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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantitative x ray phase contrast imaging of oblique shock wave–interface interactions

Oblique shock wave–interface interactions of gases and liquids have been extensively studied in shock tubes using optical methods to measure equation-of-state (EOS) parameters. However, this is difficult with solids due to their opaqueness to visible light. X ray phase contrast imaging (XPCI) has the penetrative strength to probe solids while still being sensitive to mass density and enhancing the visibility of material boundaries. We investigate the accuracy and repeatability of measuring the mean value of the average mass density (areal density divided by thickness) over region S (B S ) and flow deflection angle (θ) from XPCI images of a sample. To that end, a Hough transform-based method for measuring θ is developed. To measure B S , the XPCI image intensity probability density function (PDF) is modeled accounting for the spatial distribution of x ray energy, scintillator response, and pulse-to-pulse variation in the x ray intensity. In addition, a Monte Carlo-based algorithm for computing the B S PDF is developed. Both methods are validated on an impact-generated oblique shock wave interacting at a solid polymer-to-polymer interface. Furthermore this is accomplished through a comparison to hydrodynamic simulations using well-established EOS. Under the modeling framework for the XPCI image intensity, B S is computed with an accuracy of < 0.1% and precision of 3%–5%, while θ has an uncertainty of 0.2°, respectively. This shows that the XPCI-based model that is developed here could be an invaluable tool for high-fidelity testing of hydrodynamic models in shock polar configurations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Dissecting Disorder: Defect-Driven Structural Complexity in Layered Li3InCl6 Solid Electrolyte

Halide solid electrolytes have emerged as promising candidates for solid-state batteries owing to their high oxidative stability and ionic conductivity. Among them, Li3InCl6 (LIC) has attracted significant attention. However, diffraction patterns of LIC synthesized via different methods exhibit distinct differences particularly at low-angle reflectionsindicative of underlying structural disorder. These variations are attributed to deviations from ideal crystallographic order, especially stacking faults, whose impact on structure and ion transport remains poorly understood. Here, we identify and quantify stacking faults in LIC samples prepared under different synthetic conditions. Using X-ray diffraction and time-of-flight neutron diffraction, we construct and refine stacking fault models that accurately reproduce the experimental diffraction features. LIC samples with higher degrees of stacking faults exhibit only negligible differences in ionic conductivities and activation energies. This indicates that stacking faults have a limited impact on altering the Li+ diffusion pathway along the c-axis, likely due to the high concentration of vacancies in the In layers, while Li+ diffusion remains nearly unchanged in the ab-plane. Our results account for the observed differences in diffraction patterns across samples and provide a quantitative assessment of faulting probabilities and stacking sequences. The insights gained from this study are expected to be broadly applicable to other layered halide solid electrolytes and contribute to a deeper understanding of the role of structural disorder in ion transport.

Liu, Jue [ORNL] (ORCID:000000024453910X)↗
DOE OSTI2018

Preferential flow systems amended with biogeochemical components: imaging of a two-dimensional study

The vadose zone is a highly interactive heterogeneous system through which water enters the subsurface system by infiltration. This paper details the effects of simulated plant exudate and soil component solutions upon unstable flow patterns in a porous medium (ASTM silica sand; US Silica, Ottawa, IL, USA) through the use of two-dimensional tank light transmission method (LTM). The contact angle (θ) and surface tension (γ) of two simulated plant exudate solutions (i.e., oxalate and citrate) and two soil component solutions (i.e., tannic acid and Suwannee River natural organic matter, SRNOM) were analyzed to determine the liquid–gas and liquid–solid interface characteristics of each. To determine if the unstable flow formations were dependent on the type and concentration of the simulated plant exudates and soil components, the analysis of the effects of the simulated plant exudate and soil component solutions were compared to a control solution (Hoagland nutrient solution with 0.01 M NaCl). Fingering flow patterns, vertical and horizontal water saturation profiles, water saturation at the fingertips, finger dimensions and velocity, and number of fingers were obtained using the light transmission method. Significant differences in the interface properties indicated a decrease between the control and the plant exudate and soil component solutions tested; specifically, the control (θ = 64.5° and γ = 75.75mNm -1 ) samples exhibited a higher contact angle and surface tension than the low concentration of citrate (θ = 52.6° and γ = 70.8mNm -1 ). Wetting front instability and fingering flow phenomena were reported in all infiltration experiments. The results showed that the plant exudates and soil components influenced the soil infiltration as differences in finger geometries, velocities, and water saturation profiles were detected when compared to the control. Among the tested solutions and concentrations of soil components, the largest finger width (10.19cm) was generated by the lowest tannic acid solution concentration (0.1mgL -1 ), and the lowest finger width (6.00cm) was induced by the highest SRNOM concentration (10mgL -1 ). Similarly, for the plant exudate solutions, the largest finger width (8.36cm) was generated by the lowest oxalate solution concentration (0.1mgL -1 ), and the lowest finger width (6.63cm) was induced by the lowest citrate concentration (0.1mgL -1 ). The control solution produced fingers with average width of 8.30cm. Additionally, the wettability of the medium for the citrate, oxalate, and SRNOM solutions increased with an increase in concentration. Our research demonstrates that the plant exudates and soil components which are biochemical compounds produced and released in soil are capable of influencing the process of infiltration in soils. The results of this research also indicate that soil wettability, expressed as cosθ 1/2 , should be included in the scaling of the finger dimension, i.e., finger width, when using the Miller and Miller (1956) scaling theory for the scaling of flow in porous media.

58 GEOSCIENCES↗
DOE OSTI2018

High Pressure Induced in Situ Solid-State Phase Transformation of Nonepitaxial Grown Metal@Semiconductor Nanocrystals

Considering the large lattice mismatch induced interface strain between nonepitaxial grown monocrystalline semiconductor shell and metal core, we studied the solid-state phase transformation of such nonepitaxial grown Au@CdS core/shell NCs under high pressure in this paper. Consistent with HRTEM characterizations, the high resolution Raman spectra and synchrotron angle-dispersive X-ray diffraction (ADXRD) spectra evolution were utilized to investigate the hydrostatic pressure (0–24 GPa) induced gradual phase transformation. Here, due to the strong lattice interactions between Au core and CdS shell, the different behavior and improved stability under high pressure appeared compared to single quantum dots (QDs).

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

Editors’ Choice—Flooded by Success: On the Role of Electrode Wettability in CO 2 Electrolyzers that Generate Liquid Products

Economic operation of carbon dioxide (CO 2 ) electrolyzers generating liquid products will likely require high reactant conversions and product concentrations, conditions anticipated to challenge existing gas diffusion electrodes (GDEs). Notably, electrode wettability will increase as lower surface tension products (e.g., formic acid, alcohols) are introduced into electrolyte streams, potentially leading to flooding. To understand the hydraulically stable operating envelopes in mixed aqueous-organic liquid domains, we connect intrinsic electrode wettability descriptors to operating parameters such as electrolyte flow rate and current. We first measure contact angles of water-organic product dilutions on polytetrafluoroethylene (PTFE) and graphite surfaces as planar analogues for GDE components. We then use material balances around the reactive gas-liquid-solid interface to calculate product mass fractions as functions of water sweep rate and current. Product composition maps visualize the extent to which changes in cell performance influence capillary pressure, a determinant of GDE saturation. Analyses suggest that formic acid mixtures pose little risk for GDE flooding across a wide range of conditions, but effluents containing <30% alcohol by mass may cause flooding. This study reveals opportunities to integrate microstructural features and oleophobic surface treatments into GDEs to repel aqueous-organic mixtures and expand the window of stable operating conditions.

25 ENERGY STORAGE↗
DOE OSTI2019

Dual Atmosphere Isothermal Aging and Rapid Thermal Cycling of Ag-Ni and Ag-CuO Stainless Steel to Zirconia Braze Joints

Silver—copper oxide brazes are commonly used to bond zirconia to stainless steel (SS) for Solid Oxide Fuel Cell (SOFC) and other high temperature joining applications. In fact, conventional Ag-CuO compositions (where Cu segregates to the surface, oxidizes, and reduces the silver wetting angle on zirconia from ~85 to ~40°) allow brazing to be performed in air. Unfortunately, the relatively high ~40° wetting angles of these reactive air brazes, and the ability of SOFC anode gases to reduce the CuO in them, produce pores during SOFC manufacturing and operation that reduce joint strength, impermeability, and longevity. Recently, Ag brazes utilizing transient porous nickel layers, instead of CuO additions, have been shown to produce high quality braze joints between SS and yttria stabilized zirconia (YSZ). Here, the microstructural and compositional evolution of SS|Ag-3CuO|YSZ and SS|Ag-Ni|YSZ braze joints exposed to air on one side and humidified 4%H 2 -96%N 2 on the other side for either ~300 hours of ~750°C aging or ~300 25°C/min 35–830°C rapid thermal cycles are compared. While both brazes display considerable microstructural and compositional evolution, only the Ag-Ni brazes remain pore free and well bonded, indicating that Ag-Ni brazes may be more suitable for long term SOFC operation.

25 ENERGY STORAGE↗
NASA NTRS1975

Study of growth of single crystal ribbon in space

The technical feasibility is studied of growing single-crystal silicon ribbon in the space environment. Procedures are described for calculating the electromagnetic fields produced in a silicon ribbon by an rf shaping coil. The forces on the ribbon and the degree of shaping to be expected are determined. The expected steady-state temperature distribution in the ribbon is calculated in the one-dimensional approximation. Calculations on simplified models indicate, that lack of flatness of the shaped ribbon and excessive heating of the melt by the eddy currents induced by the shaping fields may pose problems. An analysis of the relative effects of various kinds of forces other than electromagnetic showed that in the space environment capillarity forces would dominate, and that the shape of the melt is thus principally determined by the shape of any solids with which it comes in contact. This suggests that ribbon may be produced simply by drawing between parallel wires. A concept is developed for a process of off-angle growth, in which the ribbon is pulled at an angle to the solidification front. Such a process promises to offer increased growth rate, better homogeneity, and thinner ribbon.

Wood, V. E.↗
NASA NTRS1988

An analytical method for the ditching analysis of an airborne vehicle

A simple analytical method has been introduced for aerohydrodynamic load analysis of an airborne configuration during water ditching. The method employs an aerodynamic panel code, based on linear potential flow theory, to simulate the flow of air and water around an aircraft configuration. The free surface separating the air and water region is represented by doublet sheet singularities. Although all the theoretical load distributions are computed for air, provisions are made to correct the pressure coefficients obtained on the configuration wetted surfaces to account for the water density. As an analytical tool, the Vortex Separation Aerodynamic (VSAERO) code is chosen to carry out the present investigation. After assessing the validity of the method, its first application is to analyze the water ditching of the Space Shuttle configuration at a 12 degree attitude.

Pressure coefficient↗
NASA NTRS1990

Analytical method for the ditching analysis of an airborne vehicle

A simple analytical method has been introduced for aerohydrodynamic load analysis of an airborne configuration during water ditching. The method employs an aerodynamic panel code, based on linear potential flow theory, to simulate the flow of air and water around an aircraft configuration. The free surface separating the air and water region is represented by doublet" singularities. Although all the theoretical load distributions are computed for air, provisions are made to correct the pressure coefficients obtained on the configuration-wetted surfaces to account for the water density. As an analytical tool, a vortex aerodynamic code is chosen to carry out the present investigation. After assessing· the validity of the method, an application is presented for the water ditching of the Space Shuttle configuration at a 12-deg attitude.

Pressure coefficient↗
DOE OSTI2022

Progress Towards Extended Cycle Life Si-based Anodes: Investigation of Fluorinated Local High Concentration Electrolytes

Silicon (Si) anodes are promising candidates for Li-ion batteries due to their high specific capacity and low operating potential. Implementation has been challenged by the significant Si volume changes during (de)lithiation and associated growth/regrowth of the solid electrolyte interphase (SEI). In this report, fluorinated local high concentration electrolytes (FLHCEs) were designed such that each component of the electrolyte (solvent, salt, diluent) is fluorinated to modify the chemistry and stabilize the SEI of high (30%) silicon content anodes. FLHCEs were formulated to probe the electrolyte salt concentration and ratio of the fluorinated carbonate solvents to a hydrofluoroether diluent. Higher salt concentrations led to higher viscosities, conductivities, and contact angles on polyethylene separators. Electrochemical cycling of Si-graphite/NMC622 pouch cells using the FLHCEs delivered up to 67% capacity retention after 100 cycles at a C/3 rate. Post-cycling X-ray photoelectron spectroscopy (XPS) analyses of the Si-graphite anodes indicated the FLHCEs formed a LiF rich solid electrolyte interphase (SEI). The findings show that the fluorinated local high concentration electrolytes contribute to stabilizing the Si-graphite electrode over extended cycling.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Flow visualization and characterization of evaporating liquid drops

An optical system, consisting of drop-reflection image, reflection-refracted shadowgraphy and top-view photography, is used to measure the spreading and instant dynamic contact angle of a volatile-liquid drop on a non-transparent substrate. The drop-reflection image and the shadowgraphy is shown by projecting the images of a collimated laser beam partially reflected by the drop and partially passing through the drop onto a screen while the top view photograph is separately viewed by use of a camera video recorder and monitor. For a transparent liquid on a reflective solid surface, thermocapillary convection in the drop, induced by evaporation, can be viewed nonintrusively, and the drop real-time profile data are synchronously recorded by video recording systems. Experimental results obtained from this technique clearly reveal that evaporation and thermocapillary convection greatly affect the spreading process and the characteristics of dynamic contact angle of the drop.

Chao, David F.↗
DOE OSTI2015

A monomeric complex of ammonia and cuprous chloride: H{sub 3}N⋯CuCl isolated and characterised by rotational spectroscopy and ab initio calculations

The H{sub 3}N⋯CuCl monomer has been generated and isolated in the gas phase through laser vaporisation of a copper sample in the presence of low concentrations of NH{sub 3} and CCl{sub 4} in argon. The resulting complex cools to a rotational temperature approaching 2 K during supersonic expansion of the gas sample and is characterised by broadband rotational spectroscopy between 7 and 18.5 GHz. The spectra of six isotopologues are measured and analysed to determine rotational, B{sub 0}; centrifugal distortion, D{sub J}, D{sub JK}; and nuclear quadrupole coupling constants of Cu, Cl, and {sup 14}N nuclei, χ{sub aa} (X). The geometry of the complex is C{sub 3v} with the N, Cu, and Cl atoms located on the a inertial axis. Bond distances and the ∠(H —N⋯Cu) bond angle within the complex are precisely evaluated through fitting of geometrical parameters to the experimentally determined moments of inertia and through ab initio calculations at the CCSD(T)(F12*)/AVQZ level. The r(Cu —Cl), r(Cu —N), and ∠(H —N⋯Cu) parameters are, respectively, evaluated to be 2.0614(7) Å, 1.9182(13) Å, and 111.40(6)° in the r{sub 0} geometry, in good agreement with the ab initio calculations. Geometrical parameters evaluated for the isolated complex are compared with those established crystallographically for a solid-state sample of [Cu(NH{sub 3})Cl].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mononuclear transition metal adamantane-1-carboxylates

A procedure was developed for the synthesis of mononuclear first row transition metal coordination compounds with adamantane-1-carboxylate (AdCO{sub 2}), which allowed the synthesis of complexes NBu{sub 4}[M(AdCO{sub 2}){sub 3}], where M{sup II} = Mn, Ni, Co, Zn. The X-ray diffraction study showed that all AdCO{sub 2} act as chelating ligands, which is the main distinguishing structural feature of the synthesized compounds. The formation of four-membered metallocycles leads to a small O—M—O angle (58.4–63.0°), resulting in the distorted trigonal-prismatic environment of the central atom in the coordination anions [M(AdCO{sub 2}){sub 3}]{sup −}. Under similar conditions of the synthesis, Cu{sup II} forms the complex (NBu{sub 4}){sub 2}[Cu(AdCO{sub 2}){sub 2}(SO{sub 4})] existing in two differently colored modifications (green and light blue), which is due to a small difference in the environment of Cu{sup II} in the solid state. Upon heating above 150°C, the light blue modification is transformed into the green modification. Using 1,3-diphenyltriazene (HL), it was demonstrated that the developed synthetic approach is applicable to the preparation of compounds, in which the coordination anions [ML{sub 3}]{sup −} also contain only four-membered chelate metallocycles with the N—M—N angle tightened at the metal atom. The compounds NBu{sub 4}[ML{sub 3}], where M{sup II} = Co and Ni, were isolated in individual state and were structurally characterized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Study of solid rocket motors for a space shuttle booster, volume 2

Additional technical data have been prepared to supplement the data supplied in the SRM shuttle booster final report. These data cover performance characteristics utilizing motor efficiencies of 0.960 and 0.947 with nozzle divergence half angles of 15 deg and 20 deg, respectively; PBAN propellant characteristics; parametric data to extend baseline designs to varying states of SRM's; summary of SRM mass properties; and SRM exhaust plume profiles.

Source record↗
DOE OSTI2019

Signatures of Quantum Transport Steps in Bi{sub 2}Se{sub 3} Single Crystal

We report signatures of quantum magneto transport steps in a Bi{sub 2}Se{sub 3} single crystal. The Bi{sub 2}Se{sub 3} crystal is grown by self-flux method through solid-state reaction. Details of its structural analysis along with physical properties in terms of low temperature and high field transport, thermal (heat capacity), Raman, X-ray photo electron and angle resolved photo electron spectroscopy were reported earlier (J. Sup. Novel. Mag. 30, 2031 2017). In a present short letter, we show the details of its 2 K and up to 14 Tesla magneto transport, exhibiting quantum transport (QT) like steps above say 11 Tesla field. The possible QT steps cannot be modelled with the SdH (Shubnikov-de Haas) or other possible quantum oscillations. The observed QT like steps are possibly the result of the mixed out-of-plane R{sub xy}(H) and in-plane R{sub xx}(H) contributions from the misaligned [00l] planes of the studied crystal and this may happen with other studied topological insulator (TI) crystals as well. Our careful assessment of crystal XRD data shows the same.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Solution and Solid State Structural Chemistry of Th(IV) and U(IV) 4-Hydroxybenzoates

Organic ligands with carboxylate functionalities have been shown to affect the solubility, speciation, and overall chemical behavior of tetravalent metal ions. While many reports have focused on actinide complexation by relatively simple monocarboxylates such as amino acids, here we examined Th(IV) and U(IV) complexation by 4-hydroxybenzoic acid in water with the aim of understanding the impact that the organic backbone has on the solution and solid state structural chemistry of thorium(IV) and uranium(IV) complexes. Two compounds of the general formula [An 6 O 4 (OH) 4 (H 2 O) 6 (4-HB) 12 ]· n H 2 O [An = Th ( Th-1 ) and U ( U-1 ); 4-HB = 4-hydroxybenzoate] were synthesized via roomtemperature reactions of AnCl 4 and 4-hydroxybenzoic acid in water. Solid state structures were determined by single-crystal X-ray diffraction, and the compounds were further characterized by Raman, infrared, and optical spectroscopies and thermogravimetry. The magnetism of U-1 was also examined. The structures of the Th and U compounds are isomorphous and are built from ligand-decorated oxo/hydroxo-bridged hexanuclear units. The relationship between the building units observed in the solid state structure of U-1 and those that exist in solution prior to crystallization as well as upon dissolution of U-1 in nonaqueous solvents was investigated using small-angle X-ray scattering, ultraviolet-visible optical spectroscopy, and dynamic light scattering. The evolution of U solution speciation as a function of reaction time and temperature was examined. Such effects as well as the impact of the ligand on the formation and evolution of hexanuclear U(IV) clusters to UO 2 nanoparticles compared to prior reported monocarboxylate ligand systems are discussed. Unlike prior reported syntheses of Th and U(IV) hexamers where the pH was adjusted to ~2 and 3, respectively, to drive hydrolysis, hexamer formation with the HB ligand appears to be promoted only by the ligand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

({sup 18}O,{sup 18}Ne) double charge-exchange with MAGNEX

An experimental study concerning Double Gamow-Teller (DGT) modes in ({sup 18}O,{sup 18}Ne) Double Charge-Exchange reactions has been very recently performed at INFN-LNS laboratory in Catania. The experiment was performed using a {sup 40}Ca solid target and a {sup 18}O Cyclotron beam at 270 MeV incident energy. Charged ejectiles produced in the reaction were momentum analyzed and identified by MAGNEX spectrometer at very forward angles. Preliminary results are presented in the present paper.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Pressure Response Optimization of an Eddy Current-Driven Flyer Plate Valve for the ITER Shattered Pellet Injection System

One technique for mitigating disruptions in a tokamak is shattered pellet injection (SPI). SPI is a process in which a large solid pellet consisting of deuterium, neon, or argon is desublimated in a pipe gun barsrel and launched downstream. Pellets are shattered just before entering the plasma by an impact with an angled tube. Injection of these materials into the plasma radiates stored thermal energy, limits current decay rates, suppresses the generation of runaway electrons, and dissipates runaway electrons if necessary. A critical element of the SPI system is a fast-acting valve that releases high-pressure gas to dislodge and accelerate pellets directly, or indirectly via a mechanical punch. A prototype valve sized for the ITER SPI system has been designed and fabricated. A pulsed high-voltage power supply energizes the valve’s internal magnetic coil, which induces eddy currents in the adjacent flyer plate resulting in a repulsive force between the flyer plate and the coil. The flyer plate action lifts a valve seat, allowing high-pressure gas to flow from the valve plenum to the downstream (breech) location of the pellet or mechanical punch. All of the valve’s internal components are designed to operate in ITER-level static background magnetic fields. Here, a study was conducted to optimize the downstream pressure response for a range of valve sizes and operating pressures. In particular, the study analyzes the breech pressure response associated with varying plenum pressures as well as varying breech volumes. A computational fluid dynamics simulation was built in STAR-CCM+ and validated against data from laboratory experiments. The resulting simulation outputs, in the form of downstream responses for a variety of initial plenum pressures and breech volumes, will be used as a complement to experimental data to ensure the pressure pulse is suitable for pellet survivability. These data, combined with studies on pellet shear strength and shock response, will be applied to optimization of overall operating parameters of the ITER SPI system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗