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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Largely enhanced dielectric properties of carbon nanotubes/polyvinylidene fluoride binary nanocomposites by loading a few boron nitride nanosheets

The ternary nanocomposites of boron nitride nanosheets (BNNSs)/carbon nanotubes (CNTs)/polyvinylidene fluoride (PVDF) are fabricated via a combination of solution casting and extrusion-injection processes. The effects of BNNSs on the electrical conductivity, dielectric behavior, and microstructure changes of CNTs/PVDF binary nanocomposites are systematically investigated. A low percolation value (f{sub c}) for the CNTs/PVDF binary system is obtained due to the integration of solution and melting blending procedures. Two kinds of CNTs/PVDF binary systems with various CNTs contents (f{sub CNTs}) as the matrix are discussed. The results reveal that compared with CNTs/PVDF binary systems at the same f{sub CNTs}, the ternary BNNSs/CNTs/PVDF nanocomposites exhibit largely enhanced dielectric properties due to the improvement of the CNTs dispersion state and the conductive network. The dielectric constant of CNTs/PVDF binary nanocomposite with 6 vol. % CNTs (f{sub CNTs} < f{sub c}) shows a 79.59% enhancement from 49 to 88 after the incorporation of 3 vol. % BNNSs. For the other CNTs/PVDF system with 8 vol. % CNTs (f{sub CNTs} > f{sub c}), it displays a 43.32% improvement from 1325 to 1899 after the addition of 3 vol. % BNNSs. The presence of BNNSs facilitates the formation of the denser conductive network. Meanwhile, the ternary BNNSs/CNTs/PVDF systems exhibit a low dielectric loss. The adjustable dielectric properties could be obtained by employing the ternary systems due to the microstructure changes of nanocomposites.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Mechanical and optical response of [100] lithium fluoride to multi-megabar dynamic pressures

An understanding of the mechanical and optical properties of lithium fluoride (LiF) is essential to its use as a transparent tamper and window for dynamic materials experiments. In order to improve models for this material, we applied iterative Lagrangian analysis to ten independent sets of data from magnetically driven planar shockless compression experiments on single crystal [100] LiF to pressures as high as 350 GPa. We found that the compression response disagreed with a prevalent tabular equation of state for LiF that is commonly used to interpret shockless compression experiments. We also present complementary data from ab initio calculations performed using the diffusion quantum Monte Carlo method. The agreement between these two data sets lends confidence to our interpretation. In order to aid in future experimental analysis, we have modified the tabular equation of state to match the new data. We have also extended knowledge of the optical properties of LiF via shock-compression and shockless compression experiments, refining the transmissibility limit, measuring the refractive index to ~300 GPa, and confirming the nonlinear dependence of the refractive index on density. Lastly, we present a new model for the refractive index of LiF that includes temperature dependence and describe a procedure for correcting apparent velocity to true velocity for dynamic compression experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Mechanical response of lithium fluoride under off-principal dynamic shock-ramp loading

Single crystal lithium fluoride (LiF), oriented [100], was shock loaded and subsequently shocklessly compressed in two experiments at the Z Machine. We employed velocimetry measurements in order to obtain an impactor velocity, shock transit times, and in-situ particle velocities for LiF samples up to ~1.8 mm thick. We also performed a dual thickness Lagrangian analysis on the in-situ velocimetry data to obtain the mechanical response along the loading path of these experiments. Finally, we observed an elastic response on one experiment during initial shockless compression from 100 GPa before yielding. The relatively large thickness differences utilized for the dual sample analyses (up to ~1.8 mm) combined with a relative timing accuracy of ~0.2 ns resulted in an uncertainty of less than 1% on density and stress at ~200 GPa peak loading on one experiment and <4% on peak loading at ~330 GPa for another. The stress-density analyses from these experiments compare favorably with recent equation of state models for LiF.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride

Uranyl fluoride (UO 2 F 2 ) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2 F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction on vibrational frequencies, electronic structure, and geometry of anhydrous UO 2 F 2 . A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2 F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2019

Refractive index of lithium fluoride to 900 gigapascal and implications for dynamic equation of state measurements

Lithium fluoride (LiF) is a unique crystal possessing the largest reported bandgap of any material and is predicted to remain transparent to visible light under stresses in excess of 1000 GPa. Dynamic compression experiments often utilize LiF as a window material to maintain stress on a sample while enabling direct measurements of interface velocity. However, typical velocimetry diagnostics measure changes in the optical path length; therefore, an accurate understanding of LiF’s equation of state and refractive index is needed. Here, we present a measurement of the LiF refractive index up to 900 GPa from a low-temperature ramp-compression experiment at the National Ignition Facility. To demonstrate propagation of optical uncertainty from this work to equation of state measurements, simulations in which a tin–LiF interface reaches a peak stress of 825 GPa show that the principal isentrope of tin can be determined up to 1450 GPa with a 1.2% uncertainty in density while considering uncertainties in the optical response of LiF.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermal conductance of aluminum oxy-fluoride passivation layers

Here, the thermal properties of plasma-generated aluminum oxyfluoride passivation layers at the surface of aluminum thin films are measured. The oxyfluoride layers are generated using plasmas produced in mixtures of NH 3 and SF 6 to simultaneously remove oxygen and add fluorine to the aluminum surface, an alternative approach to the more conventional two-step methods that utilize HF treatments to remove the native oxide followed by metal-fluoride (e.g., MgF 2 , LiF, and AlF 3 ) thin film deposition that serves to protect the aluminum surface from further oxidation. Here, the change in thermal properties of the layers as a function of plasma processing time is determined. A significant reduction in thermal boundary conductance is measured with the increasing treatment time, which can be related to the increasing fluorine content in the layers. Acoustic reflection measurements suggest this reduced thermal boundary conductance is related to lower bonding strength to aluminum with increasing fluorine.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sound speed measurements in lithium fluoride single crystals shock compressed to 168 GPa along [100]

The shock wave response of [100] lithium fluoride (LiF) single crystals at high stresses is of long-standing interest due to their extensive use as optical windows in dynamic compression experiments. The report of melting in shock compressed LiF single crystals between 134 GPa and 152 GPa – based on a single sound speed datum [J. Appl. Phys. 117, 045901 (2015)] – was surprising because good optical transmission was previously demonstrated in LiF shock compressed to ~200 GPa [J. Appl. Phys. 116, 033515 (2014)]. To address these apparent differences, we report on plate impact experiments on [100] LiF single crystals shock compressed to 168 GPa. Wave profiles were measured using laser interferometry to determine Hugoniot states and longitudinal sound speeds in shock compressed LiF. The measured Hugoniot states are in good agreement with those measured in previous studies. However, the measured sound speeds presented here show no evidence of melting up to 168 GPa. In particular, the abrupt drop reported previously in sound speed at 152 GPa was not observed in the present work. Furthermore, our results establish a lower bound of 168 GPa for the onset of melting in shock compressed LiF single crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Tuning superconductivity of Bi 2 Sr 2 CaCu 2 O 8+x by fluoride ion intercalation with LaF 3 gate dielectric

Here, we demonstrate fluorine intercalation into Bi 2 Sr 2 CaCu 2 O 8+x (BSCCO) flakes, as thick as 100 nm, by back-gating a single crystalline LaF 3 substrate. Element-sensitive analysis not only confirms the presence of fluorine in BSCCO after gating but also reveals lateral diffusion of fluorine in BSCCO. Transport measurements further demonstrate the hole-doping effect of fluoride ions in BSCCO through effective modulation of the superconducting transitions. Our work introduces a distinct type of ions (F - ) that can be intercalated into materials via solid state back-gating. It broadens the toolbox of ion back-gating and is useful for addressing exotic phenomena in the heavily hole doped regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

A Critical Review of Fluoride Salt Heat Transfer

Interest in molten salts for next-generation nuclear reactors has given rise increasing design work over the last several years. Much of this builds off historic heat transfer experiments like those of the Molten Salt Reactor Program; yet, there is no comprehensive report covering experimental heat transfer in these fluids. This paper attempts to pull together all available reports on fluoride salt heat transfer to aid further research in this area. The data largely support the hypothesis that molten salt heat transfer will be easy to predict so long as salt properties are well known. Our work does not show any consistent indications of resistive films, entrained gases, or radiation heat transfer, but other unknowns are present. In addition to salt properties, these include unusual mass transfer and transition flow conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Neutronics and Thermo-Fluids Simulation of Generic Pebble-Bed Fluoride-Salt-Cooled High-Temperature Reactor

The fluoride-salt-cooled high-temperature reactor (FHR) is one of the advanced reactors that has been attracting considerable interest from both the research community and the nuclear industry. To help facilitate the nuclear community's familiarity with the FHR, Kairos Power has developed a generic FHR (gFHR) benchmark. In the research performed here, this benchmark was used to assess innovative modeling methods that combine stochastic and deterministic computer codes to perform the design and analysis of the gFHR. Further, the Monte Carlo code Serpent 2 was used to generate few-group cross sections that were then used in the neutron diffusion and thermal-fluids code AGREE to perform full-core neutronics and thermal-fluids steady-state and transient core analysis. The Argonne National Laboratory code SAM was then used to model the gFHR system and to simulate the load-follow operation of the gFHR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

HYDROGEN FLUORIDE IN HIGH-MASS STAR-FORMING REGIONS

Hydrogen fluoride (HF) has been established to be an excellent tracer of molecular hydrogen in diffuse clouds. In denser environments, however, the HF abundance has been shown to be approximately two orders of magnitude lower. We present Herschel/HIFI observations of HF J = 1-0 toward two high-mass star formation sites, NGC 6334 I and AFGL 2591. In NGC 6334 I the HF line is seen in absorption in foreground clouds and the source itself, while in AFGL 2591 HF is partially in emission. We find an HF abundance with respect to H{sub 2} of 1.5 Multiplication-Sign 10{sup -8} in the diffuse foreground clouds, whereas in the denser parts of NGC 6334 I we derive a lower limit on the HF abundance of 5 Multiplication-Sign 10{sup -10}. Lower HF abundances in dense clouds are most likely caused by freezeout of HF molecules onto dust grains in high-density gas. In AFGL 2591, the view of the hot core is obstructed by absorption in the massive outflow, in which HF is also very abundant (3.6 Multiplication-Sign 10{sup -8}) due to the desorption by sputtering. These observations provide further evidence that the chemistry of interstellar fluorine is controlled by freezeout onto gas grains.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Cluster synthesis of monodisperse rutile-TiO2 nanoparticles and dielectric TiO2-vinylidene fluoride oligomer nanocomposites

The embedding of oxide nanoparticles in polymer matrices produces a greatly enhanced dielectric response by combining the high dielectric strength and low loss of suitable host polymers with the high electric polarizability of nanoparticles. The fabrication of oxide-polymer nanocomposites with well-controlled distributions of nanoparticles is, however, challenging due to the thermodynamic and kinetic barriers between the polymer matrix and nanoparticle fillers. In the present study, monodisperse TiO2 nanoparticles having an average particle size of 14.4 nm and predominant rutile phase were produced using a cluster-deposition technique without high-temperature thermal annealing and subsequently coated with uniform vinylidene fluoride oligomer (VDFO) molecules using a thermal evaporation source, prior to deposition as TiO2-VDFO nanocomposite films on suitable substrates. The molecular coatings on TiO2 nanoparticles serve two purposes, namely to prevent the TiO2 nanoparticles from contacting each other and to couple the nanoparticle polarization to the matrix. Parallel-plate capacitors made of TiO2-VDFO nanocomposite film as the dielectric exhibit minimum dielectric dispersion and low dielectric loss. Dielectric measurements also show an enhanced effective dielectric constant in TiO2-VDFO nanocomposites as compared to that of pure VDFO. This study demonstrates for the first time a unique electroactive particle coating in the form of a ferroelectric VDFO that has high-temperature stability as compared to conventionally used polymers for fabricating dielectric oxide-polymer nanocomposites.

Balasubramanian, B↗
DOE OSTI2011

DISCOVERY OF HYDROGEN FLUORIDE IN THE CLOVERLEAF QUASAR AT z = 2.56

We report the first detection of hydrogen fluoride (HF) toward a high-redshift quasar. Using the Caltech Submillimeter Observatory, we detect the HF J = 1-0 transition in absorption toward the Cloverleaf, a broad absorption line quasi-stellar object at z = 2.56. The detection is statistically significant at the {approx}6{sigma} level. We estimate a lower limit of 4 Multiplication-Sign 10{sup 14} cm{sup -2} for the HF column density and using a previous estimate of the hydrogen column density, we obtain a lower limit of 1.7 Multiplication-Sign 10{sup -9} for the HF abundance. This value suggests that, assuming a Galactic N(HF)/N{sub H} ratio, HF accounts for at least {approx}10% of the fluorine in the gas phase along the line of sight to the Cloverleaf quasar. This observation corroborates the prediction that HF should be a good probe of the molecular gas at high redshift. Measurements of the HF abundance as a function of redshift are urgently needed to better constrain the fluorine nucleosynthesis mechanism(s).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Refractive index of lithium fluoride at high dynamic stresses

Alkali halides are prototypical ionic solids whose refractive index is a fundamental property related to their lattice structure and ionic polarizability. In particular, lithium fluoride (LiF) has the largest band gap of any known transparent material and maintains transparency at high pressures, making it well suited for use as an optical window in dynamic compression experiments. While empirical fits to the measured density dependence of the refractive index have been provided, a model that is valid over the entire pressure range of experiments and based on a polarization-based theoretical description is lacking. We present a refractive index model for dynamically compressed LiF based on the Lorentz-Lorenz equation, where the molecular polarizability is determined using a single oscillator model with a strain polarizability parameter Λ=0.73. Here, we show that our modeling approach provides an excellent match to the LiF refractive index data for both shock and ramp compression experiments to 900 GPa (density compression greater than threefold). Additionally, updated fits are provided to determine the refractive index correction for LiF windows used in dynamic compression experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Simulation of the Electronic Structure of Graphene–Polyvinylidene Fluoride Composite Material

Theoretical models of shockproof composite materials based on two-layer graphenes and multilayer polyvinylidene fluoride C{sub 124}H{sub 40} + n(H–(C{sub 2}H{sub 2}F{sub 2}){sub 5}–H) (n = (1, 8)-bar ) are constructed. The electronic structure is studied using the semiempirical PM3 method that is one of version of the molecular orbital method. The orbital energies, ionization potentials, total electron energies, strength, and other properties of the considered material are calculated based on the theoretical models. The outlooks for application of these materials in the military field for manufacturing superstrong and lightweight flak jackets are considered.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Nuclear recoil detection with color centers in bulk lithium fluoride

We present initial results on the detection of nuclear recoils in lithium fluoride (LiF) through the fluorescence of color centers created by particle interactions in the crystal lattice. Using light-sheet fluorescence microscopy, we image nuclear recoil tracks from both fast and thermal neutron interactions deep within a cubic-centimeter-scale sample. Automated three-dimensional feature extraction based on machine-learning tools enables the identification and classification of individual events. We observe that the fluorescence response of LiF to gamma irradiation is strongly suppressed, by a factor of 30–50 compared to neutron exposure, demonstrating intrinsic insensitivity to electromagnetic backgrounds. The observed and simulated event characteristics are consistent, including their number, size, and topology. These results establish the feasibility of LiF as a scalable detection medium for rare nuclear-recoil events and constitute a first step toward 10–1000 g scale detectors with single-event sensitivity for applications in reactor-neutrino detection, neutron spectroscopy, and dark matter searches.

Aroujo, G R [University of Zurich]↗
DOE OSTI2024

Stability of a Ni/NiF 2 Reference Electrode with a Metallic Membrane for Use in Molten Fluoride Salts

In this study, an experimental high-temperature fluoride salt reference electrode (RE) developed by HiFunda LLC was tested in molten FLiNaK at 550 °C. The high-temperature reference electrode (HTRE), based on the Ni/NiF 2 redox couple, was tested over a period of 13 d for short-term stability, long-term stability, and electrochemical analysis capabilities. The HTRE was tested using open circuit potentiometry (OCP), cyclic voltammetry (CV), square wave voltammetry (SWV), and electrochemical impedance spectroscopy (EIS). The HTRE reference potential was measured against changes in salt composition by increasing FeF 2 concentrations in the melt across six additions from 0 to 0.1 mol% FeF 2 . The long-term stability of the electrode was then tested over ten days at a constant composition of 0.1 mol% FeF 2 . OCP, SWV, and CV were used to calculate an average potential drift between 7–10 mV per day. Using CV and SWV, the number of electrons transferred for iron reduction and the diffusion coefficient of Fe 2+ were measured.

Electrochemistry↗
DOE OSTI2021

Laser refrigeration of optically levitated sodium yttrium fluoride nanocrystals

Solid state laser refrigeration can cool optically levitated nanocrystals in an optical dipole trap, allowing for internal temperature control by mitigating photothermal heating. This work demonstrates cooling of ytterbium-doped cubic sodium yttrium fluoride nanocrystals to 252 K on average with the most effective crystal cooling to 241 K. The amount of cooling increases linearly with the intensity of the cooling laser and is dependent on the pressure of the gas surrounding the nanocrystal. Furthermore, cooling optically levitated nanocrystals allows for crystals prone to heating to be studied at lower pressures than currently achievable and for temperature control and stabilization of trapped nanocrystals

36 MATERIALS SCIENCE↗