating streams, which mix one or more of the process outputs with the feed material. Doing so can improve efficiency, but will cause a delay in the system reaching steady state conditions until the recirculating load mass flows stabilize. In testing separation circuits, engineers will often test a variety of factors and complete an analysis from sample results. Knowledge of if a process is at steady state, as well as the steady state conditions of a process, is essential for a valid techno-economic analysis. However, the definition of process steady state is often poorly defined, or does not include uncertainty quantification. If the performance of a process operating under two different sets of conditions are compared, an engineer who does not test for steady state or quantify steady state conditions risks producing a faulty analysis. In this work, a Bayesian statistical method for testing if all streams are at steady state is further motivated and then derived. Then after testing for steady state, the same model is used with a prior distribution that enforces a steady state assumption to estimate steady state conditions. Further, these methods were validated in a solvent extraction pilot plant where steady state conditions for all outflows were inferred with uncertainty quantification. Analysis is completed with functions available to the reader as part of the BayesMassBal (V 1.1.0) software package written in R.

01 COAL, LIGNITE, AND PEAT↗

In-situ synchrotron X-ray investigation of phase evolution in gas atomized powder enabling manufacturing of nanoscale oxide-dispersion strengthened ferritic steels

Here, we present an investigation of Fe-14Cr-3W-0.4Y-0.4Zr-0.18Ti (wt.%) as a reduced-activation oxide-dispersion strengthened (ODS) ferritic steel, an alternative to the “14YWT” structural alloys designed for nuclear energy applications. Gas atomization reaction synthesis (GARS) was used to produce these Zr-modified powders with a non-equilibrium (metastable) phase that enable a heat treatment (delayed) route for producing nanoscale oxide-dispersion strengthening. In situ synchrotron X-ray diffraction and transmission electron microscopy were used to analyze phase evolution as a function of temperature and time, revealing formation of highly dispersed oxide nanoprecipitate phases at temperatures above those needed for powder consolidation and shaping of components. This would allow fabrication of net-shape parts using conventional powder-processing methods prior to thermal activation of a reaction producing nanocrystalline Y-(Ti, Zr)-O particles, with a size of 20 ± 7 nm. These results can inform processing of tubes, cladding, sheets, and plates for use in advanced fission and fusion reactors.

In-situ synchrotron X-ray diffraction↗

Measurement of muon pairs produced via γ γ scattering in nonultraperipheral Pb + Pb collisions at s N N = 5.02 TeV with the ATLAS detector

Results of a measurement of dimuon photoproduction in nonultraperipheral Pb + Pb collisions at √ s NN = 5.02 TeV are presented. The measurement uses ATLAS data from the 2015 and 2018 Pb + Pb data-taking periods at the LHC with an integrated luminosity of 1.94 nb –1 . The γγ → μ + μ – pairs are identified via selections on pair momentum asymmetry and acoplanarity. Differential cross sections for dimuon production are measured in different centrality, average muon momentum, and pair rapidity intervals as functions of acoplanarity and k ⊥ , the transverse momentum kick of one muon relative to the other. Measurements are also made as a function of the rapidity separation of the muons and the angle of the muon pair relative to the second-order event plane to test whether magnetic fields generated in the quark-gluon plasma affect the measured muons. A prior observation of a centrality-dependent broadening of the acoplanarity distribution is confirmed. Furthermore, the improved precision of the measurement reveals a depletion in the number of pairs having small acoplanarity or k ⊥ values in more central collisions. The acoplanarity distributions in a given centrality interval are observed to vary with the mean p T of the muons in the pair, but the k ⊥ distributions do not. Comparisons with recent theoretical predictions are made. The predicted trends associated with effects of magnetic fields on the dimuons are not observed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Final Technical Report for project entitled Highly Active, Durable, and Ultra-Low PGM NSTF Thin Film ORR Catalysts and Support

In this project, the objective was to develop new oxygen reduction reaction (ORR) electrocatalysts for proton exchange membrane fuel cells (PEMFCs) which could exceed all of the Department of Energy (DOE) 2020 targets listed in DE-FOA-0001224, Subtopic 1b, Table I. The expected outcome was development of one or more electrocatalysts which are substantially improved over the current state-of-the-art in terms of overall activity, durability, and cost, and are suitable for automotive traction and stationary fuel cell applications. This report summarizes this project’s progress towards meeting the stated objectives and includes a summary of key findings and conclusions. The development activities towards new highly active and durable thin film electrocatalysts has led to the discovery of several electrocatalysts which approached or exceeded several DOE 2020 targets for activity, durability, and performance in proton exchange membrane fuel cell (membrane electrode assemblies (MEAs). In this project, electrocatalyst development focused on systematic physical and electrochemical characterization of electrocatalyst activity, durability, and performance in MEAs as a function of electrocatalyst fabrication, compositional and structural variables. The project approach was to develop relationships between the catalyst functional responses (activity, durability and performance) with catalyst physical properties and catalyst fabrication methods. Additionally, the thin film catalysts were integrated onto the unique and durable 3M Nanostructured Thin Film (NSTF) support, consisting of arrays of self-assembled organic crystalline whiskers. The catalysts were evaluated against the project targets via extensive electrochemical characterization in MEA format at 3M, advanced structural and compositional microscopy at Oak Ridge National Laboratory (ORNL), and atomic structure analysis via XAFS at Argonne National Laboratory (ANL). The extensive electrochemical and physical characterization resulted in development of several trends which correlate the catalysts’ electrochemical properties to their physical properties, including composition, structure, and method of fabrication. The development was guided by density functional theory (DFT) modeling at Purdue University and kinetic Monte Carlo (kMC) modeling at Johns Hopkins University. The catalyst simulations provided key insights into the observed experimental activity and durability trends, and additionally were utilized to assess new electrocatalyst concepts prior to or coincident with physical catalyst development. This development has led to several electrocatalyst candidates with activity and durability which approach or exceed DOE targets. One class of catalysts, based on nm-scale thin layers of Pt on Ir, met or exceeded 6 of the 6 DOE targets the project addressed.

08 HYDROGEN↗

Application of the cepstrum to remove echoes from rotor acoustic spectra

The application of the power cepstrum technique to the analysis of model scale helicopter rotor noise spectra is investigated. The power cepstrum technique emerges as a useful tool for the removal of undesired acoustic reflections from measured rotor spectra. It is most effective when the reflections are exact duplicates of the signal, i.e., when the echo transfer function is linear. Moreover, the technique is best applied to a measured spectrum which is due entirely to the signal and its echoes, when no nonsource related signals are present. It is noted that this technique can be applied without prior knowledge of the echo characteristics.

Martin, R. M.↗

Observations of the Polar Cap Area During Substorms

The area of the polar cap as a function of local time and substorm phase was measured using images from the Polar Ultraviolet Imager for different interplanetary magnetic field orientations during three substorms in January 1997. We present a new finding that the increase in polar cap area prior to onset and the decrease in the area following it are independent of the strength of the southward component. For one case the polar cap area increased while the southward component of the IMF was no less that -0.5 nT. It was also found that the polar cap boundary is determined by auroral images is strongly influenced by thinning of the oval, decrease in polar cap structures, the poleward expansion of the substorm at midnight and the fading of luminosity below the instrument sensitivity threshold. Generally these effects dominate over the latitudinal motion of the auroral oval at its equatorward edge. These observations have strong implications for models that use the polar cap area to estimate the magnitude of energy storage in the lobe magnetic field and loss during substorms.

Brittnacher, M. J.↗

MPST Software: grl_pef_check

This innovation is a tool used to verify and validate spacecraft sequences at the predicted events file (PEF) level for the GRAIL (Gravity Recovery and Interior Laboratory, see http://www.nasa. gov/mission_pages/grail/main/index. html) mission as part of the Multi-Mission Planning and Sequencing Team (MPST) operations process to reduce the possibility for errors. This tool is used to catch any sequence related errors or issues immediately after the seqgen modeling to streamline downstream processes. This script verifies and validates the seqgen modeling for the GRAIL MPST process. A PEF is provided as input, and dozens of checks are performed on it to verify and validate the command products including command content, command ordering, flight-rule violations, modeling boundary consistency, resource limits, and ground commanding consistency. By performing as many checks as early in the process as possible, grl_pef_check streamlines the MPST task of generating GRAIL command and modeled products on an aggressive schedule. By enumerating each check being performed, and clearly stating the criteria and assumptions made at each step, grl_pef_check can be used as a manual checklist as well as an automated tool. This helper script was written with a focus on enabling the user with the information they need in order to evaluate a sequence quickly and efficiently, while still keeping them informed and active in the overall sequencing process. grl_pef_check verifies and validates the modeling and sequence content prior to investing any more effort into the build. There are dozens of various items in the modeling run that need to be checked, which is a time-consuming and errorprone task. Currently, no software exists that provides this functionality. Compared to a manual process, this script reduces human error and saves considerable man-hours by automating and streamlining the mission planning and sequencing task for the GRAIL mission.

Call, Jared A.↗

SC-228 Inclusion of DAA Warning Alert for TCAS Interoperability

This white paper summarizes NASA research results that have informed Special Committee 228 (SC-228) discussions and decisions regarding the inclusion of a warning-level alert within the detect and avoid (DAA) alerting structure for unmanned aircraft systems (UAS). For UAS, the removal of the pilot from onboard the aircraft has eliminated the ability of the ground-based pilot in command (PIC) to use out-the-window visual information to make judgments about a potential threat of a loss of well clear with another aircraft. As a result, the DAA traffic display will be the primary source of information that the PIC can use to execute the three primary well clear functions: 1) detect a potential loss of well clear, 2) determine a resolution maneuver, and 3) upload that maneuver to the aircraft via the ground control station (GCS). In addition, pilots are required to coordinate with air traffic control (ATC) prior to maneuvering off of their approved flight plan. In determining an appropriate resolution maneuver to avoid a loss of well clear, the PIC must decide both when and how to maneuver, and both the timeliness and the accuracy (i.e., correctness) of the maneuver are critical to reducing the likelihood and/or severity of a loss of well clear. Alerting information is one of three critical components of the DAA display, along with traffic information elements (e.g., relative heading, speed and altitude) and maneuver guidance. Alerting information and maneuver guidance, in particular, have been found to have a significant impact, both statistically and practically, on pilots' ability to avoid and minimize the severity of losses of well clear While all three display components are key to pilots performing the traffic avoidance task of remaining well clear, in general, alerting information provides crucial information about when a resolution maneuver is required while maneuver guidance assists the pilot in determining how best to maneuver. A fundamental task of the DAA alerting system is to provide critical timing information to the pilot about the potential for a loss of well clear with another aircraft. This is done by employing both temporal and spatial thresholds that indicate to the pilot the likelihood and imminence of a loss of well clear. The design of the DAA alerting thresholds is a balancing act between eliciting the desired pilot response in real loss of well clear threat events and reducing excessive, unnecessary, and/or uncoordinated UAS maneuvering within the air traffic environment; larger thresholds, both spatially and temporally, may increase the likelihood of a pilot avoiding a loss of well clear, but it can also increase the frequency of maneuvering - especially in cases where a maneuver is not actually needed to maintain well clear. A series of human in the loop (HITL) simulations have been conducted as part of NASA's Unmanned Aircraft Systems (UAS) Integration in the National Airspace System (NAS) project. The purpose of these HITLs has been to provide empirical results in order to inform development of the minimum human-machine interface requirements for the DAA system. This white paper will present those results which provide evidence of a human performance benefit (in terms of response times and ability to remain well clear of other aircraft) of the DAA warning alert both with and without a collision avoidance system on board the aircraft.

TCAS interoperability↗

Airspace Technology Demonstration 2 (ATD-2) Integrated Surface and Airspace Simulation - Experiment Plan

This presentation describes the objectives and high level setup for the human-in-the-loop simulation of the integrated surface and airsapce simulation of the ATD-2 Integrated Arrival, Departure, Surface (IADS) system. The purpose of the simulation is to evaluate the functionality of the IADS system, including tactical surface scheduler, negotiation of departure times for the flights under Traffic Management Initiatives (TMIs), and data exchange between ATC Tower and airline Ramp. The same presentation was presented to serve the experiment review prior to the simulation.

Surface↗

Overview of NASA's Air Traffic Management - eXploration (ATM-X) Project

Projected increases in new vehicle types, new missions, and the continual growth in traditional (e.g., airlines, general aviation) aviation will require changes to the current air traffic system, particularly to accommodate the desire of operators to be more involved in air traffic decisions. To address these challenges, the National Airspace System needs to undergo a transformation to a more scalable, flexible, user-focused system that addresses safety and security requirements and resiliency for current and new users. A system designed to integrate modular software services, provided by users, third parties and government for air traffic management functions, will be scalable and more easily allow modernization and for collaboration between users and service providers. ATM-X is responding to NASA's pivot towards integrating projected new, diverse entrants into the NAS, while also leveraging NASA's prior ATM achievements that continue to improve traditional airspace operations. This project is a two-phased approach to conduct research and focused evaluations to assess the feasibility of a service-based approach and to identify critical design considerations to enable airspace access for new entrants, integrated with current traditional operations. Phase 1 research will be conducted to determine what is needed to reach the ATM-X goals based on specific use-cases to enable large-scale, passenger-carrying Urban Air Mobility operations in a metroplex environment, and also to improve traditional operations in the Northeast Region leveraging mature NASA technologies. Some of these evaluations will be conducted in simulations and field activities. Phase 2 will build upon Phase 1 towards more defined, focused research and field demonstrations in real-world environments to integrate multiple elements of a scalable, service-based ATM-X concept.

air traffic management↗

JGI QC impact on assembly, binning, phylogenomics, and functional analysis

Background Investigators using metagenomic sequencing to study their microbiomes are often provided data that has been trimmed and decontaminated or do it themselves without knowing the effect these procedures can have on their downstream analyses. Here we evaluated the impact that JGI trimming and decontamination procedures had on assembly and binning metrics, placement of metagenome assembled genomes into species trees, and functional profiles of metagenome-assembled genomes (MAGs) extracted from twenty three complex rhizosphere metagenomes. We also investigated how more aggressive trimming impacts these binning metrics. Results We found that JGI trimmed and decontamination of input reads had some significant impacts in assembly and binning metrics compared to raw reads, and that differences in placement of MAGs in species trees increased with decreasing completeness and contamination thresholds. More aggressive trimming beyond those used by JGI were found to reduce MAG counts. Conclusions Mild trimming and decontamination of metagenomics reads prior to assembly can change an investigator’s answer to the questions, “Who is there and what are they doing? However, mild trimming and decontamination of metagenomic reads with high quality scores is recommended for those who elect to do so.

59 BASIC BIOLOGICAL SCIENCES↗