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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Traction-separation response of bilayer graphene interfaces: The role of an intercalated single atomic layer of water molecules and hydroxyl groups

Molecular dynamics simulations of the normal and shear traction-separation response of dry and wet bilayer graphene interfaces were performed. The influence of a single, atomic layer of water molecules sandwiched between graphene layers and hydroxyl functionalization on one or both layers were investigated. Hydroxyl groups provided a shielding effect during normal separation while favoring stick-slip friction under sliding conditions. The single, atomic layer of water molecules confined between hydrophilic and asymmetric hydrophobic/hydrophilic surfaces was found to ease sliding friction. The mechanisms arose from the balance between the attractive and repulsive graphene/water interactions through bridges of single water molecules between the two surfaces and the structure of the water monolayer under confinement for which an out-of-plane water/water hydrogen bond network could not be developed. The single, atomic layer of water molecules reduced the sliding friction the most when both surfaces were hydrophilic and lowered the sliding friction of the asymmetric hydrophobic/hydrophilic interfaces to that when both surfaces were hydrophobic. An optimal hydroxyl surface coverage of less than 10% may exist for efficient water lubrication, with diminishing effect with increasing number of hydroxyl groups. Finally, the findings offer a design strategy for assembling bilayer graphene interfaces with tailored friction and sliding contact properties.

36 MATERIALS SCIENCE↗
NASA NTRS2021

Orion Meteoroid and Debris Analysis with a Single Kevlar® Layer Enhancement to the Propulsion Tank Multi-Layer Insulation: Comparison of the Observed Data and the Adjusted Ballistic Models

In a continual mass optimization effort for the Orion vehicle by NASA and its prime contractor Lockheed Martin Space, along with the European Space Agency (ESA) and its contractors Airbus and Thales Alenia Space-Italy (TAS-I), a series of shield characterization shots have been performed to quantify the ballistic enhancement of a single-layer of Kevlar® in multi-layer insulation (MLI). This enhanced MLI is part of Orion’s propulsion subsystem, and it is planned to replace a double-layer Kevlar® configuration starting at the Artemis IV mission. This effort has included fifty-two shield characterization shots for five different shield configurations over the four Orion propellant storage vessels. These storage vessels are located in the European Service Module (ESM). This shield characterization has been managed by the Hypervelocity Impact Technology (HVIT) group in NASA Astromaterials Research and Exploration Sciences at Johnson Space Center (JSC) for the NASA Engineering and Safety Center (NESC) and the Multi-Purpose Crew Vehicle (MPCV) program office in coordination with Lockheed Martin Space and Thales Alenia Space-Italy (TAS-I). The shield characterization has used the two-stage, light-gas-gun at the Remote Hypervelocity Test Laboratory (RHTL) of NASA JSC White Sands Test Facility (WSTF) for acceleration of projectiles to representative orbital impact speeds. From this shield characterization effort, a revised ballistic limiting equation (BLE) has been developed for each of the five representative shielding configurations of the ESM pressure vessels. This document provides a brief description of the shield configurations considered for the Orion program and the shield characterization findings. These results are compared to the assumed BLE for each configuration going into the Artemis missions that utilize this version of ballistic enhanced MLI. The models are integrated into a fourteen day High Lunar Orbit (HLO) mission as a representative reliability prediction impact for Orion, and it has been found that the predicted risk of a loss-of-crew (LOC) event is actually a little less than half of the assumed value that launched this design modification opportunity.

Joshua E Miller↗
DOE OSTI2021

Imaging Secondary Electron Emission from a Single Atomic Layer

Graphene-based devices hold promise for a wide range of technological applications. Yet characterizing the structure and the electrical properties of a material that is only one atomic layer thick still poses technical challenges. Recent investigations indicate that secondary-electron electron-beam-induced current (SE-EBIC) imaging can reveal subtle details regarding electrical conductivity and electron transport with high spatial resolution. Here, it is shown that the SEEBIC imaging mode can be used to detect suspended single layers of graphene and distinguish between different numbers of layers. Pristine and contaminated areas of graphene are also compared to show that pristine graphene exhibits a substantially lower SE yield than contaminated regions. In conclusion, this SEEBIC imaging mode may provide valuable information for the engineering of surface coatings where SE yield is a priority.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Determination of Ice Water Path in Ice-over-Water Cloud Systems Using Combined MODIS and AMSR-E Measurements

To provide more accurate ice cloud properties for evaluating climate models, the updated version of multi-layered cloud retrieval system (MCRS) is used to retrieve ice water path (IWP) in ice-over-water cloud systems over global ocean using combined instrument data from the Aqua satellite. The liquid water path (LWP) of lower layer water clouds is estimated from the Advanced Microwave Scanning Radiometer for EOS (AMSR-E) measurements. With the lower layer LWP known, the properties of the upper-level ice clouds are then derived from Moderate Resolution Imaging Spectroradiometer measurements by matching simulated radiances from a two-cloud layer radiative transfer model. Comparisons with single-layer cirrus systems and surface-based radar retrievals show that the MCRS can significantly improve the accuracy and reduce the over-estimation of optical depth and ice water path retrievals for ice over-water cloud systems. During the period from December 2004 through February 2005, the mean daytime ice cloud optical depth and IWP for overlapped ice-over-water clouds over ocean from Aqua are 7.6 and 146.4 gm(sup -2), respectively, significantly less than the initial single layer retrievals of 17.3 and 322.3 gm(sup -2). The mean IWP for actual single-layer clouds was 128.2 gm(sup -2).

Huang, Jianping↗
DOE OSTI2020

Atomic force microscopy phase imaging of epitaxial graphene films

Abstract Dynamic mode atomic force microscopy phase imaging is known to produce distinct contrast between graphene areas of different atomic thickness. But the intrinsic complexity of the processes controlling the tip motion and the phase angle shift excludes its use as an independent technique for a quantitative type of analysis. By investigating the relationship between the phase shift, the tip-surface interaction, and the thickness of the epitaxial graphene areas grown on silicon carbide, we shed light on the origin of such phase contrast, and on the complex energy dissipation processes underlying phase imaging. In particular, we study the behavior of phase shift and energy dissipation when imaging the interfacial buffer layer, single-layer, and bilayer graphene regions as a function of the tip-surface separation and the interaction forces. Finally, we compare these results with those obtained on differently-grown quasi free standing single- and bilayer graphene samples.

Lavini, Francesco (ORCID:0000000257223040)↗
DOE OSTI2021

Maximized Hole Trapping in a Polystyrene Transistor Dielectric from a Highly Branched Iminobis(aminoarene) Side Chain

We synthesized highly branched and electron donating side chain subunits and attached them to polystyrene (PS) used as a dielectric layer in a pentacene field effect transistor. The influence of these groups on dielectric function, charge retention and threshold voltage shifts (ΔV th ) depending on their positions in dielectric multilayers was determined. We compared the observations made on an N-perphenylated iminobisaniline side chain with those from the same side chains modified with ZnO nanoparticles and with an adduct formed from tetracyanoethylene (TCNE). We also synthesized an analogue in which six methoxy groups are present instead of two amine nitrogens. At 6 mol % side chain, hopping transport was sufficient to cause shorting of the gate, while at 2 mol %, charge trapping was observable as transistor threshold voltage shifts (ΔV th ). Here, we created three types of devices: with the substituted PS layer as single layer dielectric, on top of a crosslinked PS layer but in contact with the pentacene (bilayers), and sandwiched between two PS layers in trilayers. Particularly large bias stress effects and ΔV th , larger than the hexamethoxy and previously studied dimethoxy analogs, were observed in the second case and the effects increased with the increasing electron donating properties of the modified side chains. The highest ΔV th was consistent with a majority of the side chains stabilizing trapped charge. Trilayer devices showed decreased charge storage capability compared to previous work in which we used less donating side chains but in higher concentrations. The ZnO and TCNE modifications resulted in slightly more and less negative ΔV th , respectively, when the side chain polystyrene was not in contact with the pentacene and isolated from the gate electrode. The results indicate a likely maximum combination of molecular charge stabilizing activity and side chain concentration that still allows gate dielectric function.

36 MATERIALS SCIENCE↗
DOE OSTI2021

CrI 3 revisited with a many-body ab initio theoretical approach

CrI 3 has recently been shown to exhibit low-dimensional, long-range magnetic ordering from few layers to single layers of CrI 3 . The properties of CrI 3 bulk and few layered systems are uniquely defined by a combination of short-range intralayer and long-range interlayer interactions; including strong correlations, exchange and spin orbit coupling. Unfortunately, both the long-range van der Waals interactions, which are driven by dynamic, many-body electronic correlations and the competing strong intralayer correlations, present a formidable challenging for the local or semi local mean-field approximations employed in workhorse electronic structure approaches like density functional theory. In this work, we employ a sophisticated many-body approach that can simultaneously describe long- and short-range correlations. Herein, we establish that the fixed-node diffusion Monte Carlo (FNDMC) method reproduces the experimental interlayer separation distance of bulk CrI 3 for the high-temperature, monoclinic phase, with a reliable prediction of the interlayer binding energy. We subsequently employed, the FNDMC results to benchmark the accuracy of several density functional theory exchange-correlation approximations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Combinatorial Cu-Ni Alloy Thin-Film Catalysts for Layer Number Control in Chemical Vapor-Deposited Graphene

We synthesized a combinatorial library of CuxNi1−x alloy thin films via co-sputtering from Cu and Ni targets to catalyze graphene chemical vapor deposition. The alloy morphology, composition, and microstructure were characterized via scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDS), and X-ray diffraction (XRD), respectively. Subsequently, the CuxNi1−x alloy thin films were used to grow graphene in a CH4-Ar-H2 ambient at atmospheric pressure. The underlying rationale is to adjust the CuxNi1−x composition to control the graphene. Energy dispersive x-ray spectroscopy (EDS) analysis revealed that a continuous gradient of CuxNi1−x (25 at. % < x < 83 at.%) was initially achieved across the 100 mm diameter substrate (~0.9%/mm composition gradient). The XRD spectra confirmed a solid solution was realized and the face-centered cubic lattice parameter varied from ~3.52 to 3.58 A˙, consistent with the measured composition gradient, assuming Vegard’s law. Optical microscopy and Raman analysis of the graphene layers suggest single layer growth occurs with x > 69 at.%, bilayer growth dominates from 48 at.% < x < 69 at.%, and multilayer (≥3) growth occurs for x < 48 at.%, where x is the Cu concentration. Finally, a large area of bi-layer graphene was grown via a CuxNi1−x catalyst with optimized catalyst composition and growth temperature.

2D materials↗
NASA NTRS1984

Thermal oxidation of 3C silicon carbide single-crystal layers on silicon

Thermal oxidation of thick single-crystal 3C SiC layers on silicon substrates was studied. The oxidations were conducted in a wet O2 atmosphere at temperatures from 1000 to 1250 C for times from 0.1 to 50 h. Ellipsometry was used to determine the thickness and index of refraction of the oxide films. Auger analysis showed them to be homogeneous with near stoichiometric composition. The oxide growth followed a linear parabolic relationship with time. Activation energy of the parabolic rate constant was found to be 50 kcal/mole, while the linear rate constant was 74 kcal/mole. The latter value corresponds approximately to the energy required to break a Si-C bond. Electrical measurements show an effective density of 4-6 x 10 to the 11th per sq cm for fixed oxide charges at the oxide-carbide interface, and the dielectric strength of the oxide film is aproximately 6 x 10 to the 6th V/cm.

Fung, C. D.↗
NASA NTRS1986

Space-time correlation measurements in a compressible turbulent boundary layer

Single and dual hot-wire probes have been used to accomplish a first look at the large-eddy structure of a supersonic turbulent boundary layer. The investigation was performed in an axisymmetric turbulent boundary layer in the Ames High Reynolds Number wind tunnel. Freestream Mach number was 2.97, the boundary layer was approximately 1.2 cm thick, and Reynolds number = 15,000. Quantities measured were streamwise turbulence intensity and higher order statistics of mass-flow fluctuations, and space-time correlations of instantaneous streamwise velocity at two locations. Conditional sampling of the hot-wire signals was performed to detect the passage and describe the character of the large turbulent eddies. Results indicate that the large scale structure in compressible turbulence is similar to that at low subsonic flow speeds except at the boundary layer edge, where the intermittency region is narrowed in compressible flow.

Robinson, S. K.↗
DOE OSTI2024

Pioneering Microporous Layers for Proton-Exchange-Membrane Water Electrolyzers via Tape Casting

The imperative shift towards decarbonization necessitates the production of clean hydrogen through water electrolysis, powered by renewable energy sources. Among electrolyzer technologies, proton-exchange-membrane (PEM) systems emerge as a promising option for large-scale hydrogen generation due to their modular design and rapid response, aligning well with the intermittency of renewable energy. In this study, we employ a tape casting method to fabricate microporous layers (MPLs), both as a single layer and as a bilayer over commercial porous transport layers (PTLs), to further enhance performance of water electrolyzers. We demonstrate that microporous layers require adequate pore sizes to facilitate gas removal, preventing gas flooding and preserving electrolyzer performance. Our single layer microporous layers exhibit lower overpotentials compared to commercial sintered Ti PTLs by 142 mV at 4 A·cm ⁻2 . Moreover, we show that having an effective microporous layer enhances electrolyzer performance irrespective of the substrate used, offering avenues for cost reduction. We also investigate novel PTL structures with reduced tortuosity and integrated MPL fabricated via phase inversion tape casting, resulting in a performance enhancement of 92 mV. Our findings unravel the critical role of microporous layer structures and their impact on electrolyzer performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Single-atom-layer traps in a solid electrolyte for lithium batteries

In order to fully understand the lithium-ion transport mechanism in solid electrolytes for batteries, not only the periodic lattice but also the non-periodic features that disrupt the ideal periodicity must be comprehensively studied. At present only a limited number of non-periodic features such as point defects and grain boundaries are considered in mechanistic studies. Here, we discover an additional type of non-periodic feature that significantly influences ionic transport; this feature is termed a “single-atom-layer trap” (SALT). In a prototype solid electrolyte Li 0.33 La 0.56 TiO 3 , the single-atom-layer defects that form closed loops, i.e., SALTs, are found ubiquitous by atomic-resolution electron microscopy. According to ab initio calculations, these defect loops prevent large volumes of materials from participating in ionic transport, and thus severely degrade the total conductivity. This discovery points out the urgency of thoroughly investigating different types of non-periodic features, and motivates similar studies for other solid electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2022

Summertime Marine Boundary Layer Cloud, Thermodynamic, and Drizzle Morphology over the Eastern North Atlantic: A Four-Year Study

Abstract Summertime remote sensor and in situ data from 2016 to 2019 collected at the ARM Eastern North Atlantic (ENA) Observatory are combined with aircraft measurements from the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign to quantify marine boundary layer (MBL) cloud, thermodynamic, and drizzle morphology in the region. A radar reflectivity–rainfall rate relationship ( Z – R ) is developed from aircraft data and 6-h cloud morphological regimes are identified from ENA data using a k -means algorithm driven by three independent inputs quantifying cloud thickness, drizzle intensity, and cloud field geometric complexity. Four separate MBL structural regimes representing non- or weakly drizzling single-layer stratocumulus, drizzling stratocumulus and cumulus-coupled stratocumulus, deep convection, and broken clouds embedded in northerly flow are identified. Single-layer stratocumulus is indicated when weak subtropical anticyclones are significantly west of the ENA site, and the MBL is cooler and drier than when drizzling and cumulus-coupled stratocumulus and broken clouds are observed. Drizzling and cumulus-coupled stratocumulus clouds are observed on the eastern flank of strong subtropical anticyclones in deep warm moist air masses with wind speeds exceeding 7 m s −1 and strong near-surface wind shear. Broken clouds exhibit strong wind shear near the inversion, while single-layer stratocumulus clouds have lower wind speeds and minimal shear. Net latent heat fluxes in the subcloud layer resulting from a combination of the ocean surface heat flux and evaporating drizzle average near zero over long periods in drizzling and cumulus-coupled stratocumulus. The ECMWF reanalysis version 5 (ERA5) is found to accurately represent single-layer stratocumulus properties, while producing significant discrepancies when drizzling stratocumulus and cumulus-coupled stratocumulus are observed.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

Finite-element modeling of structural vibrations - Recent developments

Recent advances in the development of refined theories and their finite-element analyses of plates and shells are reviewed and sample results are presented. Both single-layer and layer-wise plate theories for the analysis of laminated composite plates and shells are discussed. The effect of element locking, physical symmetries and boundary conditions on natural frequencies are discussed, and the accuracy of various theories is evaluated. The layer-wise laminate theories developed by the author and his colleagues yield significantly more accurate results for laminated plates and shells with dissimilar layers than the conventional single-layer theories.

Reddy, J. N.↗
NASA NTRS2006

A Climatology of Midlatitude Continental Clouds from the ARM SGP Central Facility: Cloud Fraction and Radiative Forcing - Part II

Data collected at the Department of Energy Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) central facility are analyzed for determining the variability of cloud fraction and radiative forcing at several temporal scales between January 1997 and December 2002. Cloud fractions are estimated for total cloud cover and for single-layer low (0-3 km), middle (3-6 km), and high clouds (greater than 6 km) using ARM SGP ground-based paired lidar-radar measurements. Shortwave (SW), longwave (LW), and net cloud radiative forcings (CRF) are derived from up- and down-looking standard precision spectral pyranometers and precision infrared radiometer measurements. The annual averages of total, and single-layer, nonoverlapped low, middle and high cloud fractions are 0.49, 0.11, 0.03, and 0.17, respectively. Total and low cloud amounts were greatest from December through March and least during July and August. The monthly variation of high cloud amount is relatively small with a broad maximum from May to August. During winter, total cloud cover varies diurnally with a small amplitude, mid-morning maximum and early evening minimum, and during summer it changes by more than 0.14 over the daily cycle with a pronounced early evening minimum. The diurnal variations of mean single-layer cloud cover change with season and cloud height. Annual averages of all-sky, total, and single-layer high, middle, and low LW CRFs are 21.4, 40.2, 16.7, 27.2, and 55.0 Wm(sup -2), respectively; and their SW CRFs are -41.5, -77.2, -37.0, -47.0, and -90.5 Wm(sup -2). Their net CRFs range from -20 to -37 Wm(sup -2). For all-sky, total, and low clouds, the maximum negative net CRFs of -40.1, -70, and -69.5 Wm(sup -2), occur during April; while the respective minimum values of -3.9, -5.7, and -4.6 Wm(sup -2), are found during December. July is the month having maximum negative net CRF of -46.2 Wm(sup -2) for middle clouds, and May has the maximum value of -45.9 Wm(sup -2) for high clouds. An uncertainty analysis demonstrates that the calculated CRFs are not significantly affected by the difference between clear-sky and cloudy conditions. A more comprehensive cloud fraction study from both surface and satellite observations will follow.

Dong, Xiquan↗
DOE OSTI2021

Modeling Electrokinetics of Oxygen Electrodes in Solid Oxide Electrolyzer Cells

A microscale model is presented in this study to simulate electrode kinetics of the oxygen electrode in a solid oxide electrolyzer cell (SOEC). Two mixed ionic/electronic conducting structures are examined for the oxygen producing electrode in this work: single layer porous lanthanum strontium cobalt ferrite (LSCF), and bilayer LSCF/SCT (strontium cobalt tantalum oxide) structures. A yttrium-stabilized zirconia (YSZ) electrolyte separates the hydrogen and oxygen electrodes, as well as a gadolinium doped-ceria (GDC) buffer layer on the oxygen electrode side. Electrochemical reactions occurring at the two-phase boundaries (2PBs) and three-phase boundaries (3PBs) of single-layer LSCF and bilayer LSCF/SCT oxygen electrodes are modeled under various SOEC voltages with lattice oxygen stoichiometry as the key output. The results reveal that there exists a competition in electrode kinetics between 2PBs and 3PBs, but 3PBs are the primary reactive sites for single-layer LSCF oxygen electrode under high voltages. These locations experience the greatest oxygen stoichiometry variations and are therefore the most likely locations for dimensional changes. By applying an active SCT layer over LSCF, the 2PBs become activated to compete with the 3PBs, thus alleviating oxygen stoichiometry variations and reducing the likelihood of dimensional change. This strategy could reduce lattice structural expansion, proving to be valuable for electrode-electrolyte delamination prevention and will be the focus of future work.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Quantum oscillations and transport properties of layered single-crystal SrCu 4 ⁢As 2

Here, we report a systematic investigation of the physical properties and Fermi-surface topology of layered single-crystal SrCu 4⁢ As 2 using electrical transport, magnetotransport, and quantum-oscillation experiments plus band-structure calculations. The temperature-dependent electrical resistivity reveals a hysteretic phase transition at 𝑇 𝑃 =59 K, most likely associated with a structural change. Hall resistivity data suggest a marked change in the average hole density resulting from the latter phase transition near 𝑇 𝑃 . A large, linear, and nonsaturating magnetoresistance is observed at low temperatures in SrCu 4 ⁢As 2 , likely attributable to the multipocket Fermi surface. Quantum-oscillation data measured in magnetic fields of up to 60 T show several oscillation frequencies exhibiting low effective masses, indicating the presence of Dirac-like band dispersion in SrCu 4 ⁢As 2 , as suggested by the band structure calculations.

36 MATERIALS SCIENCE↗