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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 37 records · Page 2

CO adsorption on (111) and (100) surfaces of the Pt sub 3 Ti alloy. Evidence for parallel binding and strong activation of CO

The CO adsorption on a 40 atom cluster model of the (111) surface and a 36 atom cluster model of the (100) surface of the Pt3Ti alloy was studied. Parallel binding to high coordinate sites associated with Ti and low CO bond scission barriers are predicted for both surfaces. The binding of CO to Pt sites occurs in an upright orientation. These orientations are a consequence of the nature of the CO pi donation interactions with the surface. On the Ti sites the orbitals donate to the nearly empty Ti 3d band and the antibonding counterpart orbitals are empty. On the Pt sites, however, they are in the filled Pt 5d region of the alloy band, which causes CO to bond in a vertical orientation by 5 delta donation from the carbon end.

Mehandru, S. P.↗

Protection of 2-(3-Thienyl)ethanol with 3-Thienylacetic Acid and Hard Cross- Linked Conducting Films by Electropolymerization of the Ester

The ester (compound 1) of 2-(3-thienyl)ethanol (T-etOH) with 3-thienylacetic acid was synthesized as a monomer whose two thiophene groups could be electropolymerized independently, becoming members of different polymer chains in a highly-crosslinked highly-insoluble polymer. Indeed, 1 was electropolymerized successfully alone and together with 3-methylthiophene (3MeT). Films of poly(1) are hard (3H, as opposed to less than 6B for poly(3MeT)), and the close proximity of the polymeric strands creates pi-stacking interactions. The behavior of 1 suggests that by: (a) limiting the potential used for the oxidation of monomeric esters of T-etOH at the foot of their oxidation waves (less than 1.8 V vs. Ag/AgCl); and, (b) compensating for the decrease in the electrogenerated radical concentration by increasing the monomer concentration, practically all esters of T-etOH should be electropolymerizable. This was confirmed by durable film formation from the archetypical ester of T-etOH, the 2-(3-thienyl)ethyl acetate (T-etOAc), whose homo-electropolymerization is reported for the first time.

Leventis, Nicholas↗

The Energetic Origins of Pi–Pi Contacts in Proteins

Accurate potential energy models of proteins must describe the many different types of noncovalent interactions that contribute to a protein’s stability and structure. Pi–pi contacts are ubiquitous structural motifs in all proteins, occurring between aromatic and nonaromatic residues and play a nontrivial role in protein folding and in the formation of biomolecular condensates. Guided by a geometric criterion for isolating pi–pi contacts from classical molecular dynamics simulations of proteins, we use quantum mechanical energy decomposition analysis to determine the molecular interactions that stabilize different pi–pi contact motifs. We find that neutral pi–pi interactions in proteins are dominated by Pauli repulsion and London dispersion rather than repulsive quadrupole electrostatics, which is central to the textbook Hunter–Sanders model. This results in a notable lack of variability in the interaction profiles of neutral pi–pi contacts even with extreme changes in the dielectric medium, explaining the prevalence of pi-stacked arrangements in and between proteins. We also find interactions involving pi-containing anions and cations to be extremely malleable, interacting like neutral pi–pi contacts in polar media and like typical ion–pi interactions in nonpolar environments. Like-charged pairs such as arginine–arginine contacts are particularly sensitive to the polarity of their immediate surroundings and exhibit canonical pi–pi stacking behavior only if the interaction is mediated by environmental effects, such as aqueous solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Portable computing - A fielded interactive scientific application in a small off-the-shelf package

Experience with the design and implementation of a portable computing system for STS crew-conducted science is discussed. Principal-Investigator-in-a-Box (PI) will help the SLS-2 astronauts perform vestibular (human orientation system) experiments in flight. PI is an interactive system that provides data acquisition and analysis, experiment step rescheduling, and various other forms of reasoning to astronaut users. The hardware architecture of PI consists of a computer and an analog interface box. 'Off-the-shelf' equipment is employed in the system wherever possible in an effort to use widely available tools and then to add custom functionality and application codes to them. Other projects which can help prospective teams to learn more about portable computing in space are also discussed.

Groleau, Nicolas↗

Measurement of Neutron Multiplicity in Charged Current Neutrino Interactions on Oxygen

The Accelerator Neutrino Neutron Interaction Experiment (ANNIE) is a 26-ton gadolinium-doped water Cherenkov detector located 100~meters downstream in the Booster Neutrino Beam (BNB) at the Fermi National Accelerator Laboratory (Fermilab). Its primary goals are to (1) measure the neutron yield from $\nu_\mu$ interactions as a function of momentum transfer $Q^2$ so that neutrino-nucleus interaction models can be better constrained, and (2) demonstrate the power of novel, fast-timing detectors with the first deployment of Large Area Picosecond PhotoDetectors (LAPPDs). Current knowledge of neutrino-nucleus interactions fall short in modeling the topologies of such interactions, leading to inaccurate reconstruction of event kinematics such as particle energy, direction, and vertex. As a consequence, the accuracy of cross section measurements is impacted, which is necessary for precise physics measurements. Neutrons are an indication of inelasticity and affect the determination of the energy of the parent neutrino. Quantifying the neutron yield is a step towards reducing the associated uncertainties, and thus improving our understanding of these complex interactions and benefiting the next generation of long-baseline neutrino experiments. ANNIE will make use of LAPPDs to measure neutron multiplicity of CC-0$\pi$ $\nu_\mu$ interactions on oxygen, making it the first experiment to deploy an array of these photodetectors. Because the LAPPD is a novel photodetection technology, much customization is required to integrate it into existing electronics. The first half of this thesis covers the significant progress made towards the first deployment of the LAPPD system. From its test stand at Fermilab, the LAPPD system was systematically tested and put together until deployment readiness was achieved. I present my contributions to the design, fabrication, and testing of the waterproof housing and cables, and the commissioning of the LVHV board that powers the LAPPD and its readout electronics. These efforts brought the LAPPD system significantly closer to deployment, and eventually first data. The second half of this thesis presents the vertex and energy reconstruction algorithms developed to analysis the beam data with PMT-only information. While much progress has been made towards the deployment of LAPPDs, with several in the detector tank, efforts to integrate the LAPPD datastream are in progress. Thus, I developed a ring edge detection technique using PMT data to fit the muon vertex and determine its energy. The analysis in this thesis finds average neutron yields of $\Bar{n}_{data} = 0.452 \pm 0.039 (\text{stat}) \pm 0.27 (\text{sys})$ for a selection of muon neutrino candidates in the fiducial volume of ANNIE and corrected with an averaged neutron detection efficiency. An equivalent analysis for simulated beam data results in an average neutron yield of $\Bar{n}_{MC} = 0.582 \pm 0.018 (\text{stat}) \pm 0.25 (\text{sys})$. Future work includes application of efficiency corrections at a positional level, quantification of all systematic uncertainties, and neutron multiplicity measurements with other event topologies.

43 PARTICLE ACCELERATORS↗

Progress toward double-differential cross-section measurements of single charged-pion production in charged current muon neutrino interactions on argon with SBND

Resonant neutrino–nucleus processes constitute a significant portion of neutrino interactions in the few-GeV energy region. Charged-current interactions with a muon and one single charged pion in the final state (CC1$\pi$) are primarily sensitive to resonant processes, while also receiving contributions from non-resonant processes and being strongly affected by nuclear effects and final-state interactions. A precise understanding of this channel is essential for improving neutrino interaction models and reducing systematic uncertainties in oscillation measurements. The Short-Baseline Near Detector (SBND) at Fermilab has collected the largest neutrino–argon dataset to date, providing an excellent opportunity to study CC1$\pi$ interactions on argon. This analysis aims to improve existing single-differential cross-section measurements by reporting results in a variety of kinematic variables and to perform the first double-differential CC1$\pi$ cross-section measurement on argon, using novel techniques for pion energy reconstruction.

Pelegrina-Gutiérrez, Luis [Granada U.] (ORCID:0000↗

Study of CC2p0$\pi$ Event Topologies in the MicroBooNE Detector

The precise measurement of neutrino oscillation parameters is a critical component of understanding neutrino oscillations. As future accelerator neutrino experiments will utilize 40 Ar as the target nucleus it is important to understand the influence that nuclear effects have on neutrino-nucleon cross-sections. Processes that lead to 2 particle-2 hole (2p2h) states are of particular interest, such as Meson Exchange Currents (MEC) and Short Range Nucleon-Nucleon Correlations. In the MicroBooNE detector, a charged-current interaction that produced a 2p2h state would create a 3 track topology with 1 muon and 2 protons connected to a single interaction vertex (CC2p0$\pi$). We present here a study of MicroBooNE’s potential sensitivity to a variety of MEC models as well as CC2p0$\pi$ events selected from a combination of data collected from the first 3 years of running of the MicroBooNE experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Cryo-EM Visualization of Intermolecular π-Electron Interactions within π-Conjugated Peptidic Supramolecular Polymers

The self-assembly of “π-peptides” – molecules with π-electron cores substituted with two or more oligopeptide chains – brings organic electronic function into biologically relevant nanomaterials. π-Peptides assemble into fibrillar nanomaterials as driven by enthalpic peptide-based hydrogen bonding networks and pi-core-based quadrupolar interactions. A large body of spectroscopic, morphological and computational studies informs on the nature of the self-assembly process and the resulting nanostructures, but detailed structural information has remained elusive. Here, inspired by the recent use of cryogenic electron microscopy (cryo-EM) to provide high-resolution structures for synthetic peptide nanomaterials, we present here the use of cryo-EM to offer ca. 3 Å resolution of π-peptide nanomaterial assemblies, visualizing for the first time the nature of the intermolecular π-core electronic interactions responsible for energy transport through these supramolecular materials.

Group theory↗

Toward Hydrogen Isotope Separations through Strong Hydrogen Adsorption at Open Copper(I) Sites in an Ultramicroporous Metal-Organic Framework

Metal-organic frameworks with coordinatively unsaturated metal sites (open metal sites) capable of engaging in orbital interactions with pi-acidic gases are of interest for enabling ambient-temperature gas separations, such as hydrogen isotope separations. In view of the weakly pi-acidic nature of H2, we sought to strengthen pi-backbonding-mediated H2 adsorption through pore confinement effects. Toward that end, we synthesized and characterized the ultramicroporous metal-organic framework CuxZn5-xCl4-yHz(bbta)3 (CuIZn-MFU-4; H2bbta = 1H,5H-benzo(1,2-d:4,5-d')bistriazole), featuring pi-basic trigonal pyramidal CuI sites that reside within 7 A of one another at their closest. Gas adsorption measurements reveal an H2 adsorption enthalpy of -38 kJ/mol, exceeding that of the larger-pore analog (CuIZn-MFU-4l; -33 kJ/mol) and representing the strongest H2 adsorption yet achieved in a metal-organic framework. The stronger H2 adsorption in CuIZn-MFU-4 is attributed to a combination of pore confinement effects and the increased ..sigma..-accepting nature of the CuI sites caused by a more electron-withdrawing bbta2- linker, as supported by structural, spectroscopic, and computational evidence. With the strongest H2 adsorption, equilibrium isotope effects in CuIZn-MFU-4 lead to a D2/H2 selectivity (as estimated by ideal adsorbed solution theory) of 1.35 even at 298 K, approaching the values reported below 200 K for conventional porous materials.

08 HYDROGEN↗

Laboratory Investigations of Aerosol-Cloud Interactions in an Entraining, Turbulent Environment (Final Technical Report)

The effects that aerosol particles have on clouds in Earth’s atmosphere and the role that clouds play in determining the fate of aerosol particles play a crucial role in determining the human experience on this planet. These interwoven interactions can determine whether it rains or snows, is comfortable, hot or cold, or whether the cloud you gaze at in the sky looks like a tiger or a lump of porridge. How clouds mix with the air surrounding them, a process known as entrainment, further affects these processes. We conducted laboratory experiments of aerosol-cloud interactions in a setting in which we can measure the effects of entrainment – the first laboratory experiments since the pioneering work of Latham and Reed in 1977. We measured the effects of entrainment on aerosol-cloud interactions in the Pi Chamber and also used a state-of-the-art large eddy simulation (LES) to investigate processes in fine detail.

54 ENVIRONMENTAL SCIENCES↗

A theoretical formulation of wave-vortex interactions

A unified theoretical formulation for wave-vortex interaction, designated the '(omega, Pi) framework,' is presented. Based on the orthogonal decomposition of fluid dynamic interactions, the formulation can be used to study a variety of problems, including the interaction of a longitudinal (acoustic) wave and/or transverse (vortical) wave with a main vortex flow. Moreover, the formulation permits a unified treatment of wave-vortex interaction at various approximate levels, where the normal 'piston' process and tangential 'rubbing' process can be approximated dfferently.

Wu, J. Z.↗

Solar Array Arcing in LEO How Much Charge is Discharged?

It is often said that only the solar array or spacecraft surface that can be reached by an arc plume are discharged in a solar array arc in LEO (Low Earth Orbit). We present definitive results from ground test experiments done in the National Plasma Interactions (N-PI) facility at the NASA Glenn Research Center that this idea is mistaken. All structure surfaces in contact with the surrounding plasma and connected to spacecraft ground are discharged, whether the arc plasma can reach them or not. Implications from the strength and damaging effects of areas on LEO spacecraft are discussed, and mitigation techniques are proposed.

Ferguson, D. C.↗

Experimental Results of Thin-Film Photovoltaic Cells in a Low Density LEO Plasma Environment: Ground Tests

Plasma ground testing results, conducted at the Glenn Research Center (GRC) National Plasma Interaction (N-PI) Facility, are presented for a number of thin-film photovoltaic cells. The cells represent a mix of promising new technologies identified by the Air Force Research Laboratory (AFRL) under the CYGNUS Space Science Technology Experiment (SSTE-4) Program. The current ground tests are aimed at characterizing the performance and survivability of thin film technologies in the harsh low earth orbital space environment where they will be flown. Measurements of parasitic current loss, charging/dielectric breakdown of cover-slide coatings and arcing threshold tests are performed for each individual cell. These measurements are followed by a series of experiments designed to test for catastrophic arc failure mechanisms. A special type of power supply, called a solar array simulator (SAS) with adjustable voltage and current limits on the supply s output, is employed to bias two adjacent cells at a predetermined voltage and current. The bias voltage is incrementally ramped up until a sustained arc results. Sustained arcs are precursors to catastrophic arc failure where the arc current rises to a maximum value for long timescales often ranging between 30 to 100 sec times. Normal arcs by comparison, are short lived events with a timescale between 10 to 30 sec. Sustained arcs lead to pyrolization with extreme cell damage and have been shown to cause the loss of entire array strings in solar arrays. The collected data will be used to evaluate the suitability of thin-film photovoltaic technologies for future space operations.

Galofaro, Joel T.↗

Gamma rays, cosmic rays, and galactic structure

Observations of cosmic and gamma radiation by SAS-2 satellite are summarized and analyzed to determine processes responsible for producing observed galactic radiation. In addition to the production of gamma rays in discrete galactic objects such as pulsars, there are three main mechanisms by which high-energy (greater than 100 MeV) radiation is produced by high-energy interactions involving cosmic rays in interstellar space. These processes, which produce what may be called diffuse galactic gamma-rays, are: (1) the decay of pi mesons produced by interactions of cosmic ray nucleons with interstellar gas nuclei; (2) the bremsstrahlung radiation produced by cosmic ray electrons interacting in the Coulomb fields of nuclei of interstellar gas atoms; and (3) Compton interactions between cosmic ray electrons and low-energy photons in interstellar space.

Stecker, F. W.↗

Experiments to be flown in an Earth orbiting laboratory: The US experiments on the first international microgravity laboratory, from concept to flight

The current life cycle of NASA ARC-managed flight experiments is presented. The two main purposes are: (1) to bring to the attention of biologists, and in particular cell and plant biologists, some of the requirements for flying a life science experiment in space; and (2) to introduce the subject to biologists embarking on studies in the field and to delineate some of the specific requirements that will be encountered by an ARC-managed microgravity experiment. This is not intended to be an exhaustive encyclopedia of all techniques used to prepare an experiment to evaluate the effect of microgravity on plant and animal cells. However, many of the requirements are the same for all biological systems and for other NASA centers. Emphasis is on the principle investigator's (PI's) involvement in the activities required for successful completion of major reviews. The PI support required for activities other than these reviews is also discussed, as are the interactions between ARC and the PI that will be required as problems or questions arise throughout experiment and payload development. It is impossible to predict the extent of this activity because it varies according to the complexity of the experiment and the flight experience of the PI.

Winget, C. M.↗

Transverse Kinematic Imbalance in MicroBooNE's New nue CC0pi Measurements

Neutrino-nucleus cross section measurements require accurate modelling of neutrino interactions. Neutrino beams are not monoenergetic, and the energy of each interaction must instead be modelled using nuclear interaction assumptions. This introduces significant systematic uncertainty into cross section measurements. Effects such as Fermi motion, nuclear correlations, and final-state interactions (FSI) smear the underlying quasi-elastic scattering signal, making it difficult to disentangle genuine quasi-elastic kinematics from nuclear effects across the full range of interaction channels (QE, MEC, RES, DIS) probed in these measurements. Transverse Kinematic Imbalance (TKI) variables, such as $\delta p_T$ and $\delta \alpha_T$, probe this same phase space by exploiting the fact that the incoming neutrino has zero transverse momentum ($\vec{p}_T^{\,\nu} = 0$). Any measured transverse imbalance in the final state therefore arises from nuclear effects rather than from uncertainty in the incident neutrino energy, allowing cross section measurements to select a phase space that is rich in quasi-elastic-like events with minimal contamination from FSI and other nuclear effects, independent of energy reconstruction. Recent unfolded MicroBooNE cross section measurements of electron-neutrino charged-current interactions with zero pions and at least one proton ($\nu_e$ CC0$\pi$, 1eNp0$\pi$) show that several leading nuclear interaction generators (including GENIE variants, NuWro, GiBUU, and NEUT) reproduce the differential cross section in electron energy reasonably well, but consistently struggle to describe the differential cross section in the cosine of the leading proton's angle, yielding lower $p$-values across all seven generators tested. This tension points to a more fundamental, kinematics-driven disagreement between data and generators that is not visible in energy-only cross section observables. This is precisely the regime TKI variables are designed to probe. Following previous TKI cross section measurements with muon-neutrino data in MicroBooNE, this poster presents the case for extending the TKI framework to electron-neutrino cross section measurements as a next step to isolate and characterize the source of the observed generator tension in proton kinematics.

Burridge, Jessica [U. Manchester (main)] (ORCID:00↗

Cross Section Results from the MicroBooNE Experiment

The MicroBooNE detector is currently the largest operating liquid argon neutrino experiment in the world. Located at the Fermi National Accelerator Laboratory (Fermilab), MicroBooNE has been collecting both electron neutrino (\(\nu _{e}\)) and muon neutrino (\(\nu _{\mu }\)) interactions from both the Booster Neutrino Beam (BNB) and the Neutrino Main Injector (NuMI) since late 2015. During this time, MicroBooNE has measured a wide-variety of interaction topologies including \(\nu _{\mu }\) charged current, \(\nu _{e}\) charged current, resonant \(\pi ^{0}\), and various high multiplicity interactions. To date, many of MicroBooNE’s measurements are either the first of their kind using liquid argon as a target material, or have the largest number of events collected using a liquid argon detector. All of these measurements combine to form a rich cross section programme, aiming to enhance understanding of GeV-range neutrino interaction on liquid argon for upcoming detectors such as SBND, ICARUS, and DUNE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗