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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Self-Trapped Excitons in Ionic-Covalent Silver Halide Crystals and Nanostructures: High-Frequency EPR, ESE, ENDOR and ODMR Studies

Silver halides have unique features in solid state physics because their properties are considered to be of borderline nature between ionic and covalent bonding. In AgCl, the self-trapped hole (STH) is centered and partly trapped in the cationic sublattice, forming an Ag 2+ ion inside of a (AgCl 6 ) 4- complex as a result of the Jahn–Teller distortion. The STH in AgCl can capture an electron from the conduction band forming the self-trapped exciton (STE). Recent results of a study of STE by means of high-frequency electron paramagnetic resonance, electron spin echo, electron–nuclear double resonance (ENDOR) and optically detected magnetic resonance (ODMR) are reviewed. The properties of the STE in AgCl crystals, such as exchange coupling, the ordering of the triplet and singlet sublevels, the dynamical properties of the singlet and triplet states, and the hyperfine interaction with the Ag and Cl (Br) nuclei are discussed. Direct information about the spatial distribution of the wave function of STE unpaired electrons was obtained by ENDOR. From a comparison with the results of an ENDOR study of the shallow electron center and STH, it is concluded that the electron is mainly contained in a hydrogen-like 1s orbital with a Bohr radius of 15.1 ± 0.6 Å , but near its center the electron density reflects the charge distribution of the hole. The hole of the STE is virtually identical to an isolated STH center. For AgCl nanocrystals embedded into the KCl crystalline matrix, the anisotropy of the g-factor of STE and STH was found to be substantially reduced compared with that of bulk AgCl crystals, which can be explained by a considerable suppression of the Jahn–Teller effect in nanoparticles. A study of ODMR in AgBr nanocrystals in KBr revealed spatial confinement effects and allowed estimating the nanocrystal size from the shape of the ODMR spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

First Observation of Low-Temperature Magnetic Transition in CuAgSe

In this Article, the temperature-dependent magnetic properties of CuAgSe pellet sintered from surfactant-free CuAgSe nanoparticles synthesized by a wet chemistry method were investigated in the temperature range of 4–300 K. A magnetic transition between diamagnetism and weak ferromagnetism is observed at around 60–70 K. The results from magnetic measurements under different machines/magnetic fields, room-temperature X-ray photoelectron spectroscopy, and temperature-dependent nuclear magnetic resonance all demonstrate that this magnetic transition is an intrinsic property rather than an effect of impurities. Combining these results with temperature-dependent neutron diffraction, the origin of the weak ferromagnetism is ascribed to a structural crossover-induced canted antiferromagnetism and possible deviation of Cu valence. In conclusion, the transition is strongly dependent on the sintering temperature and pressure, which could induce the structural phase transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Direct Observation of Ammonia Storage in UiO-66 Incorporating Cu(II) Binding Sites

The presence of active sites in metal–organic framework (MOF) materials can control and affect their performance significantly in adsorption and catalysis. However, revealing the interactions between the substrate and active sites in MOFs at atomic precision remains a challenging task. Here, we report the direct observation of binding of NH 3 in a series of UiO-66 materials containing atomically dispersed defects and open Cu(I) and Cu(II) sites. While all MOFs in this series exhibit similar surface areas (1111–1135 m 2 g –1 ), decoration of the -OH site in UiO-66-defect with Cu(II) results in a 43% enhancement of the isothermal uptake of NH 3 at 273 K and 1.0 bar from 11.8 in UiO-66-defect to 16.9 mmol g –1 in UiO-66-Cu II . A 100% enhancement of dynamic adsorption of NH 3 at a concentration level of 630 ppm from 2.07 mmol g –1 in UiO-66-defect to 4.15 mmol g –1 in UiO-66-Cu II at 298 K is observed. In situ neutron powder diffraction, inelastic neutron scattering, and electron paramagnetic resonance, solid-state nuclear magnetic resonance, and infrared spectroscopies, coupled with modeling reveal that the enhanced NH 3 uptake in UiO-66-Cu II originates from a {Cu(II)···NH 3 } interaction, with a reversible change in geometry at Cu(II) from near-linear to trigonal coordination. This work represents the first example of structural elucidation of NH 3 binding in MOFs containing open metal sites and will inform the design of new efficient MOF sorbents by targeted control of active sites for NH 3 capture and storage.

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

Engineering of gadofluoroprobes: Broad-spectrum applications from cancer diagnosis to therapy

The engineering of the Gadolinium based nanostructures have been demonstrated in this paper. Nanostructures of α-Gd{sub 2}S{sub 3} exhibit a unique transition between ferromagnetic state and paramagnetic state of the system. It was demonstrated that their properties could be tuned for a wide range of applications ranging from hyperthermia to Magnetic Resonance Imaging, owing to their magnetic moments and large relaxivities. Metallic Gd nanoparticles obtained by reduction method were employed for cancer imaging in mice. The Gd nanoparticles were coated with Curcumin and their biomedical implications in the field of simultaneous diagnosis and therapy of cancer and related diseases has been discussed.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Dynamics of spintronic materials: Exploration in the time and frequency domain

X-ray and neutron reflectivity are mature experimental techniques for the exploration of film thicknesses and interface roughnesses on the nanoscale. Combining with photon and neutron polarization, these methods can be carried forward to the analysis of magnetic thin films and magnetic domain structures. New opportunities open up when these methods are used either in the time or in the frequency domain. Then dynamical processes can be studied such as domain oscillations, domain propagation, precession of spins, and damping effects. Two methods are discussed which have been developed recently: polarized neutron reflectivity from magnetic films in an alternating magnetic field and time resolved resonant magnetic x-ray reflectivity of the free precessional dynamics in films and multilayers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

ALICE—An advanced reflectometer for static and dynamic experiments in magnetism at synchrotron radiation facilities

We report on significant developments of a high vacuum reflectometer (diffractometer) and spectrometer for soft x-ray synchrotron experiments which allows conducting a wide range of static and dynamic experiments. Although the chamber named ALICE was designed for the analysis of magnetic hetero- and nanostructures via resonant magnetic x-ray scattering, the instrument is not limited to this technique. The versatility of the instrument was testified by a series of pilot experiments. Static measurements involve the possibility to use scattering and spectroscopy synchrotron based techniques (photon-in photon-out, photon-in electron-out, and coherent scattering). Dynamic experiments require either laser or magnetic field pulses to excite the spin system followed by x-ray probe in the time domain from nano- to femtosecond delay times. In this temporal range, the demagnetization/remagnetization dynamics and magnetization precession in a number of magnetic materials (metals, alloys, and magnetic multilayers) can be probed in an element specific manner. We demonstrate here the capabilities of the system to host a variety of experiments, featuring ALICE as one of the most versatile and demanded instruments at the Helmholtz Center in Berlin-BESSY II synchrotron center in Berlin, Germany.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Chemical Analysis of Fluorobenzenes via Multinuclear Detection in the Strong Heteronuclear J-Coupling Regime

Chemical analysis via nuclear magnetic resonance (NMR) spectroscopy using permanent magnets, rather than superconducting magnets, is a rapidly developing field. Performing the NMR measurement in the strong heteronuclear J-coupling regime has shown considerable promise for the chemical analysis of small molecules. Typically, the condition for the strong heteronuclear J-coupling regime is satisfied at µT magnetic field strengths and enables high resolution J-coupled spectra (JCS) to be acquired. However, the JCS response to systematic chemical structural changes has largely not been investigated. In this report, we investigate the JCS of C6H6−xFx (x = 0, 1, 2, …, 6) fluorobenzene compounds via simultaneous excitation and detection of 19F and 1H at 51.5 µT. The results demonstrate that JCS are quantitative, and the common NMR observables, including Larmor frequency, heteronuclear and homonuclear J-couplings, relative signs of the J-coupling, chemical shift, and relaxation, are all measurable and are differentiable between molecules at low magnetic fields. The results, corroborated by ab initio calculations, provide new insights into the impact of chemical structure and their corresponding spin systems on JCS. In several instances, the JCS provided more chemical information than traditional high field NMR, demonstrating that JCS can be used for robust chemical analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Advanced helium magnetometer for space applications

The goal of this effort was demonstration of the concepts for an advanced helium magnetometer which meets the demands of future NASA earth orbiting, interplanetary, solar, and interstellar missions. The technical effort focused on optical pumping of helium with tunable solid state lasers. We were able to demonstrate the concept of a laser pumped helium magnetometer with improved accuracy, low power, and sensitivity of the order of 1 pT. A number of technical approaches were investigated for building a solid state laser tunable to the helium absorption line at 1083 nm. The laser selected was an Nd-doped LNA crystal pumped by a diode laser. Two laboratory versions of the lanthanum neodymium hexa-aluminate (LNA) laser were fabricated and used to conduct optical pumping experiments in helium and demonstrate laser pumped magnetometer concepts for both the low field vector mode and the scalar mode of operation. A digital resonance spectrometer was designed and built in order to evaluate the helium resonance signals and observe scalar magnetometer operation. The results indicate that the laser pumped sensor in the VHM mode is 45 times more sensitive than a lamp pumped sensor for identical system noise levels. A study was made of typical laser pumped resonance signals in the conventional magnetic resonance mode. The laser pumped sensor was operated as a scalar magnetometer, and it is concluded that magnetometers with 1 pT sensitivity can be achieved with the use of laser pumping and stable laser pump sources.

Slocum, Robert E.↗
DOE OSTI2010

Study of Fe-Co Nanocomposite Films

Moessbauer study of nanogranular ferromagnetic FeCo films is presented. Two ways of production of nanocomposite systems were employed: (i) hollow cathode plasma jet deposition process, and (ii) laser ablation from Fe-Co metallic targets by means of a KrF excimer laser and r.f. magnetron sputtering. Complementary information on the composition of the samples were obtained by nuclear magnetic resonance of {sup 57}Fe and {sup 59}Co nuclei, conversion electron Moessbauer spectroscopy, and high resolution transmission electron microscopy. The films contain crystalline nanoparticles, 5-20 nm in size, embedded in an amorphous matrix.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2011

Heavy doping of H{sup -} ion in 12CaO.7Al{sub 2}O{sub 3}

12CaO.7Al{sub 2}O{sub 3} (C12A7, mayenite), which has a nanoscale porous structure that can accommodate extraframework species such as hydride (H{sup -}), oxide (O{sup 2-}), hydroxide (OH{sup -}) ions, and electrons, has been doped with H{sup -} ions to investigate its effects as dominant extraframework species. Chemical doping with CaH{sub 2} enables the concentration of H{sup -} ions to reach almost the theoretical maximum. The concentration of H{sup -} ions is characterized by optical absorption intensity ascribed to photoionization of H{sup -} ions, and {sup 1}H magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy. Persistent electron generation, which is accompanied by the formation of an F{sup +} absorption band and electrical conductivity, by irradiation with ultraviolet light at room temperature increases as the H{sup -} ion doping increases until it reaches half the theoretical maximum and then decreases as the H{sup -} ion concentration increases further. This dependence indicates that both H{sup -} and O{sup 2-} ions are necessary for the generation of persistent electrons. - Graphical abstract: CaH{sub 2} reduction markedly enhances H{sup -} ion doping in 12CaO.7Al{sub 2}O{sub 3}. The H{sup -} ion incorporation is evaluated using optical absorption and {sup 1}H-MAS-NMR spectra. Both H{sup -} and O{sup 2-} ions are responsible for photogeneration of electrons. Highlights: > CaH{sub 2} reduction markedly enhances H{sup -} ion doping in 12CaO.7Al{sub 2}O{sub 3}. {yields}The H{sup -} ion incorporation is evaluated using optical absorption and {sup 1}H-MAS-NMR spectra. > Both H{sup -} and O{sup 2-} ions are responsible for photogeneration of electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies

The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis of the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane, vesicles can be observed. These 2D ELDOR experiments are performed as a function of mixing time, T{sub m}, i.e., the time between the second and third π/2 pulses, which provides a third dimension. In fact, a fourth dimension may be added by varying the ESR frequency/magnetic field combination. Therefore, (3) it is shown how continuous-wave multifrequency ESR studies enable the decomposition of complex dynamics of, e.g., proteins by virtue of their respective time scales. These studies motivate our current efforts that are directed to extend 2D ELDOR to higher frequencies, 95 GHz in particular (from 9 and 17 GHz), in order to enable multi-frequency 2D ELDOR. This required the development of quasi-optical methods for performing the mm-wave experiments, which are summarized. We demonstrate state-of-the-art 95 GHz 2D ELDOR spectroscopy through its ability to resolve the two signals from a spin probe dissolved in both the lipid phase and the coexisting aqueous phase. As current 95 GHz experiments are restricted by limited spectral coverage of the π/2 pulse, as well as the very short T{sub 2} relaxation times of the electron spins, we discuss how these limitations are being addressed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bifurcation from L-mode to internal transport barrier triggered by a magnetic island in tokamak plasmas

Magnetic islands are believed to be responsible for triggering the internal transport barrier (ITB) around the rational surface and hence improves confinement in magnetic confinement fusion plasma, for more than two decades. Although some recent theoretical or modelling works support this hypothesis, the direct experimental demonstration on the ITB triggered by a magnetic island is still missing. Here, we report the first experimental observation that the increase in the magnetic island width triggers the bifurcation of the plasma transport state from a low confinement mode (L-mode) to an ITB mode in tokamak plasma. At medium island widths, the bifurcation appears with a dithering phase, i.e. plasma transitions from L-mode to ITB or vice versa quasi-periodically. As the island width further increases, the dithering ITB transitions into a steady ITB. The electron temperature gradient inside the ITB increases with island width. The trigger of the ITB and further enhancement of the ITB performance are also demonstrated by locking the island via applying a resonant magnetic perturbation field. The reduction of density fluctuations in the ITB region is observed and indicates turbulence suppression during ITB formation. These findings offer new insights for understanding ITB formation and robust ITB control.

internal transport barrier↗
DOE OSTI2012

Use of thermal analysis techniques (TG-DSC) for the characterization of diverse organic municipal waste streams to predict biological stability prior to land application

Highlights: Black-Right-Pointing-Pointer Thermal analysis was used to assess stability and composition of organic matter in three diverse municipal waste streams. Black-Right-Pointing-Pointer Results were compared with C mineralization during 90-day incubation, FTIR and {sup 13}C NMR. Black-Right-Pointing-Pointer Thermal analysis reflected the differences between the organic wastes before and after the incubation. Black-Right-Pointing-Pointer The calculated energy density showed a strong correlation with cumulative respiration. Black-Right-Pointing-Pointer Conventional and thermal methods provide complimentary means of characterizing organic wastes. - Abstract: The use of organic municipal wastes as soil amendments is an increasing practice that can divert significant amounts of waste from landfill, and provides a potential source of nutrients and organic matter to ameliorate degraded soils. Due to the high heterogeneity of organic municipal waste streams, it is difficult to rapidly and cost-effectively establish their suitability as soil amendments using a single method. Thermal analysis has been proposed as an evolving technique to assess the stability and composition of the organic matter present in these wastes. In this study, three different organic municipal waste streams (i.e., a municipal waste compost (MC), a composted sewage sludge (CS) and a thermally dried sewage sludge (TS)) were characterized using conventional and thermal methods. The conventional methods used to test organic matter stability included laboratory incubation with measurement of respired C, and spectroscopic methods to characterize chemical composition. Carbon mineralization was measured during a 90-day incubation, and samples before and after incubation were analyzed by chemical (elemental analysis) and spectroscopic (infrared and nuclear magnetic resonance) methods. Results were compared with those obtained by thermogravimetry (TG) and differential scanning calorimetry (DSC) techniques. Total amounts of CO{sub 2} respired indicated that the organic matter in the TS was the least stable, while that in the CS was the most stable. This was confirmed by changes detected with the spectroscopic methods in the composition of the organic wastes due to C mineralization. Differences were especially pronounced for TS, which showed a remarkable loss of aliphatic and proteinaceous compounds during the incubation process. TG, and especially DSC analysis, clearly reflected these differences between the three organic wastes before and after the incubation. Furthermore, the calculated energy density, which represents the energy available per unit of organic matter, showed a strong correlation with cumulative respiration. Results obtained support the hypothesis of a potential link between the thermal and biological stability of the studied organic materials, and consequently the ability of thermal analysis to characterize the maturity of municipal organic wastes and composts.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1998

Low-field MRI of laser polarized noble gas

NMR images of laser polarized 3He gas were obtained at 21 G using a simple, homebuilt instrument. At such low fields magnetic resonance imaging (MRI) of thermally polarized samples (e.g., water) is not practical. Low-field noble gas MRI has novel scientific, engineering, and medical applications. Examples include portable systems for diagnosis of lung disease, as well as imaging of voids in porous media and within metallic systems.

Non-NASA Center↗
DOE OSTI2010

A novel nanostructured composite formed by interaction of copper octa(3-aminopropyl)octasilsesquioxane with azide ligands: Preparation, characterization and a voltammetric application

This study presents the preparation, characterization and application of copper octa(3-aminopropyl)octasilsesquioxane following its subsequent reaction with azide ions (ASCA). The precursor (AC) and the novel compound (ASCA) were characterized by Fourier transform infrared spectra (FTIR), nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), scanning electronic microscopy (SEM), X-ray diffraction (XRD), Thermogravimetric analyses and voltammetric technique. The cyclic voltammogram of the modified graphite paste electrode with ASCA (GPE-ASCA), showed one redox couple with formal potential (E{sub 1/2}{sup ox}) = 0.30 V and an irreversible process at 1.1 V (vs. Ag/AgCl; NaCl 1.0 M; v=20mVs{sup -1}). The material is very sensitive to nitrite concentrations. The modified graphite paste electrode (GPE-ASCA) gives a linear range from 1.0 x 10{sup -4} to 4.0 x 10{sup -3} mol L{sup -1} for the determination of nitrite, with a detection limit of 2.1 x 10{sup -4} mol L{sup -1} and the amperometric sensitivity of 8.04 mA/mol L{sup -1}.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Note: A fast pneumatic sample-shuttle with attenuated shocks

We describe a home-built pneumatic shuttle suitable for the fast displacement of samples in the vicinity of a highly sensitive atomic magnetometer. The samples are magnetized at 1 T using a Halbach assembly of magnets. The device enables the remote detection of free-induction-decay in ultra-low-field and zero-field nuclear magnetic resonance (NMR) experiments, in relaxometric measurements and in other applications involving the displacement of magnetized samples within time intervals as short as a few tens of milliseconds. Other possible applications of fast sample shuttling exist in radiological studies, where samples have to be irradiated and then analyzed in a cold environment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗