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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Synthesis and characterization of carboxymethyl cellulose from office waste paper: A greener approach towards waste management

Highlights: • Carboxymethyl cellulose (CMC) was successfully prepared from waste paper. • CMC had maximum degree of substitution (DS) 1.07. • Rheological studies of CMC (DS, 1.07) showed non-Newtonian pseudoplastic behavior. • Characterization of CMC was done by FT-IR and NMR techniques. • Morphology of prepared CMC was studied by SEM. - Abstract: In the present study, functionalization of mixed office waste (MOW) paper has been carried out to synthesize carboxymethyl cellulose, a most widely used product for various applications. MOW was pulped and deinked prior to carboxymethylation. The deinked pulp yield was 80.62 ± 2.0% with 72.30 ± 1.50% deinkability factor. The deinked pulp was converted to CMC by alkalization followed by etherification using NaOH and ClCH{sub 2}COONa respectively, in an alcoholic medium. Maximum degree of substitution (DS) (1.07) of prepared CMC was achieved at 50 °C with 0.094 M and 0.108 M concentrations of NaOH and ClCH{sub 2}COONa respectively for 3 h reaction time. The rheological characteristics of 1–3% aqueous solution of optimized CMC product showed the non-Newtonian pseudoplastic behavior. Fourier transform infra red (FTIR), nuclear magnetic resonance (NMR) and scanning electron microscope (SEM) study were used to characterize the CMC product.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Nanotesla Magnetometry with the Silicon Vacancy in Silicon Carbide

Silicon carbide is a promising host material for spin-defect-based quantum sensors owing to its commercial availability and established techniques for electrical and optical microfabricated device integration. The negatively charged silicon vacancy is one of the leading spin defects studied in silicon carbide owing to its near-telecom photoemission, high spin number, and nearly temperature-independent ground-state zero-field splitting. We report the realization of nanotesla shot-noise-limited ensemble magnetometry based on optically detected magnetic resonance with the silicon vacancy in 4H silicon carbide. By coarsely optimizing the anneal parameters and minimizing power broadening, we achieve a sensitivity of 50 nT/√Hz and a theoretical shot-noise-limited sensitivity of 3.5 nT/√Hz. This is accomplished without utilizing complex photonic engineering, control protocols, or applying excitation powers greater than a watt. This work demonstrates that the silicon vacancy in silicon carbide provides a low-cost and simple approach to quantum sensing of magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Effect of longitudinal magnetic fields on a simulated in-line 6 MV linac

Purpose: Linac-magnetic resonance (MR) systems have been proposed in order to achieve real-time image guided radiotherapy. The design of a new linac-MR system with the in-line 6 MV linac generating x-rays along the symmetry axis of an open MR imager is outlined. This new design allows for a greater MR field strength to achieve better quality images while reducing hot and cold spots in treatment planning. An investigation of linac's performance in the longitudinal fringe magnetic fields of the MR imager is given. Methods: The open MR imager fringe magnetic field was modeled using the analytic solution of the magnetic field generated from current carrying loops. The derived solution was matched to the magnetic fringe field isolines provided for a 0.5 T open MR imager through Monte Carlo optimization. The optimized field solution was then added to the previously validated 6 MV linac simulation to quantify linac's performance in the fringe magnetic field of a 0.5 T MR imager. To further the investigation, linac's performance in large fringe fields expected from other imagers was investigated through the addition of homogeneous longitudinal fields. Results: The Monte Carlo optimization of the analytic current loop solution provided good agreement with the magnetic fringe field isolines supplied by the manufacturer. The range of magnetic fields the linac is expected to experience when coupled to the 0.5 T MR imager was determined to be from 0.0022 to 0.011 T (as calculated at the electron gun cathode). The effect of the longitudinal magnetic field on the electron beam was observed to be only in the electron gun. The longitudinal field changed the electron gun optics, affecting beam characteristics, such as a slight increase in the injection current and beam diameter, and an increasingly nonlaminar transverse phase space. Although the target phase space showed little change in its energy spectrum from the altered injection phase space, a reduction in the target current and spatial distribution peak intensity was observed. Despite these changes, the target phase space had little effect on the depth dose curves or dose profiles calculated for a 40x40 cm{sup 2} field at 1.5 cm depth. At longitudinal fields larger than 0.012 T, a drastic reduction in the injection current from the electron gun was observed due to a large fraction of electrons striking the anode. This further reduced the target current, which reached a minimum of 28{+-}2 mA at 0.06 T. A slow increase in the injection and target currents was observed at fields larger than 0.06 T due to greater beam collimation in the anode beam tube. Conclusions: In an effort to achieve higher quality images and a reduction in hot and cold spots in the treatment plan, a parallel configuration linac-MR system is presented. The longitudinal magnetic fields of the MR imager caused large beam losses within the electron gun. These losses may be eliminated through a redesign of the electron gun optics incorporating a longitudinal magnetic field, or through magnetic shielding, which has already been proven successful for the transverse configuration.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Equatorial Electronic Structure in the Uranyl Ion: Cs 2 UO 2 Cl 4 and Cs 2 UO 2 Br 4

Electric field gradient (EFG) tensors in the equatorial plane of the linear UO 2 2+ ion have been measured by nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) experiments and computed by relativistic Kohn–Sham methods with and without environment embedding for Cs 2 UO 2 Cl 4 and Cs 2 UO 2 Br 4 . This approach expands the possibilities for probing the electronic structure in uranyl complexes beyond the strongly covalent U–O bonds. The combined analyses find that one of the two largest principal EFG tensor components at the halogen sites points along the U–X bond (X = Cl, Br), and the second is parallel to the UO 2 2+ ion; in Cs 2 UO 2 Cl 4 , the components are nearly equal in magnitude, whereas in Cs 2 UO 2 Br 4 , due to short-range bromide–cesium interactions, the equatorial component is dominant for one pair of Br sites and the axial component is larger for the second pair. Additionally, the directions and relative magnitudes of the field gradient principal axes are found to be sensitive to the σ and π electron donation by the ligands and the model of the environment. Chlorine-35 NQR spectra of 235 U-depleted and 235 U-enriched Cs 2 UO 2 Cl 4 exhibited no uranium-isotope-dependent shift, but the resonance of the depleted sample displayed a 58% broader line width.

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

Effect of low-damage inductively coupled plasma on shallow nitrogen-vacancy centers in diamond

Near-surface nitrogen-vacancy (NV) centers in diamond have been successfully employed as atomic-sized magnetic field sensors for external spins over the last years. A key challenge is still to develop a method to bring NV centers at nanometer proximity to the diamond surface while preserving their optical and spin properties. To that aim we present a method of controlled diamond etching with nanometric precision using an oxygen inductively coupled plasma process. Importantly, no traces of plasma-induced damages to the etched surface could be detected by X-ray photoelectron spectroscopy and confocal photoluminescence microscopy techniques. In addition, by profiling the depth of NV centers created by 5.0 keV of nitrogen implantation energy, no plasma-induced quenching in their fluorescence could be observed. Moreover, the developed etching process allowed even the channeling tail in their depth distribution to be resolved. Furthermore, treating a {sup 12}C isotopically purified diamond revealed a threefold increase in T{sub 2} times for NV centers with <4 nm of depth (measured by nuclear magnetic resonance signal from protons at the diamond surface) in comparison to the initial oxygen-terminated surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

In-situ pore size investigations of loaded porous concrete with non-destructive methods

Subject of this investigation is the in-situ evolution of pore volume and pore size distribution in Ytong (a porous concrete material) under increasing pressure with two different non-destructive analytical methods: Nuclear Magnetic Resonance (NMR) and X-ray Computed Tomography (CT). For both methods special strain devices to apply external pressure were constructed. The results from the two techniques yield complementary information on the pore size distribution and allows covering different pore size regions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes

We perform extensive molecular dynamics simulations of a poly(ethylene oxide)-based polymer electrolyte material containing lithium bis(trifluoromethanesulfonyl)imide salt for a wide temperature regime above and below the experimental crystallization temperature with and without N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid (IL). The impact of the IL-concentration on the cation dynamics is studied. The increase of the cation mobility upon addition of IL is significant but temperature-independent. This can be related to distinct variations of the underlying transport properties as expressed within the previously introduced transport model of polymer electrolytes. Even for the largest IL concentration the transport model perfectly predicts the non-trivial time-dependence of the cationic mean square displacement for all temperatures. Finally, we compare our numerical and theoretical findings with the results of recent nuclear magnetic resonance experiments. In this way we can exclusively relate the strong experimentally observed dependence of the low-temperature Li-diffusivity on the IL concentration to the impact of IL on crystallization.

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

Stabilizing shallow color centers in diamond created by nitrogen delta-doping using SF{sub 6} plasma treatment

Here we report the fabrication of stable, shallow (<5 nm) nitrogen-vacancy (NV) centers in diamond by nitrogen delta doping at the last stage of the chemical vapor deposition growth process. The NVs are stabilized after treating the diamond in SF{sub 6} plasma, otherwise the color centers are not observed, suggesting a strong influence from the surface. X-ray photoelectron spectroscopy measurements show the presence of only fluorine atoms on the surface, in contrast to previous studies, indicating very good surface coverage. We managed to detect hydrogen nuclear magnetic resonance signal from protons in the immersion oil, revealing a depth of the NVs of about 5 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

On the connection between nonmonotonic taste behavior and molecular conformation in solution: The case of rebaudioside-A

The diterpene steviol glycoside, rebaudioside A, is a natural high potency non-caloric sweetener extracted from the leaves of Stevia rebaudiana. This compound shows a parabolic change in sweet taste intensity with temperature which contrasts with the general finding for other synthetic or natural sweeteners whose sweet taste increases with temperature. The nonmonotonic taste behavior was determined by sensory analysis using large taste panels. The conformational landscape of rebaudioside A was established at a range of temperatures by means of nuclear magnetic resonance and molecular dynamics simulation. The relationship between various conformations and the observed sweetness of rebaudioside A is described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Andreev spectroscopy of FeSe: Evidence for two-gap superconductivity

Current-voltage characteristics (CVCs) of Andreev superconductor-constriction-superconductor (ScS) contacts in polycrystalline samples of FeSe with the critical temperature T{sub C} = (12 {+-} 1) K have been measured using the break-junction technique. In Sharvin-type nanocontacts, two sets of subharmonic gap structures were detected due to multiple Andreev reflections, indicating the existence of two nodeless superconducting gaps {Delta}{sub L} = (2.75 {+-} 0.3) meV and {Delta}{sub S} = (0.8 {+-} 0.2) meV. Well-shaped CVCs for stacks of Andreev contacts with up to five contacts were observed due to the layered structure of FeSe (the intrinsic multiple Andreev reflections effect). An additional fine structure in the CVCs of Andreev ScS nanocontacts is attributed to the existence of a Leggett mode. A linear relation between the superconducting gap {Delta}{sub L} and the magnetic resonance energy E{sub magres} Almost-Equal-To 2{Delta}{sub L} is found to be valid for layered iron pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Flying Cages in Traveling Wave Ion Mobility: Influence of the Instrumental Parameters on the Topology of the Host–Guest Complexes

Supramolecular mass spectrometry has emerged in the last decade as an orthogonal method to access, at the molecular level, the structures of noncovalent complexes extracted from the condensed phase to the rarefied gas phase using electrospray ionization. It is often considered that the soft nature of the ESI source confers to the method the capability to generate structural data comparable to those in the condensed phase. In the present paper, using the ammonium ion/cucurbituril combination as a model system, we investigate using ion mobility and computational chemistry the influence of the instrumental parameters on the topology, i.e., internal versus external association, of gaseous host/guest complex ions. MS and theoretical data are confronted to condensed phase data derived from nuclear magnetic resonance spectroscopy to assess whether the instrumental parameters can play an insidious role when trying to derive condensed phase data from mass spectrometry results. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

A novel ether-linked phytol-containing digalactosylglycerolipid in the marine green alga, Ulva pertusa

Highlights: • Alkaline-resistant galactolipid, AEGL, was found in marine algae. • The sugar moiety of AEGL is identical to that of digalactosyldiacylglycerol. • AEGL is the first identified glycolipid that possesses an ether-linked phytol. • AEGL is ubiquitously distributed in green, red and brown marine algae. - Abstract: Galactosylglycerolipids (GGLs) and chlorophyll are characteristic components of chloroplast in photosynthetic organisms. Although chlorophyll is anchored to the thylakoid membrane by phytol (tetramethylhexadecenol), this isoprenoid alcohol has never been found as a constituent of GGLs. We here described a novel GGL, in which phytol was linked to the glycerol backbone via an ether linkage. This unique GGL was identified as an Alkaline-resistant and Endogalactosylceramidase (EGALC)-sensitive GlycoLipid (AEGL) in the marine green alga, Ulva pertusa. EGALC is an enzyme that is specific to the R-Galα/β1-6Galβ1-structure of galactolipids. The structure of U. pertusa AEGL was determined following its purification to 1-O-phytyl-3-O-Galα1-6Galβ1-sn-glycerol by mass spectrometric and nuclear magnetic resonance analyses. AEGLs were ubiquitously distributed in not only green, but also red and brown marine algae; however, they were rarely detected in terrestrial plants, eukaryotic phytoplankton, or cyanobacteria.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Probing the Atomic Scale Mechanisms of Time Dependent Dielectric Breakdown in Si/SiO 2 MOSFETs (June 2022)

Here we report on an atomic-scale study of trap generation in the initial/intermediate stages of time-dependent dielectric breakdown (TDDB) in high-field stressed (100) Si/SiO2 MOSFETs using two powerful analytical techniques: electrically detected magnetic resonance (EDMR) and near-zero-field magnetoresistance (NZFMR). We find the dominant EDMR-sensitive traps generated throughout the majority of the TDDB process to be silicon dangling bonds at the (100) Si/SiO2 interface (Pb0 and Pb1 centers) for both the spin-dependent recombination (SDR) and trap-assisted tunneling (SDTAT) processes. We find this generation to be linked to both changes in the calculated interface state densities as well as changes in the NZFMR spectra for recombination events at the interface, indicating a redistribution of mobile magnetic nuclei which we conclude could only be due to the redistribution of hydrogen at the interface. Additionally, we observe the generation of traps known as E’ centers in EDMR measurements at lower experimental temperatures via SDR measurements at the interface. Our work strongly suggests the involvement of a rate-limiting step in the tunneling process between the silicon dangling bonds generated at the interface and the ones generated throughout the oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A magnetically shielded room with ultra low residual field and gradient

A versatile and portable magnetically shielded room with a field of (700 ± 200) pT within a central volume of 1 m × 1 m × 1 m and a field gradient less than 300 pT/m, achieved without any external field stabilization or compensation, is described. This performance represents more than a hundredfold improvement of the state of the art for a two-layer magnetic shield and provides an environment suitable for a next generation of precision experiments in fundamental physics at low energies; in particular, searches for electric dipole moments of fundamental systems and tests of Lorentz-invariance based on spin-precession experiments. Studies of the residual fields and their sources enable improved design of future ultra-low gradient environments and experimental apparatus. This has implications for developments of magnetometry beyond the femto-Tesla scale in, for example, biomagnetism, geosciences, and security applications and in general low-field nuclear magnetic resonance (NMR) measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2010

Science & Technology Review June 2010

This month's issue has the following articles: (1) A Leader in High-Pressure Science--Commentary by William H. Goldstein; (2) Diamonds Put the Pressure on Materials--New experimental capabilities are helping Livermore scientists better understand how extreme pressure affects a material's structure; (3) Exploring the Unusual Behavior of Granular Materials--Livermore scientists are developing new techniques for predicting the response of granular materials under pressure; (4) A 1-Ton Device in a Briefcase--A new briefcase-sized tool for nuclear magnetic resonance is designed for onsite analysis of suspected chemical weapons; and (5) Targets Designed for Ignition--A series of experiments at the National Ignition Facility is helping scientists finalize the ignition target design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

Suppression of probe background signals via B1 field inhomogeneity

A new approach combining a long pulse with the DEPTH sequence (Cory and Ritchey, Journal of Magnetic Resonance, 1988) greatly improves the efficiency for suppressing probe background signals arising from spinning modules. By applying a long initial excitation pulse in the DEPTH sequence, instead of a {pi}/2 pulse, the inhomogeneous B{sub 1} fields outside the coil can dephase the background coherence in the nutation frame. The initial long pulse and the following two consecutive EXORCYCLE {pi} pulses function complementarily and prove most effective in removing background signals from both strong and weak B{sub 1} fields. Experimentally, the length of the long pulse can be optimized around odd multiples of the {pi}/2 pulse, depending on the individual probe design, to preserve signals inside the coil while minimizing those from probe hardware. This method extends the applicability of the DEPTH sequence to probes with small differences in B{sub 1} field strength between the inside and outside of the coil, and can readily combine with well-developed double resonance experiments for quantitative measurement. In general, spin systems with weak internal interactions are required to attain efficient and uniform excitation for powder samples, and the principles to determine the applicability are discussed qualitatively in terms of the relative strength of spin interactions, r.f. power and spinning rate.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Features of {sup 63,65}Cu NMR Spectra in the Local Field of Samples of CuFeS{sub 2} Semiconductor Mineral from Oceanic Sulfide Deposits

The results of studying natural samples of CuFeS{sub 2} chalcopyrite mineral from hydrothermal ore manifestations of island arcs of the Pacific Ocean by {sup 63}Cu nuclear magnetic resonance ({sup 63}Cu NMR) in a local field at room temperature are presented. The asymmetric shape of the detected resonance lines in the {sup 63}Cu NMR spectrum indicates the presence of at least two overlapping lines. The presence of two overlapping central components can be a consequence of the occurrence of regions with different types of structural distortion near the resonant nuclei. These results show that the pulsed {sup 63}Cu NMR method can be an effective method for studying the physical properties of deep-sea polymetallic sulfides of the global ocean.

36 MATERIALS SCIENCE↗