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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Current-induced spin torque resonance of magnetic insulators affected by field-like spin-orbit torques and out-of-plane magnetizations

The spin-torque ferromagnetic resonance (ST-FMR) in a bilayer system consisting of a magnetic insulator such as Y{sub 3}Fe{sub 5}O{sub 12} and a normal metal with spin-orbit interaction such as Pt is addressed theoretically. We model the ST-FMR for all magnetization directions and in the presence of field-like spin-orbit torques based on the drift-diffusion spin model and quantum mechanical boundary conditions. ST-FMR experiments may expose crucial information about the spin-orbit coupling between currents and magnetization in the bilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Huygens’ Metasurfaces Enabled by Magnetic Dipole Resonance Tuning in Split Dielectric Nanoresonators

Dielectric metasurfaces that exploit the different Mie resonances of nanoscale dielectric resonators are a powerful platform for manipulating electromagnetic fields and can provide novel optical behavior. Here in this work, we experimentally demonstrate independent tuning of the magnetic dipole resonances relative to the electric dipole resonances of split dielectric resonators (SDRs). By increasing the split dimension, we observe a blue shift of the magnetic dipole resonance toward the electric dipole resonance. Therefore, SDRs provide the ability to directly control the interaction between the two dipole resonances within the same resonator. For example, we achieve the first Kerker condition by spectrally overlapping the electric and magnetic dipole resonances and observe significantly suppressed backward scattering. Moreover, we show that a single SDR can be used as an optical nanoantenna that provides strong unidirectional emission from an electric dipole source.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A fast determination method for transverse relaxation of spin-exchange-relaxation-free magnetometer

We propose a fast and accurate determination method for transverse relaxation of the spin-exchange-relaxation-free (SERF) magnetometer. This method is based on the measurement of magnetic resonance linewidth via a chirped magnetic field excitation and the amplitude spectrum analysis. Compared with the frequency sweeping via separate sinusoidal excitation, our method can realize linewidth determination within only few seconds and meanwhile obtain good frequency resolution. Therefore, it can avoid the drift error in long term measurement and improve the accuracy of the determination. As the magnetic resonance frequency of the SERF magnetometer is very low, we include the effect of the negative resonance frequency caused by the chirp and achieve the coefficient of determination of the fitting results better than 0.998 with 95% confidence bounds to the theoretical equation. The experimental results are in good agreement with our theoretical analysis.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Quality factor assessment of finite-size all-dielectric metasurfaces at the magnetic dipole resonance

Recently there has been a large interest in achieving metasurface resonances with large quality factors. In this article, we examine metasurfaces that comprised a finite number of magnetic dipoles oriented parallel or orthogonal to the plane of the metasurface and determine analytic formulas for their resonances’ quality factors. These conditions are experimentally achievable in finite-size metasurfaces made of dielectric cubic resonators at the magnetic dipole resonance. Our results show that finite metasurfaces made of parallel (to the plane) magnetic dipoles exhibit low quality factor resonances with a quality factor that is independent of the number of resonators. More importantly, finite metasurfaces made of orthogonal (to the plane) magnetic dipoles lead to resonances with large quality factors, which ultimately depend on the number of resonators comprising the metasurface. In particular, by properly modulating the array of dipole moments by having a distribution of resonator polarizabilities, one can potentially increase the quality factor of metasurface resonances even further. These results provide design guidelines to achieve a sought quality factor applicable to any resonator geometry for the development of new devices such as photodetectors, modulators, and sensors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Transition Metal Dissolution Mechanisms and Impacts on Electronic Conductivity in Composite LiNi 0.5 Mn 1.5 O 4 Cathode Films

The high-voltage LiNi 0.5 Mn 1.5 O 4 (LNMO) spinel cathode material offers high energy density storage capabilities without the use of costly Co that is prevalent in other Li-ion battery chemistries (e.g., LiNi x Mn y Co z O 2 (NMC)). Unfortunately, LNMO-containing batteries suffer from poor cycling performance because of the intrinsically coupled processes of electrolyte oxidation and transition metal dissolution that occurs at high voltage. In this work, we use operando electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectroscopies to demonstrate that transition metal dissolution in LNMO is tightly coupled to HF formation (and thus, electrolyte oxidation reactions as detected with operando and in situ solution NMR), indicative of an acid-driven disproportionation reaction that occurs during delithiation (i.e., battery charging). Leveraging the temporal resolution (s-min) of magnetic resonance, we find that the LNMO particles accelerate the rate of LiPF 6 decomposition and subsequent Mn 2+ dissolution, possibly due to the acidic nature of terminal Mn-OH groups. X-ray photoemission electron microscopy (XPEEM) provides surface-sensitive and localized X-ray absorption spectroscopy (XAS) measurements, in addition to X-ray photoelectron spectroscopy (XPS), that indicate disproportionation is enabled by surface reconstruction upon charging, which leads to surface Mn 3+ sites on the LNMO particle surface that can disproportionate into Mn 2+ (dissolved) and Mn 4+ (s) . During discharge of the battery, we observe high quantities of metal fluorides (in particular, MnF 2 ) in the cathode electrolyte interphase (CEI) on LNMO as well as the conductive carbon additives in the composite. Electronic conductivity measurements indicate that the MnF 2 decreases film conductivity by threefold compared to LiF, suggesting that this CEI component may impede both the ionic and electronic properties of the cathode. Ultimately, to prevent transition metal dissolution and the associated side reactions in spinel-type cathodes (particularly those that operate at high voltages like LNMO), the use of electrolytes that offer improved anodic stability and prevent acid byproducts will likely be necessary.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electronic Structure of Fullerene Acceptors in Organic Bulk-Heterojunctions. A Combined EPR and DFT Study

Organic photovoltaic (OPV) devices are a promising alternative energy source. Attempts to improve their performance have focused on the optimization of electron-donating polymers, while electron-accepting fullerenes have received less attention. Here, we report an electronic structure study of the widely used soluble fullerene derivatives PC61BM and PC71BM in their singly reduced state, that are generated in the polymer:fullerene blends upon light-induced charge separation. Density functional theory (DFT) calculations characterize the electronic structures of the fullerene radical anions through spin density distributions and magnetic resonance parameters. The good agreement of the calculated magnetic resonance parameters with those determined experimentally by advanced electron paramagnetic resonance (EPR) allows the validation of the DFT calculations. Thus, for the first time, the complete set of magnetic resonance parameters including directions of the principal g-tensor axes were determined. For both molecules, no spin density is present on the PCBM side chain, and the axis of the largest g-value lies along the PCBM molecular axis. While the spin density distribution is largely uniform for PC61BM, it is not evenly distributed for PC71BM.

14 SOLAR ENERGY↗
DOE OSTI2024

Enhanced Activity from Coordinatively Unsaturated and Dynamic Zeolite-Bound Organoscandium Species

Scandium borohydride grafted into the micropores of the faujasite zeolite HY30 catalyzes the C–H borylation of benzene, whereas silica-grafted species are inactive. This catalytic activity may originate from grafting at a Brønsted acid site leading to a more electron-deficient rare earth center. Herein, we apply multinuclear double-resonance nuclear magnetic resonance (NMR) experiments to probe the structure and dynamics of zeolite- and silica-bound scandium borohydride complexes. The experiments reveal that scandium centers located within the zeolite micropores, in proximity to Al-created Brønsted sites, are more dynamic than rigid scandium sites grafted on silanols. Through a combination of NMR and molecular dynamics simulations, we show that the coordination of the scandium in the zeolite is labile, with the metal exchanging between two binding sites. As a result, the weak electron donation from the support that enables the movement of the Sc center leads to the formation of an undercoordinated metal center that cannot exist on silica, ultimately leading to the new catalytic activity of the species.

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

Microturbulence studies of pulsed poloidal current drive discharges in the reversed field pinch

Experimental discharges with pulsed poloidal current drive (PPCD) in the Madison Symmetric Torus reversed field pinch are investigated using a semi-analytic equilibrium model in the gyrokinetic turbulence code GENE. PPCD cases, with plasma currents of 500 kA and 200 kA, exhibit a density-gradient-driven trapped electron mode (TEM) and an ion temperature gradient mode, respectively. Relative to expectations of tokamak core plasmas, the critical gradients for the onset of these instabilities are found to be greater by roughly a factor of the aspect ratio. A significant upshift in the nonlinear TEM transport threshold, previously found for tokamaks, is confirmed in nonlinear reversed field pinch simulations and is roughly three times the threshold for linear instability. The simulated heat fluxes can be brought in agreement with measured diffusivities by introducing a small, resonant magnetic perturbation, thus modeling the residual fluctuations from tearing modes. These fluctuations significantly enhance transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Dispersion Validation for Flow Involving a Large Structure Revisited: 45 Degree Rotation

The atmospheric dispersion of contaminants in the wake of a large urban structure is a challenging fluid mechanics problem of interest to the scientific and engineering communities. Magnetic Resonance Velocimetry (MRV) and Magnetic Resonance Concentration (MRC) are relatively new techniques that leverage diagnostic equipment used primarily by the medical field to make 3D engineering measurements of flow and contaminant dispersal. SIERRA/Fuego, a computational fluid dynamics (CFD) code at Sandia National Labs is employed to make detailed comparisons to the dataset to evaluate the quantitative and qualitative accuracy of the model. This work is the second in a series of scenarios. In the prior work, a single large building in an array of similar buildings was considered with the wind perpendicular to a building face. In this work, the geometry is rotated by 45 degrees and improved studies are performed for simulation credibility. The comparison exercise shows conditionally good comparisons between the model and experiment. Model uncertainties are assessed through parametric variations. Various methods of quantifying the accuracy between experiments and data are examined Three-dimensional analysis of accuracy is performed. The effort helped identify deficiencies in the techniques used to make these comparisons, and further methods development therefore becomes one of the main recommendations for follow-on work.

42 ENGINEERING↗
NASA NTRS2003

Studies of Atomic Free Radicals Stored in a Cryogenic Environment

Impurity-Helium Solids are porous gel-like solids consisting of impurity atoms and molecules surrounded by thin layers of solid helium. They provide an ideal medium for matrix isolation of free radicals to prevent recombination and store chemical energy. In this work electron spin resonance, nuclear magnetic resonance, X-ray diffraction, and ultrasound techniques have all been employed to study the properties of these substances. Detailed studies via electron spin resonance of exchange tunneling chemical reactions involving hydrogen and deuterium molecular and atomic impurities in these solids have been performed and compared with theory. Concentrations of hydrogen approaching the quantum solid criterion have been produced. Structured studies involving X ray diffraction, ultrasound, and electron spin resonance have shown that the impurities in impurity helium solids are predominantly contained in impurity clusters, with each cluster being surrounded by thin layers of solid helium.

Lee, David M.↗
DOE OSTI2011

Efficient synthesis of quantum gates on a three-spin system with triangle topology

Experiments in coherent nuclear and electron magnetic resonance and optical spectroscopy correspond to control of quantum-mechanical ensembles, guiding them from initial states to target states by unitary transformations. The control inputs (pulse sequences) that accomplish these unitary transformations should take as little time as possible so as to minimize the effects of relaxation and decoherence, and to optimize the sensitivity of the experiments. Here, we give an efficient synthesis of a class of unitary transformations on a three coupled spin-(1/2) system with equal Ising coupling strengths. We show a significant time saving compared with conventional methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Room-temperature in situ nuclear spin hyperpolarization from optically pumped nitrogen vacancy centres in diamond

Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods have been developed to enhance nuclear spin polarization but they typically require high magnetic fields, cryogenic temperatures or sample transfer between magnets. Here we report bulk, room-temperature hyperpolarization of 13C nuclear spins observed via high-field magnetic resonance. The technique harnesses the high optically induced spin polarization of diamond nitrogen vacancy centres at room temperature in combination with dynamic nuclear polarization. We observe bulk nuclear spin polarization of 6%, an enhancement of ~170,000 over thermal equilibrium. The signal of the hyperpolarized spins was detected in situ with a standard nuclear magnetic resonance probe without the need for sample shuttling or precise crystal orientation. In conclusion, hyperpolarization via optical pumping/dynamic nuclear polarization should function at arbitrary magnetic fields enabling orders of magnitude sensitivity enhancement for nuclear magnetic resonance of solids and liquids under ambient conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Baseline effects of transcranial direct current stimulation on glutamatergic neurotransmission and large-scale network connectivity

Transcranial direct current stimulation (tDCS) modulates glutamatergic neurotransmission and can be utilized as a novel treatment intervention for a multitude of populations. However, the exact mechanism by which tDCS modulates the brain's neural architecture, from the micro to macro scales, have yet to be investigated. In this paper, using a within-subjects design, resting-state functional magnetic resonance imaging (rs-fMRI) and proton magnetic resonance spectroscopy ( 1 H MRS) were performed immediately before and after the administration of anodal tDCS over right parietal cortex. Group independent component analysis (ICA) was used to decompose fMRI scans into 75 brain networks, from which 12 resting-state networks were identified that had significant voxel-wise functional connectivity to anatomical regions of interest. 1 H MRS was used to obtain estimates of combined glutamate and glutamine (Glx) concentrations from bilateral intraparietal sulcus. Paired sample t-tests showed significantly increased Glx under the anodal electrode, but not in homologous regions of the contralateral hemisphere. Increases of within-network connectivity were observed within the superior parietal, inferior parietal, left frontal–parietal, salience and cerebellar intrinsic networks, and decreases in connectivity were observed in the anterior cingulate and the basal ganglia ( p <0.05, FDR-corrected). Individual differences in Glx concentrations predicted network connectivity in most of these networks. Finally, the observed relationships between glutamatergic neurotransmission and network connectivity may be used to guide future tDCS protocols that aim to target and alter neuroplastic mechanisms in healthy individuals as well as those with psychiatric and neurologic disorders.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1978

Coal thickness gauge using RRAS techniques, part 1

A noncontacting sensor having a measurement range of 0 to 6 in or more, and with an accuracy of 0.5 in or better is needed to control the machinery used in modern coal mining so that the thickness of the coal layer remaining over the rock is maintained within selected bounds. The feasibility of using the radiofrequency resonance absorption (RRAS) techniques of electron magnetic resonance (EMR) and nuclear magnetic resonance (NMR) as the basis of a coal thickness gauge is discussed. The EMR technique was found, by analysis and experiments, to be well suited for this application.

Rollwitz, W. L.↗
DOE OSTI2013

Magnetic properties of nanocrystalline KNbO{sub 3}

Newly synthesized undoped and iron-doped nanoscale powders of KNbO{sub 3} are investigated using magnetic resonance and static magnetization methods in order to determine how the crystal size and doping affect the structure of magnetic defects and material properties. Although the bulk crystals of KNbO{sub 3} are nonmagnetic, the undoped KNbO{sub 3} powder with average particle size of 80 nm exhibits magnetic properties. The ferromagnetic resonance signal and the magnetization curve registered on the powder are thoroughly analyzed. It is concluded that the appearance of the defect driven ferromagnetism in the undoped powder is due to the nano-size of the particles. This effect disappears in the iron-doped KNbO{sub 3} powder with particle sizes above 300 nm. In case of low doping (<1 mol. % Fe), a new electron paramagnetic resonance signal with g{sub eff} = 4.21 is found out in the KNbO{sub 3}:Fe powder. Such a signal has not been observed in the bulk crystals of KNbO{sub 3}:Fe. We suppose that this signal corresponds to individual paramagnetic Fe{sup 3+} ions having rhombic symmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Podophyllum derivatives containing fluorine atom in the 3-position of 2-aminopyridine improved the antitumor activity by inducing P53-dependent apoptosis

In previous work, we presented experimental and theoretical evidence that podophyllum derivatives substituted by chlorine atom in the 3-posititon of 2-aminopyridine exhibited significantly elevated potency. In this study, a series of podophyllum derivatives substituted in the 3-position of 2-aminopyridine, including methyl and fluorine groups, were synthesized. Their chemical structures were confirmed by the spectral ({sup 1}H-nuclear magnetic resonance, {sup 13}C-nuclear magnetic resonance, electrospray ionization mass spectrometry) and elemental analyses. These derivatives were tested for their respective cytotoxicities in HeLa, BGC-823, A549, Huh7, and MCF-7 cells by MTT assay and the pharmacological results showed that most of them displayed potent cytotoxicities against at least one of the tested cancer cell lines. Structure–activity relationship study suggested that the introduction of the fluorine atom into the 3-posititon of 2-aminopyridine had enhanced the cytotoxicity against numerous tumor cells compared to the chlorine atom, while the methyl group did not. Furthermore, other biological experiments were consistent with the beneficial effect of fluorine atom substituent in the 3-position of 2-aminopyridine, which then inhibited the microtubule polymerization and activity of topoisomerase II when 2-amino-3-fluoropyridine substituted in podophyllotoxin and 4′-O-demethylepipodophyllotoxin, and that they work by effecting the target proteins which induce P53-dependent apoptosis.

60 APPLIED LIFE SCIENCES↗