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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 289 records · Page 16

Layer-resolved ultrafast extreme ultraviolet measurement of hole transport in a Ni-TiO 2 -Si photoanode

Metal oxide semiconductor junctions are central to most electronic and optoelectronic devices, but ultrafast measurements of carrier transport have been limited to device-average measurements. Here, charge transport and recombination kinetics in each layer of a Ni-TiO 2 -Si junction is measured using the element specificity of broadband extreme ultraviolet (XUV) ultrafast pulses. After silicon photoexcitation, holes are inferred to transport from Si to Ni ballistically in ~100 fs, resulting in characteristic spectral shifts in the XUV edges. Meanwhile, the electrons remain on Si. After picoseconds, the transient hole population on Ni is observed to back-diffuse through the TiO 2 , shifting the Ti spectrum to a higher oxidation state, followed by electron-hole recombination at the Si-TiO 2 interface and in the Si bulk. Electrical properties, such as the hole diffusion constant in TiO 2 and the initial hole mobility in Si, are fit from these transient spectra and match well with values reported previously.

42 ENGINEERING↗

Designing a repository in domal salt: The influence of design variants in different modelling environments

To understand the long-term environmental impact of disposing radioactive waste of in a deep geological repository and to optimise its design, performance assessments are used. In this study, four teams (COVRA, GRS, Quintessa, and DOE) modified the previously developed generic repository of DECOVALEX task F2 to identify commonalities and differences between the teams for specific changes in repository design. The teams tested six design modifications: (1) Replacing concrete abutments with run-of-mine salt; (2) Replacing the salt seal with a concrete abutment and using run-of-mine salt instead for the two concrete abutments in each drift seal; (3) Halving the size of the infrastructure area; (4) Using run-of-mine salt instead of gravel for backfilling the infrastructure area; (5) Disposal of spent nuclear fuel without the POLLUX-10 containers (6); Lower initial saturation of the spent nuclear fuel and vitrified waste disposal drifts. Despite different modelling strategies used, models agreed that a smaller infrastructure area has a limited effect on radionuclide transport. Responses to the absence of the two concrete abutments in each seal, the use of single large concrete abutments (200 m each), or the use of run-of-mine salt in the infrastructure area differ between teams due to differing modelling assumptions. Based on these results, the estimated efficacy of containment depends strongly on the model assumptions of each team. More specifically, it appears to depend on the compaction model used and therefore on the backfill material used in different areas of the repository. However, the drift seal appears to be a critical design element in all models, effectively limiting radionuclide transport by hydrologically disconnecting sections of the repository. Additional beneficial design choices include the use of dry salt in disposal drifts to limit radionuclide transport and reducing the infrastructure area costs and minimizing host rock damage.

DECOVALEX↗

Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach

Abstract Charge transport in organic molecular crystals (OMCs) is conventionally categorized into two limiting regimes − band transport, characterized by weak electron-phonon (e-ph) interactions, and charge hopping due to localized polarons formed by strong e-ph interactions. However, between these two limiting cases there is a less well understood intermediate regime where polarons are present but transport does not occur via hopping. Here we show a many-body first-principles approach that can accurately predict the carrier mobility in this intermediate regime and shed light on its microscopic origin. Our approach combines a finite-temperature cumulant method to describe strong e-ph interactions with Green-Kubo transport calculations. We apply this parameter-free framework to naphthalene crystal, demonstrating electron mobility predictions within a factor of 1.5−2 of experiment between 100 and 300 K. Our analysis reveals the formation of a broad polaron satellite peak in the electron spectral function and the failure of the Boltzmann equation in the intermediate regime.

36 MATERIALS SCIENCE↗

Evaluating the efficacy of aluminide coatings to improve oxidation resistance of high performance engine valve alloys

Increasing peak cylinder pressures and operating temperatures of turbo-charged internal combustion engines (ICEs) engines present new challenges for existing materials employed in engine exhaust valves. Oxidation induced degradation of current Ni based alloys for these components will be a life-limiting mechanism while strict cost margins in the automotive transportation industry further limit the choice of suitable candidate materials. Metallic diffusion aluminide coatings can provide a cost-effective way to improve the oxidation resistance of underlying materials. In this study, the high temperature oxidation behavior of diffusion nickel aluminide coatings on two Ni based alloys (commercially available alloy 31V and a developmental alloy) during cyclic oxidation behavior in air+10% H 2 O at 900 °C was investigated. A complete depletion of the beneficial Al-rich β-(NiFe)Al phase was observed in the coating on alloy 31V while a significant fraction of this phase was retained in the coating on the second alloy. A coupled thermodynamic-kinetic model showed that the disappearance of the Al-rich phase in the coating on 31V was mainly due to the combined effect of steeper chemical potential gradients of Al and Ti between the coating and the substrate and their faster diffusivities compared to the coated developmental alloy. Finally, a higher content of Fe was shown to support the retention of β-(NiFe)Al phase in the coating on the developmental alloy while the presence of Ti in the alloy was shown to be detrimental for long-term coating performance.

36 MATERIALS SCIENCE↗

Nonmonotonic crossover in electronic phase separated manganite superlattices driven by the superlattice period

Studying manganite superlattices [(LCMO) 2n / (PCMO) n ] t made of La 0.625 Ca 0.375 MnO 3 (LCMO) and Pr 0.625 Ca 0.375 MnO 3 (PCMO), we found an unexpected behavior varying the period n. At small n, the ensemble is a three-dimensional ferromagnetic metal due to interfacial charge transfer. At large n , the LCMO layers dominate transport. However, rather than a smooth interpolation between these limits a sharp transport and magnetic anomaly is found at an intermediate critical PCMO thickness n*. Magnetic force microscopy reveals that the phase-separation length scale also maximizes at n* where, unexpectedly, it becomes comparable to that of the (La 1-y Pr y ) 0.625 Ca 0.375 MnO 3 (LPCMO) alloy. Finally, we conjecture the phenomenon originates in a disorder-related length scale: Large charge-ordered clusters as in LPCMO can only nucleate when Pr-rich regions reach a critical size related to n*.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Large Payload Transportation and Test Considerations

Ironically, the limiting factor to a national heavy lift strategy may not be the rocket technology needed to throw a heavy payload, but rather the terrestrial infrastructure - roads, bridges, airframes, and buildings - necessary to transport, acceptance test, and process large spacecraft. Failure to carefully consider how large spacecraft are designed, and where they are manufactured, tested, or launched, could result in unforeseen cost to modify/develop infrastructure, or incur additional risk due to increased handling or elimination of key verifications. During test and verification planning for the Altair project, a number of transportation and test issues related to the large payload diameter were identified. Although the entire Constellation Program - including Altair - was canceled in the 2011 NASA budget, issues identified by the Altair project serve as important lessons learned for future payloads that may be developed to support national "heavy lift" strategies. A feasibility study performed by the Constellation Ground Operations (CxGO) project found that neither the Altair Ascent nor Descent Stage would fit inside available transportation aircraft. Ground transportation of a payload this large over extended distances is generally not permitted by most states, so overland transportation alone would not have been an option. Limited ground transportation to the nearest waterway may be permitted, but water transportation could take as long as 66 days per production unit, depending on point of origin and acceptance test facility; transportation from the western United States would require transit through the Panama Canal to access the Kennedy Space Center launch site. Large payloads also pose acceptance test and ground processing challenges. Although propulsion, mechanical vibration, and reverberant acoustic test facilities at NASA s Plum Brook Station have been designed to accommodate large spacecraft, special handling and test work-arounds may be necessary, which could increase cost, schedule, and technical risk. Once at the launch site, there are no facilities currently capable of accommodating the combination of large payload size and hazardous processing (which includes hypergolic fuels, pyrotechnic devices, and high pressure gasses).

Rucker, Michelle A.↗

Flow resistance of phloem sieve plates revisited using an experimental model

Sieve plate resistance has been identified as the key to understanding the efficiency of phloem transport of carbohydrates in trees. These plates with small holes connecting sieve tubes are responsible for the largest resistance to flow in the phloem. Their structure determines how fast sugars can be transported through the phloem with certain pressure differences and what the limits for phloem transport in different plants are. Because experiments with the phloem are very challenging, our understanding of sieve plate resistance is mostly based on anatomical studies and hydrodynamic modeling of flow through sieve plates. These models calculate the resistance of the entire sieve tube–sieve plate system using the Hagen–Poiseuille flow resistance for the sieve cell lumen and a combination of the Hagen–Poiseuille resistance and Sampson flow resistance through the sieve pores. The resistance of the entire sieve plate is calculated by summing the Hagen–Poiseuille and Sampson flow resistances of each pore. To test the validity of this model formulation, an experimental model with aspect parameters similar to phloem sieve tubes was built using polyvinyl chloride (PVC) piping and plastic straws of different diameters and lengths. This system was used to measure flow rates and calculate flow resistance at Reynolds numbers 0.5–300. The results suggest that the current models may significantly overestimate the flow resistance caused by sieve plates and that the resistance might be better described by formulations used for perforated plates.

54 ENVIRONMENTAL SCIENCES↗

Understanding water management in platinum group metal-free electrodes using neutron imaging

Platinum group metal-free (PGM-free) catalysts are a low-cost alternative to expensive PGM catalysts for polymer electrolyte fuel cells. However, due to the low volumetric activity of PGM-free catalysts, the catalyst layer thickness of the PGM-free catalyst electrode is an order of magnitude higher than PGM based electrodes. The thick PGM-free electrodes suffer from increased transport resistance and poor water management, which ultimately limits the fuel cell performance. This manuscript presents the study of water management in the PGM-free electrodes to understand the transport limitations and improve fuel cell performance. Here, in-operando neutron imaging is performed to estimate the water content in different components across the fuel cell thickness. Water saturation in thick PGM electrodes, with similar catalyst layer thickness to PGM-free electrodes, is lower than in the PGM-free electrodes irrespective of the operating conditions, due to high water retention by PGM-free catalysts. Improvements in fuel cell performance are accomplished by enhancing water removal from the flooded PGM-free electrode in three ways: (i) enhanced water removal with a novel microporous layer with hydrophilic pathways incorporated through hydrophilic additives, (ii) water removal through anode via novel GDL in the anode, and (iii) lower water saturation in PGM-free electrode structures with increased catalyst porosity.

25 ENERGY STORAGE↗

Design and Application of the Exploration Maintainability Analysis Tool

Conducting human exploration missions beyond Low Earth Orbit (LEO) will present unique challenges in the areas of supportability and maintainability. The durations of proposed missions can be relatively long and re-supply of logistics, including maintenance and repair items, will be limited or non-existent. In addition, mass and volume constraints in the transportation system will limit the total amount of logistics that can be flown along with the crew. These constraints will require that new strategies be developed with regards to how spacecraft systems are designed and maintained. NASA is currently developing Design Reference Missions (DRMs) as an initial step in defining future human missions. These DRMs establish destinations and concepts of operation for future missions, and begin to define technology and capability requirements. Because of the unique supportability challenges, historical supportability data and models are not directly applicable for establishing requirements for beyond LEO missions. However, supportability requirements could have a major impact on the development of the DRMs. The mass, volume, and crew resources required to support the mission could all be first order drivers in the design of missions, elements, and operations. Therefore, there is a need for enhanced analysis capabilities to more accurately establish mass, volume, and time requirements for supporting beyond LEO missions. Additionally, as new technologies and operations are proposed to reduce these requirements, it is necessary to have accurate tools to evaluate the efficacy of those approaches. In order to improve the analysis of supportability requirements for beyond LEO missions, the Space Missions Analysis Branch at the NASA Langley Research Center is developing the Exploration Maintainability Analysis Tool (EMAT). This tool is a probabilistic simulator that evaluates the need for repair and maintenance activities during space missions and the logistics and crew requirements to support those activities. Using a Monte Carlo approach, the tool simulates potential failures in defined systems, based on established component reliabilities, and then evaluates the capability of the crew to repair those failures given a defined store of spares and maintenance items. Statistical analysis of Monte Carlo runs provides probabilistic estimates of overall mission safety and reliability. This paper will describe the operation of the EMAT, including historical data sources used to populate the model, simulation processes, and outputs. Analysis results are provided for a candidate exploration system, including baseline estimates of required sparing mass and volume. Sensitivity analysis regarding the effectiveness of proposed strategies to reduce mass and volume requirements and improve mission reliability is included in these results.

Stromgren, Chel↗

Determining all thermodynamic transport coefficients for an interacting large N quantum field theory

Thermodynamic transport coefficients can be calculated directly from quantum field theory without requiring analytic continuation to real time. We determine all second-order thermodynamic transport coefficients for the uncharged N-component massless (critical) scalar field theory with quartic interaction in the large N limit, for any value of the coupling. We find that in the large N limit, all thermodynamic transport coefficients for the interacting theory can be expressed analytically in terms of the in-medium mass and sums over modified Bessel functions. We expect our technique to allow a similar determination of all thermodynamic transport coefficients for all theories that are solvable in the large N limit, including certain gauge theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Passivation‐Induced Species Dynamics and Microstructural Evolution in Solid‐State Lithium–Sulfur Cathodes

Solid-state lithium–sulfur (SSLS) batteries offer high theoretical energy density, yet their practical viability is hindered by poor sulfur utilization and limited rechargeability. At the core of this challenge lies the passivating nature of Li 2 S, which restricts ionic and electronic transport, suppresses interfacial activity, and severely impedes the reversibility of electrochemical reactions. In this study, we elucidate the mechanistic origins of these limitations by resolving how charge and discharge species form, grow, and spatially evolve within the cathode microstructure under varied current densities and electrode compositions. By resolving the species distribution at the particle scale and coupling it with Raman spectroscopy and X-ray diffraction, we demonstrate how Li 2 S formation induces localized surface passivation that progressively limits electrochemical accessibility within the cathode microstructure. Sulfur utilization is found to be strongly governed by the interplay between sulfur loading, residual porosity, and interfacial architecture. High sulfur contents result in buried, electrochemically isolated domains due to poor solid electrolyte (SE) percolation, while low sulfur contents trigger SE degradation via parasitic reactions. The resulting sulfur-porosity maps delineate the mechanistic boundaries between reversible and transport-limited regimes, offering actionable design guidance for SSLS cathodes with enhanced sulfur utilization.

electrode microstructure↗

Elements of H-mode pedestal structure

Abstract This paper reviews current understanding of key physics elements that control the H-mode pedestal structure, which exists at the boundary of magnetically confined plasmas. The structure of interest is the width, height and gradient of temperature, density and pressure profiles in the pedestal. Emphasis is placed on understanding obtained from combined experimental, theoretical and simulation work and on results observed on multiple machines. Pedestal profiles are determined by the self-consistent interaction of sources, transport and magnetohydrodynamic limits. The heat source is primarily from heat deposited in the core and flowing to the pedestal. This source is computed from modeling of experimental data and is generally well understood. Neutrals at the periphery of the plasma provide the dominant particle source in current machines. This source has a complex spatial structure, is very difficult to measure and is poorly understood. For typical H-mode operation, the achievable pedestal pressure is limited by repetitive, transient magnetohydrodynamic instabilities. First principles models of peeling–ballooning modes are generally able to explain the observed limits. In some regimes, instability occurs below the predicted limits and these remain unexplained. Several mechanisms have been identified as plausible sources of heat transport. These include neoclassical processes for ion heat transport and several turbulent processes, driven by the steep pedestal gradients, as sources of electron and ion heat transport. Reduced models have successfully predicted the pedestal or density at the pedestal top. Firming up understanding of heat and particle transport remains a primary challenge for developing more complete predictive pedestal models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Defects vibrations engineering for enhancing interfacial thermal transport in polymer composites

To push upper boundaries of thermal conductivity in polymer composites, understanding of thermal transport mechanisms is crucial. Despite extensive simulations, systematic experimental investigation on thermal transport in polymer composites is limited. To better understand thermal transport processes, we design polymer composites with perfect fillers (graphite) and defective fillers (graphite oxide), using polyvinyl alcohol (PVA) as a matrix model. Measured thermal conductivities of ~1.38 ± 0.22 W m -1 K -1 in PVA/defective filler composites is higher than those of ~0.86 ± 0.21 W m -1 K -1 in PVA/perfect filler composites, while measured thermal conductivities in defective fillers are lower than those of perfect fillers. We identify how thermal transport occurs across heterogeneous interfaces. Thermal transport measurements, neutron scattering, quantum mechanical modeling, and molecular dynamics simulations reveal that vibrational coupling between PVA and defective fillers at PVA/filler interfaces enhances thermal conductivity, suggesting that defects in polymer composites improve thermal transport by promoting this vibrational coupling.

42 ENGINEERING↗

Topological Hall effect in magnetic topological insulator films

Geometric Berry phase can be induced either by spin–orbit coupling, giving rise to the anomalous Hall effect in ferromagnetic materials, or by chiral spin texture, such as skyrmions, leading to the topological Hall effect. Recent experiments have revealed that both phenomena can occur in topological insulator films with magnetic doping, thus providing us with an intriguing platform to study the interplay between these two phenomena. In this work, we report on a numerical simulation of the anomalous Hall and topological Hall effects in a four-band model that can properly describe the quantum well states in the magnetic topological insulator films by combining Landauer–Büttiker formula and the iterative Green’s function method. Our numerical results suggest that spin–orbit coupling in this model plays a different role in the quantum transport in the clean and disordered limits. In the clean limit, spin–orbit coupling mainly influences the longitudinal transport but does not have much effect on topological Hall conductance. In the disordered limit, the longitudinal transport is determined by disorder scattering and spin–orbit coupling is found to affect strongly the topological Hall conductance. Here, this sharp contrast unveils a dramatic interplay between spin–orbit coupling and disorder effect in topological Hall effect in magnetic topological insulator systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effects of Radiative and Diffusive Transport Processes on Premixed Flames near Flammability Limits

A study of the mechanisms of flammability limits and the dynamics of flame extinguishment in premixed gas flames is described, a novel feature of which is the use of diluent gases having a wide range of radiative and diffusive transport properties. This feature enables an assessment of the importance of volumetric heat losses and Lewis number effects on these mechanisms. Additionally, effects of flame dynamics and flame front curvature are studied by employing spherically expanding flames obtained in a microgravity environment whereby natural convection is eliminated. New diagnostics include chamber pressure measurements and the first reported species concentration measurements in a microgravity combustion experiment. The limit mechanisms and extinguishment phenomena are found to be strongly influenced by the combined effects of radiant heat loss, Lewis number and flame curvature. Two new and as yet not well understood phenomena are reported: 'double flames' in rich H2-O2-CO2 mixtures and an 'inverse flammability region' in rich C3H8-O2-CO2 mixtures.

Abbud-Madrid, Angel↗

Universal limiter for transient interpolation modeling of the advective transport equations: The ULTIMATE conservative difference scheme

A fresh approach is taken to the embarrassingly difficult problem of adequately modeling simple pure advection. An explicit conservative control-volume formation makes use of a universal limiter for transient interpolation modeling of the advective transport equations. This ULTIMATE conservative difference scheme is applied to unsteady, one-dimensional scalar pure advection at constant velocity, using three critical test profiles: an isolated sine-squared wave, a discontinuous step, and a semi-ellipse. The goal, of course, is to devise a single robust scheme which achieves sharp monotonic resolution of the step without corrupting the other profiles. The semi-ellipse is particularly challenging because of its combination of sudden and gradual changes in gradient. The ULTIMATE strategy can be applied to explicit conservation schemes of any order of accuracy. Second-order schemes are unsatisfactory, showing steepening and clipping typical of currently popular so-called high resolution shock-capturing of TVD schemes. The ULTIMATE third-order upwind scheme is highly satisfactory for most flows of practical importance. Higher order methods give predictably better step resolution, although even-order schemes generate a (monotonic) waviness in the difficult semi-ellipse simulation. Little is to be gained above ULTIMATE fifth-order upwinding which gives results close to the ultimate for which one might hope.

Leonard, B. P.↗