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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 181 records · Page 10

Electronic growth of Pd(111) nanostructures on MoS 2

Quantum confinement effects can induce the formation of discrete nanostructures with well-defined preferred heights in thin metallic films. In most systems, such electronic growth modes are weak and limited to cryogenic conditions. Recently, however, we have discovered that metals grown upon van der Waals surfaces can exhibit electronic growth at, or even above, room temperature to spontaneously form well-defined and highly stable nanostructures. Here, we explore the initial stages of room temperature deposition of Pd onto MoS 2 . We found that, even for minimal thicknesses, Pd spontaneously formed discrete islands with three atomic layers. The islands maintained this preferred height for nominal coverages below three atomic layers. At higher coverages, the preferred height switched abruptly to six atomic layers. Unlike previous studies using Au or Ag, the islands did not increase laterally with coverage but rather increased in number with lateral size remaining about the same. The preferred heights in Pd/MoS 2 correlate to the Pd Fermi surface topography and are also consistent with thicknesses showing minima in the density of states at the Fermi level, which suggest that the electronic growth modes are the driving factors in these self-assembled Pd nanostructures. The Pd system shows a preference for island nucleation compared to Au and Ag which grow laterally with increasing coverage. Furthermore, this is likely related to differences in bonding at the interface as Pd is typically much more reactive than Ag or Au.

36 MATERIALS SCIENCE↗

Dynamical Enhancement of Symmetries in Many-Body Systems

We construct a dynamical decoupling protocol for accurately generating local and global symmetries in general many-body systems. Multiple commuting and noncommuting symmetries can be created by means of a self-similar-in-time ("polyfractal") drive. The result is an effective Floquet Hamiltonian that remains local and avoids heating over exponentially long times. This approach can be used to realize a wide variety of quantum models, and nonequilibrium quantum phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Single-mode laser studies: Design and performance of a fixed-wave length source and coupling of lasers to thin-film optical waveguides

A module developed for the generation of a stable single wavelength to be used for a fiber optic multiplexing scheme is described. The laser is driven with RZ pulses, and the temperature is stabilized thermoelectrically. The unit is capable of maintaining a fixed wavelength within about 6 A as the pulse duty cycle is changed between 0 and 100 percent. This is considered the most severe case, and much tighter tolerances are obtainable for constant input power coding schemes. Using a constricted double heterostructure laser, a wavelength shift of 0.083 A mA is obtained due to laser self-heating by a dc driving current. The thermoelectric unit is capable of maintaining a constant laser heat-sink temperature within 0.02 C. In addition, miniature lenses and couplers are described which allow efficient coupling of single wavelength modes of junction lasers to thin film optical waveguides. The design of the miniature cylinder lenses and the prism coupling techniques allow 2 mW of single wavelength mode junction laser light to b coupled into thin film waveguides using compact assemblies. Selective grating couplers are also studied.

Ladany, I.↗

Reduction of Background Noise in the NASA Ames 40- by 80-Foot Wind Tunnel

Background noise in both open-jet and closed wind tunnels adversely affects the signal-to-noise ratio of acoustic measurements. To measure the noise of increasingly quieter aircraft models, the background noise will have to be reduced by physical means or through signal processing. In a closed wind tunnel, such as the NASA Ames 40- by 80- Foot Wind Tunnel, the principle background noise sources can be classified as: (1) fan drive noise; (2) microphone self-noise; (3) aerodynamically induced noise from test-dependent hardware such as model struts and junctions; and (4) noise from the test section walls and vane set. This paper describes the steps taken to minimize the influence of each of these background noise sources in the 40 x 80.

Jaeger, Stephen M.↗

Logistics Reduction: RFID Enabled Autonomous Logistics Management (REALM) (LR-REALM)

The Advanced Exploration Systems (AES) Logistics Reduction (LR) project Radio-frequency identification (RFID) Enabled Autonomous Logistics Management (REALM) task focuses on the subset of autonomous logistics management functions pertaining to automated localization and inventory of all physical assets pertaining to, or within, a vehicle utilizing RFID technologies. REALM technology can provide detailed data to enable autonomous operations such as automated crew procedure generation and robotic interaction with logistics and deep space habitats; this is especially of value where communication delays with Earth drive the need for self-reliance. The REALM project will conduct a series of ISS technology demonstrations. The first ISS demonstration, REALM-1, started in February 2017 and was completed at the end of FY19 when it was transitioned to the ISS program for sustaining operations. The second ISS demonstration, REALM-2, started late2019 and will continue for at least one year.

NASA TechPort↗

The advanced tokamak path to a compact net electric fusion pilot plant

Abstract Physics-based simulations project a compact net electric fusion pilot plant with a nuclear testing mission is possible at modest scale based on the advanced tokamak concept, and identify key parameters for its optimization. These utilize a new integrated 1.5D core-edge approach for whole device modeling to predict performance by self-consistently applying transport, pedestal and current drive models to converge fully non-inductive stationary solutions, predicting profiles and energy confinement for a given density. This physics-based approach leads to new insights and understanding of reactor optimization. In particular, the levering role of high plasma density is identified, which raises fusion performance and self-driven ‘bootstrap currents’, to reduce current drive demands and enable high pressure with net electricity at a compact scale. Solutions at 6–7 T, ∼4 m radius and 200 MW net electricity are identified with margins and trade-offs possible between parameters. Current drive comes from neutral beam and ultra-high harmonic (helicon) fast wave, though other advanced approaches are not ruled out. The resulting low recirculating power in a double null configuration leads to a divertor heat flux challenge that is comparable to ITER, though reactor solutions may require more dissipation. Strong H-mode access (x2 margin over L–H transition scalings) and ITER-like heat fluxes are maintained with ∼20%–60% core radiation, though effects on confinement need further analysis. Neutron wall loadings appear tolerable. The approach would benefit from high temperature superconductors, as higher fields would increase performance margins while potential for demountability may facilitate nuclear testing. However, solutions are possible with conventional superconductors. An advanced load sharing and reactive bucking approach in the device centerpost region provides improved mechanical stress handling. The prospect of an affordable test device which could close the loop on net-electric production and conduct essential nuclear materials and breeding research is compelling, motivating research to validate the techniques and models employed here.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Complexation Properties of Self-Defensive Microgel-Modified Antimicrobial Surfaces

The complexation of cationic antimicrobials with polyanionic microgels on a biomaterial surface can render that surface self-defensive against bacteria by killing those bacteria which physically contact the antimicrobial-loaded microgels. This killing has been attributed to the contact-driven transfer of antimicrobial from a microgel to a challenging bacterium, though much remains unknown about this process. Here, in this study, we use a combination of experiments and computational modeling to identify key aspects of the complexation phenomena which influence the self-defensive properties. We synthesize poly(acrylic acid) (PAA) microgels (∼2–5 μm diameter) via membrane emulsification and electrostatically deposit them onto polycaprolactone (PCL) coupons or onto glass to form a discontinuous submonolayer. Subsequent microgel loading with colistin or with Sub5 antimicrobial peptide (AMP) causes microgel deswelling. Under physiological conditions Sub5 remains stably sequestered whereas colistin is quickly released. Coarse-grained molecular dynamics (CGMD) simulations confirm stronger Sub5/PAA complexation. CGMD calculations also indicate that Sub5 forms dimers and higher-order structures, a prediction confirmed experimentally by Small-Angle X-ray Scattering (SAXS). Supramolecular structure entropically enhances the complexation strength because of enhanced counterion release per complexation event, and this finding can help identify other antimicrobials well suited for such a nonelutive yet self-defensive strategy. CGMD simulations also show that Sub5 has a higher complexation strength with the Staphylococcus aureus membrane than it does with PAA, confirming that there is a thermodynamic driving force for antimicrobial transfer. Such self-defensive surfaces significantly reduce S. aureus colonization (over 90% reduction relative to unmodified controls) in an in vitro hematogenous contamination model and remain cyto-compatible as evidenced by mesenchymal stem cell spreading and proliferation.

36 MATERIALS SCIENCE↗

Bayesian batch optimization for molybdenum versus tungsten inertial confinement fusion double shell target design

Access to reliable, clean energy sources is a major concern for national security. Much research is focused on the “grand challenge” of producing energy via controlled fusion reactions in a laboratory setting. For fusion experiments, specifically inertial confinement fusion (ICF), to produce sufficient energy, the fusion reactions in the ICF fuel need to become self-sustaining and burn deuterium-tritium (DT) fuel efficiently. The recent record-breaking NIF ignition shot was able to achieve this goal as well as produce more energy than used to drive the experiment. This achievement brings self-sustaining fusion-based power systems closer than ever before, capable of providing humans with access to secure, renewable energy. In order to further progress toward the actualization of such power systems, more ICF experiments need to be conducted at large laser facilities such as the United States's National Ignition Facility (NIF) or France's Laser Mega-Joule. The high cost per shot and limited number of shots that are possible per year make it prohibitive to perform large numbers of experiments. As such, experimental design relies heavily on complex predictive physics simulations for high-fidelity “preshot” analysis. These multidimensional, multi-physics, high-fidelity simulations have to account for a variety of input parameters as well as modeling the extreme conditions (pressures and densities) present at ignition. Such simulations (especially in 3D) can become computationally prohibitive to turn around for each ICF experiment. In this work, we explore using Bayesian optimization with Gaussian processes (GPs) to find optimal designs for ICF double shell targets, while keeping computational costs to manageable levels. These double shell targets have an inner shell that grades from beryllium on the outer surface to the higher Z material molybdenum, as opposed to the nominally used tungsten, on the inside in order to trade off between the high performance associated with high density inner shells and capsule stability. We describe our results for “capsule-only” xRAGE simulations to study the physics between different capsule designs, inner shell materials, and potential for future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Formation of helices with controllable chirality in gel-fiber composites

While microscale helices with specified chirality are pervasive in biological systems, driving purely synthetic materials to self-organize into such useful structures remains a significant challenge. Through theory and simulations, we model the behavior of initially flat ribbons of gel-fiber composites and show that these materials self-organize into three-dimensional helices with the application of heat. We specifically focus on thermo-responsive gels, which shrink when heated to a point near the lower critical solubility temperature (LCST). Within the composite, regions of the LCST gel that lie far from the fibers can readily shrink in response to the increased temperature; however, near the fibers the network is inhibited from undergoing the heat-induced collapse. This competition between the constrained and the unconstrained regions of the heated sample plays a vital role in the structural evolution of the material. Additionally, we find that this dynamic process can be controlled through the careful placement of the fibers on the outer surface of the gel. We specifically identify fiber arrangements that lead to the formation of helical structures with controlled chirality. Moreover, we isolate scenarios where constraining the movement of one or both the free ends of the sample promotes and stabilizes the formation of helical structures with specified handedness. Such structurally tailored composites are useful for creating mechanically robust actuators, and “appendages” for soft robots that can controllably curl and uncurl with variations in temperature.

36 MATERIALS SCIENCE↗

Hierarchical Materials from High Information Content Macromolecular Building Blocks: Construction, Dynamic Interventions, and Prediction

Hierarchical materials that exhibit order over multiple length scales are ubiquitous in nature. Because hierarchy gives rise to unique properties and functions, many have sought inspiration from nature when designing and fabricating hierarchical matter. More and more, however, nature’s own high-information content building blocks, proteins, peptides, and peptidomimetics, are being coopted to build hierarchy because the information that determines structure, function, and interfacial interactions can be readily encoded in these versatile macromolecules. Here, we take stock of recent progress in the rational design and characterization of hierarchical materials produced from high-information content blocks with a focus on stimuli-responsive and “smart” architectures. We also review advances in the use of computational simulations and data-driven predictions to shed light on how the side chain chemistry and conformational flexibility of macromolecular blocks drive the emergence of order and the acquisition of hierarchy and also on how ionic, solvent, and surface effects influence the outcomes of assembly. Furthermore, continued progress in the above areas will ultimately usher in an era where an understanding of designed interactions, surface effects, and solution conditions can be harnessed to achieve predictive materials synthesis across scale and drive emergent phenomena in the self-assembly and reconfiguration of high-information content building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Amphiphilic Baskets for Supramolecular Nanoarchitectures at Interfaces: Inverted Monolayer Formation on Water

Interfacial chemistry of molecular baskets remains poorly understood despite their promise for supramolecular applications of detection and sequestration of toxic molecules including those of illicit drugs, organophosphorus compounds, and anticancer agents. We present a fundamental investigation of the interfacial behavior of three amphiphilic supramolecular baskets (ASB 4, 8, and 12), having increasingly longer yet linear alkyl chains at the top of their bowl-shaped cavity. The studies were completed at the air−water interface to elucidate surface activity, interfacial stability, self-assembly, and monolayer organization that drive inverted monolayer formation, in which the molecular arms orient toward the aqueous phase in a configuration opposite to that typically observed for lipids. Herein, surface pressure−area isotherms of ASB 4, 8, 12, deposited on a water surface, were performed in tandem with nonequilibrium relaxation experiments to quantify surface activity, thermodynamic stability, and monolayer compressibility of the baskets’ monolayer assembly. Brewster angle microscopy enabled direct visualization of morphological evolution, aggregation, and packing at the interface. We show that systematic extension of the hydrocarbon arms, from four to 12 methylene groups, progressively modifies intermolecular packing, drives distinct two-dimensional aggregation pathways, and increases number densities at the air−water interface. Atomistic molecular dynamics simulations corroborate many of these experimentally observed trends and provide mechanistic detail on the cooperative roles of basket topology and interfacial concentration in regulating the hydration structure and dynamics within the cavities generated by surface-adsorbing baskets, consistent with observed variations in surface activity and packing. Our results establish how the topology of these unique supramolecules and their concentration govern interfacial organization and offer a rational framework for designing amphiphiles with predictable behavior at soft interfaces.

Hydrocarbons↗

Identification and Catalysis of the Potential-Limiting Step in Lithium-Sulfur Batteries

The Li-S chemistry is thermodynamically promising for high-density energy storage but kinetically challenging. Over the past few years, many catalyst materials have been developed to improve the performance of Li-S batteries and their catalytic role has been increasingly accepted. However, the classic catalytic behavior, i.e., reduction of reaction barrier, has not been clearly observed. Crucial mechanistic questions, including what specific step is limiting the reaction rate, whether/how it can be catalyzed, and how the catalysis is sustained after the catalyst surface is covered by solid products, remain unanswered. Herein, we report the first identification of the potential-limiting step of Li-S batteries operating under lean electrolyte conditions and its catalysis that conforms to classic catalysis principles, where the catalyst lowers the kinetic barrier of the potential-limiting step and accelerates the reaction without affecting the product composition. After carefully examining the electrochemistry under lean electrolyte conditions, we update the pathway of the Li-S battery reaction: S 8 solid is first reduced to Li 2 S 8 and Li 2 S 4 molecular species sequentially; the following reduction of Li 2 S 4 to a Li 2 S 2 -Li 2 S solid with an almost constant ratio of 1:4 is the potential-limiting step; the previously believed Li 2 S 2 -to-Li 2 S solid-solid conversion does not occur; the recharging reaction is relatively fast. We further demonstrate that supported cobalt phthalocyanine molecules can effectively catalyze the potential-limiting step. After Li 2 S 2 /Li 2 S buries the active sites, it can self-catalyze the reaction and continue driving the discharging process.

25 ENERGY STORAGE↗

Lanthanide Separations through Helicate Self-Assembly

Skyrocketing demand for rare-earth elements makes their isolation and reuse from electronic waste an increasingly attractive alternative to mining. Typically, the capture of individual lanthanides from mixtures requires the iterative design of complex, macrocyclic ligands, a sometimes successful but often laborious process. Here we show that the self-assembly of rare-earth ions with a ditopic ligand, L d , results in the selective incorporation of smaller lanthanides and gives rise to impressive separation factors. Comparison to a monotopic ligand, L m , shows that the separation performance of ditopic L d critically depends on the presence of two adjacent binding sites. Isothermal titration calorimetry (ITC) experiments show that the selectivity of L d for smaller ions is thermodynamically driven and provide evidence of positive cooperativity among the two binding sites of L d . The simplicity of the separation procedure reported here, requiring only 1 min of sonication in methanol, shows the potential applicability of this approach to real-world separations. Here, by achieving efficient rare-earth separations in small, synthetically facile helicates, this work shows the promise of self-assembly as a mechanism to drive metal separations.

Alcohols↗

Prevention of Dual-Mode Excitation in 9-Cell Cavities for LCLSII-HE

Dual-Mode Excitation, also referred to as mode-mixing, is a superposition of two fundamental pi modes in an SRF cavity. In 9-cell TESLA cavities used for the LCLSII-HE project, the two modes that are commonly excited are the pi mode (1300.2 MHz), and the 7/9 pi mode (1297.8 MHz). During vertical cavity qualification testing, only the pi mode is driven by the RF system. However, at high gradients, emitted power at the frequency of the 7/9 pi mode grows despite the RF system only powering the pi mode. When this happens, the RF power measurement system is unable to differentiate between the superimposed modes, and any data taken is invalid. The previous method of dealing with mode-mixing was to turn off power to the cavity, let both modes decay fully, then restore power. Because of the time-sensitive nature of this testing, this leads to underestimates of Q0 or any radiant field emission present in the cavity. The novel RF control solution prevents the 7/9 pi mode from being excited while not interfering with measurements of the fundamental pi mode. A second RF control system is connected to the cavity which drives the 7/9 pi mode. The loop phase for driving the 7/9 pi mode in self excited loop mode is determined then shifted by 180 degrees, thus providing a negative feedback to the undesired mode. Because this off-resonance power can be very small, on the order of milliwatts, it does not interfere with the high-power measurements of the fundamental pi mode. At Jefferson Lab, we are now able to test a cavity for the LCLSII-HE project with no problems from mode-mixing, which allows for CW processing of high-gradient multipacting and field emission.

Owen, Peter↗

Integrated flight/propulsion control system architectures for a high speed aircraft

The present investigation is concerned with the impact of integrated flight, inlet, and engine control system architectures on system effectiveness and life cycle cost (LCC). The aircraft employed in the investigation is a modified YF-12 with a cruise Mach number of 2.5. The aircraft has two advanced technology aircraft JT-69 afterburning, low-bypass turbofan engines. Advanced technologies suitable for use in future flight/propulsion control systems are related to distributed computer networks, fault tolerant computers and software, analytical redundancy, self-checking microprocessor pairs, advanced direct drive actuators, fiber optic data buses, VLSI microcircuits, and skewed sensors. The integrated architectures were found to have fewer sensors, actuators, and power sources than the nonintegrated architectures.

Bangert, L. H.↗

Plasma sheet convection and the stability of the magnetotail

Particle simulations are used to investigate the effects of plasma sheet convection into regions of increasing tail lobe magnetic field strength on the stability of a magnetotail equilibrium. The self-consistent treatment of convection first drives B(z) to zero on axis in the region of the strongest lobe field B(x) and then causes the equilibrium to break due to the rapid growth of tearing modes driven by the induced temperature anisotropy. The net result is the evolution of the inward-convecting plasma sheet into a slowly moving or stagnant plasmoid. The time scale for this process is much more rapid than that associated with particle drift losses across the tail. These results support the suggestion that steady convection within the plasma sheet may not be possible.

Pritchett, P. L.↗