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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

RANGERS: State of the Art and Science on Engineered Barrier Systems in Salt Formations

The construction of deep geological repositories (DGR) in salt formations requires penetrating through naturally sealing geosphere layers. While the emplaced nuclear waste is primarily protected by the containment-providing rock zone (CRZ), technical barriers are required, for example during handling. For closure geotechnical barriers seal the repository along the accesses against water or solutions from outside and the possible emission paths for radionuclides contained inside. As these barriers must ensure maintenance-free function on a long-term basis, they typically comprise a set of specialized elements with diversified functions that may be used redundantly. The effects of the individual elements are coordinated so that they are collectively referred to as the Engineered Barrier System (EBS).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2019

Atomic Layer Deposition Josephson Junctions for Cryogenic Circuit Applications

Superconducting-insulating-superconducting (SIS) trilayers have been produced for Josephson Junction fabrication by thermal atomic layer deposition (ALD) processes. The trilayers are composed of alternating layers of Ti0.4N0.6/Al2O3/ Ti0.4N0.6, deposited at 450°C, in a thermal ALD reactor on Al2O3-coated silicon. The conformal nature of the ALD process provides excellent step coverage of superconducting and insulating films. The film thickness of a single ALD cycle being one mono-layer, allows us to precisely control the tunnel-barrier insulator thickness by counting the number of ALD cycles during the insulator deposition step. Tunnel-junctions with critical current 500 A/cm2 are reported. Fabrication of Josephson Junctions and progress toward development of a single-element ALD Superconducting Quantum Interference Device (SQUID) will be discussed

Atomic Layer Definition↗
DOE OSTI2025

Oxygen vacancy-induced ferroelectric effect in (111) strontium titanate single crystals controls photoelectrochemical water oxidation

Ferroelectric materials, such as tetragonal BaTiO 3 , have a permanent electric polarization that can be controlled with an external electric field, however, a ferroelectric polarization in cubic SrTiO 3 is forbidden by the higher symmetry of the lattice. Here we demonstrate that hydrogen annealed SrTiO 3−x single crystals can be polarized electrically, and that the polarization controls the activity for photoelectrochemical water oxidation, a pathway to solar hydrogen fuel. Specifically, it is observed that the anodic water oxidation photocurrent increases from 0.99 to 2.22 mA cm −2 at 1.23 V RHE (60 mW cm −2 , UV illumination) or decreases to 0.50 mA cm −2 after electric polarization of hydrogen-annealed (111) SrTiO 3−x single crystals in forward or reverse direction. The polarization also modifies the surface photovoltage signal of the material and its flat band potential, based on Mott–Schottky measurements. These observations are attributed to the formation of an electric dipole at the (111) SrTiO 3−x surface, which alters the potential drop across the depletion layer at the solid–liquid junction, and with it the electron transfer barrier. Density functional theory calculations confirm that an electric dipole can result from the movement of oxygen vacancies between the surface or sub-surface layers of SrTiO 3−x . The filling of these surface oxygen vacancies is the probable cause for the observed disappearance of the electric polarization after 24 h storage in air and 48 h in argon. Overall, this work establishes a new surface-based ferroelectric effect in SrTiO 3−x and its use for solar energy conversion during photoelectrochemical water oxidation. Because oxygen vacancy defects are common, similar electric polarization effects are to be expected in other metal oxides.

Assavachin, Samutr [University of California, Davi↗
DOE OSTI2022

Direct Fabrication of Vertically Stacked Double Barrier Tunnel Junctions Based on Graphene and h-BN

Direct manufacturing of two-dimensional material-based double barrier (DB) tunnel junctions, based on a lithography-free approach was developed. Graphene/h-BN/Graphene/h-BN/Graphene devices were deposited on Si/SiO2 substrates by employing a plasma enhanced chemical vapor deposition technique in a sequential manner. DB tunneling junctions with varying barrier widths (by varying the thickness of the second graphene layer) were studied. Samples were characterized using Raman, Atomic Force Microscopy and X-ray photoemission spectroscopy. The I–V characteristics of tunneling current showed resonant tunneling behavior at room temperature with a negative differential conductance. The behavior could be explained with quantum mechanical double barrier tunneling model in which analytic solutions to Schrödinger’s equation were obtained in each region of the system. Resonances in transmission probability coefficient for varying barrier widths were evaluated and compared with the experimental results.

36 MATERIALS SCIENCE↗
NASA NTRS1985

The coverage-dependent effect on the barrier for oxygen penetration into a metal lattice

Model calculations for O/Cu(111) show that the rigid lattice penetration barrier is reduced from 8.2 to 5.3 eV as the O coverage is increased from 1/4 to 1/2 monolayer; it is expected that this large reduction will also apply to the relaxed lattice case. An increase of the distance between the first and second Cu layers, without changing the intralayer spacing, does not affect the barrier.

Bauschlicher, C. W., Jr.↗
DOE OSTI2020

Fundamentals of Au(111) Surface Dynamics: Coarsening of Two-Dimensional Au Islands

Au(111) surfaces play a central role in many applications, yet studies of fundamental aspects of their dynamics are limited. Thus, using scanning tunneling microscopy (STM) at 300 K, we analyze the coarsening of first-layer 2D Au islands directly on the Au(111) substrate and also of second-layer 2D Au islands. Specifically, we monitor the decay of Au first-layer islands with areas of about 100–500 nm 2 in the vicinity of larger islands or extended step edges over a period of approximately 40 h, the relevant time scale for this process. Experimentally observed behavior is captured by analytical theory for terrace-diffusion-limited decay incorporating DFT results for the Au terrace diffusion barrier and the adatom formation energy.Lastly, experimental observations of second-layer island decay are also compared with appropriate analytical theory and stochastic simulations, thereby determining the effective Ehrlich–Schwoebel barrier for Au on Au(111).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

Organized kinetic energy backscatter in the hurricane boundary layer from radar measurements

The fluid mechanics of hurricanes strongly depends on boundary layer energetics due to the warm-core nature of the system with peak velocities located at lower levels. One barrier that has inhibited a more complete characterization of energy transfer in the boundary layer is a lack of observations that resolve large, turbulent eddies. In particular, the occurrence and structure of upscale energy transfer (backscatter) in the hurricane boundary layer as well as the effects of backscatter on the vortex intensity are unknown. The analysis presented here of very high-resolution, three-dimensional wind observations from Hurricane Rita (2005) at peak intensity reveals large regions of organized backscatter in the boundary layer associated with coherent, turbulent eddies. Strong forwardscatter is also found next to the backscatter regions due to the interaction between adjacent eddies. Two components of the stress tensor are primarily responsible for this alternating scatter structure, as shown by large correlation coefficients between the fields: the radial–vertical component (τ13) and the azimuthal–vertical component (τ23) with average correlations of 79% and 49 %, respectively. The Leonard, Reynolds and cross-term stress components are also provided. The impact of the sub-filter-scale energy transfer is estimated by computing the kinetic energy budget for the resolved-scale and eddy-scale motions. The results show that the sub-filter-scale energy transfer term is of the same order as the other terms in the eddy-scale budgets, contributing between 16% and 40% to the local time tendency with an average contribution of approximately 30 %. These results indicate that the coherent turbulent eddies can affect the vortex dynamics through wave–wave nonlinear interactions, which can subsequently influence the wave–mean flow interactions. This is the first study to examine the full sub-filter-scale

Sydney Sroka↗
DOE OSTI2022

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanistic calculation of the effective silver diffusion coefficient in polycrystalline silicon carbide: Application to silver release in AGR-1 TRISO particles

The silicon carbide (SiC) layer in tristructural isotropic (TRISO) fuel particles serves as a barrier to prevent the escape of fission products produced and not retained in the fuel kernel. The release of silver (Ag) is a concern due to the long half-life of the 110m Ag isotope. However, accurately determining the fission gas release rate requires knowing the diffusion coefficient through the SiC layer. In this study, we leverage atomistic calculations of Ag diffusivity in SiC bulk and grain boundaries (GBs) to develop a mesoscale effective Ag diffusion coefficient (D eff ) in SiC. Since GBs serve as pathways for Ag diffusion, D eff is defined as a function of temperature and microstructure variables. In particular, the size of SiC grains in the direction perpendicular to diffusion is shown to significantly affect Ag diffusion. The prediction of the mechanistic, mesoscale approach falls within one order of magnitude of empirical values. The temperature and microstructure-dependent effective Ag diffusivity in SiC is implemented in the fuel performance code Bison with a correction factor to predict Ag release from AGR-1 TRISO fuel particles. We hereby quantify the impact of SiC grain size on Ag release and improve Bison’s predictions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1976

Ceramic thermal-barrier coatings for cooled turbines

Coating systems consisting of a plasma sprayed layer of zirconia stabilized with either yttria, magnesia or calcia over a thin alloy bond coat have been developed, their potential was analyzed and their durability and benefits evaluated in a turbojet engine. The coatings on air cooled rotating blades were in good condition after completing as many as 500 two-minute cycles of engine operation between full power at a gas temperature of 1644 K and flameout, or as much as 150 hours of steady state operation on cooled vanes and blades at gas temperatures as high as 1644 K with 35 start and stop cycles. On the basis of durability and processing cost, the yttria stabilized zirconia was considered the best of the three coatings investigated.

Liebert, C. H.↗
DOE OSTI2021

Effect of Catalyst and Catalyst Layer Composition on Catalyst Support Durability

Polymer electrolyte membrane fuel cells (PEMFCs) are efficient, zero-emission engines for the automotive sector. However, cost and durability are major barriers for the commercialization of PEMFCs. Degradation of the carbon support in the cathode catalyst layer due to high potential excursions caused by unmitigated events like H 2 starvation, or start-up/shutdown are still a major durability issue in PEMFCs. Catalyst support durability was studied by accelerated stress tests (ASTs) that included repeated potential cycling from 1.0 to 1.5 V. The effect of catalyst layer composition on carbon corrosion was studied using membrane electrode assemblies with different catalysts (Pt, PtCo), catalyst composition (catalyst wt.%, supports), ionomer composition (loading, and equivalent weights). The corrosion of the carbon support is similar between Pt and PtCo catalysts. However, the performance degradation rate is higher for the alloy catalysts due to differences in catalyst particle size and the transition metal’s leaching accelerating the performance degradation. The carbon loss is lower for catalysts with lower initial carbon loading (or higher catalyst wt.%), which is better for durability. However, the cumulative loss of carbon is identical for electrodes with the same catalyst support irrespective of catalyst and ionomer composition in the catalyst layer.

25 ENERGY STORAGE↗
DOE OSTI2023

Enhancing Crystallization in Hybrid Perovskite Solar Cells Using Thermally Conductive 2D Boron Nitride Nanosheet Additive

Controlling crystallization and grain growth is crucial for realizing highly efficient hybrid perovskite solar cells (PSCs). In this work, enhanced PSC photovoltaic performance and stability by accelerating perovskite crystallization and grain growth via 2D hexagonal boron nitride (hBN) nanosheet additives incorporated into the active perovskite layer are demonstrated. Specifically, in situ X-ray scattering and infrared thermal imaging during the perovskite annealing process revealed the highly thermally conductive hBN nanosheets promoted the phase conversion and grain growth in the perovskite layer by facilitating a more rapid and spatially uniform temperature rise within the perovskite film. Complementary structural, physicochemical, and electrical characterizations further showed that the hBN nanosheets formed a physical barrier at the perovskite grain boundaries and the interfaces with charge transport layers, passivating defects, and retarding ion migration. As a result, the power conversion efficiency of the PSC is improved from 17.4% to 19.8%, along with enhanced device stability, retaining ≈90% of the initial efficiency even after 500 h ambient air storage. Here, the results not only highlight 2D hBN as an effective additive for PSCs but also suggest enhanced thermal transport as one of the pathways for improved PSC performance by 2D material additives in general.

2D materials↗
NASA NTRS2013

Composite Aerogel Multifoil Protective Shielding

New technologies are needed to survive the temperatures, radiation, and hypervelocity particles that exploration spacecraft encounter. Multilayer insulations (MLIs) have been used on many spacecraft as thermal insulation. Other materials and composites have been used as micrometeorite shielding or radiation shielding. However, no material composite has been developed and employed as a combined thermal insulation, micrometeorite, and radiation shielding. By replacing the scrims that have been used to separate the foil layers in MLIs with various aerogels, and by using a variety of different metal foils, the overall protective performance of MLIs can be greatly expanded to act as thermal insulation, radiation shielding, and hypervelocity particle shielding. Aerogels are highly porous, low-density solids that are produced by the gelation of metal alkoxides and supercritical drying. Aerogels have been flown in NASA missions as a hypervelocity particle capture medium (Stardust) and as thermal insulation (2003 MER). Composite aerogel multifoil protective shielding would be used to provide thermal insulation, while also shielding spacecraft or components from radiation and hypervelocity particle impacts. Multiple layers of foil separated by aerogel would act as a thermal barrier by preventing the transport of heat energy through the composite. The silica aerogel would act as a convective and conductive thermal barrier, while the titania powder and metal foils would absorb and reflect the radiative heat. It would also capture small hypervelocity particles, such as micrometeorites, since it would be a stuffed, multi-shock Whipple shield. The metal foil layers would slow and break up the impacting particles, while the aerogel layers would convert the kinetic energy of the particles to thermal and mechanical energy and stop the particles.

Jones, Steven M.↗
DOE OSTI2024

Simulations of three-layer Richtmyer–Meshkov mixing in a shock tube

Here, the Richtmyer–Meshkov instability causes perturbations to grow after a shock traverses a fluid density interface. This increases the mixing rate between fluid from either side of the interface. We use the Flash Eulerian hydrodynamic code to investigate alterations when a thin third layer of intermediate density is placed along the interface, effectively creating two adjacent unstable interfaces. This is a common occurrence in engineering applications where a thin barrier initially separates two materials. We find that the width of the mixing layer is similar or slightly reduced; however, the total mass of mixed material can actually increase. The mixing layer becomes more compact and efficient. However, the normalized mixed mass decreases, meaning that finger entrainment becomes more important than in the simple two-layer case. The effect of adding the central layer appears to decrease when the Atwood number is decreased. The Flash results are also benchmarked against two-layer experimental data from a shock tube at the University of Arizona.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Tuning discharge voltage by Schottky electron barrier in P2-Na 2/3 Mg 0.205 Ni 0.1 Fe 0.05 Mn 0.645 O 2

Recently, Mg doped Na metal oxide layered cathode compounds have attracted strong interest for Na-ion battery applications. We report a new type of asymmetric phase evolution between charge and discharge is found to show much-enhanced discharge voltage in P2-Na 2/3 Mg 0.205 Ni 0.1 Fe 0.05 Mn 0.645 O 2 over the parent cathode compound. P2 solid solution is found to show an abnormal coexistence with O2-P2 two-phase reaction during discharge with simultaneous reduction of O, Ni, and Fe redoxes, distinct from the conventional P2-O2 two-phase reaction in the charge. Our analysis suggests that the P2 and O2 two-phase boundary forms a novel unidirectional Schottky barrier to impede electron and Na diffusions in discharge only, thus making the kinetically preferred P2 solid solution phase abnormally coexist with the two-phase region for high discharge voltage and low polarization. Our work demonstrates tuning dynamic evolution of electronic Schottky barrier as a new dimension for advanced kinetic design of high-performance battery cathode materials.

25 ENERGY STORAGE↗
NASA NTRS2019

Reformulation of Oxide Growth Equations for Oxidation of Silicon Bond Coat in Environmental Barrier Coating Systems

The formulation of Deal and Grove for the oxidation of silicon and the growth of a silica layer is revisited to include the effects of a protective coating layer. The linear-parabolic equation of the form x_o^2+Ax_o=Bt is still applicable, but the expressions for the constants A and B must be modified to account for the coating. The modified expression for A is a linear function of the coating thickness. The expression for B is modified by the relative solubility of the outer coating layer. The modified expressions are applied to assess recently published experimental results for the oxidation of a silicon bond coat in an environmental barrier coating (EBC). Conclusions are drawn regarding the diffusivity and solubility of oxidants in the EBC top coating.

Sullivan, Roy M.↗
DOE OSTI2023

Transport barrier and spinning blob dynamics in the tokamak edge

Abstract In this work, we investigate the dynamics of plasma blobs in the edge of magnetic confinement devices using a full-f gyrokinetic particle-in-cell code with X-point geometry. In simulations, the evolution of a seeded blob is followed as it approaches a naturally-forming zonal shear layer near the separatrix, where the blob is stabilized by a large spin induced by the self-consistent adiabatic electron response, and blob bifurcation and trapping are observed during the cross-field propagation of blobs. A new theoretical explanation in both the zonal free and zonal shear layer is constructed, where the dominant E × B spin motion is included. A theoretical condition for a transport barrier induced by the interaction between spinning blobs and the zonal shear layer is obtained, and its scaling is verified with simulations. The new theoretical framework, especially the transport barrier, is applicable to explain and predict various experimental phenomena. In particular, the transport barrier condition calculated with experimental parameters demonstrates that the blob radial transport for H mode is smaller than L mode in experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

In Situ Surface Reconstruction via Lithium Residue Regulation for Direct Recycling of Ni-Rich Cathodes

Surface stability is crucial for the long cycling performance of Ni-rich cathodes, as it dictates and governs side reactions, preserves crystal integrity, and mitigates capacity degradation during cycling. For spent Ni-rich cathodes targeted for one-step direct recycling, constructing a robust and stable surface is particularly challenging because prior cycling induces severe structural and morphological degradation. Here, in this study, we introduce an in situ surface reconstruction strategy that converts surface lithium residues into a protective layer via a direct liquid-phase coating with ammonium dihydrogen phosphate (ADP). During the process, residual lithium remaining after the hydrothermal relithiation is removed, while a conformal lithium phosphate (Li 3 PO 4 , LPO) layer is formed to act as both a chemical barrier and a structural stabilizer. This dual function enhances cycling stability and rate capability in regenerated cathodes, and the approach is applicable to various Ni-rich compositions including spent LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) and scrap LiNi 0.866 Mn 0.066 Co 0.05 Al 0.018 O 2 (NCMA). Its scalability and compositional versatility make it a promising route for sustainable regeneration of high-performance cathode materials.

36 MATERIALS SCIENCE↗