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Results for “NUCLEAR MAGNETISM”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Spherical fused silica cells filled with pure helium for nuclear magnetic resonance-magnetometry

High magnetic fields (>1 T) are measured by NMR magnetometers with unrivaled precision if the precessing spin sample provides long coherence times. The longest coherence times are found in diluted {sup 3}He samples, which can be hyperpolarized for sufficient signal strength. In order to have minimal influence on the homogeneity and value of the measured magnetic field, the optimal container for the {sup 3}He should be a perfect sphere. A fused silica sphere with an inner diameter of 8 mm and an outer diameter of 12 mm was made from two hemispheres by diffusion bonding leaving only a small hole for cleaning and evacuation. This hole was closed in vacuum by a CO{sub 2} laser and the inner volume was filled with a few mbars of {sup 3}He via wall permeation. NMR-measurements on such a sample had coherence times of 5 min. While the hemispheres were produced with <1 μm deviation from sphericity, the bonding left a step of ca. 50 μm at maximum. The influence of such a mismatch, its orientation, and the immediate environment of the sample is analyzed by FEM-simulations and discussed in view of coherence times and absolute field measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Observation of the distribution of nuclear magnetization in a molecule

Precise experimental control and interrogation of molecules and calculations of their structure are enriching the investigation of nuclear and particle physics phenomena. Molecules containing heavy, octupole-deformed nuclei, such as radium, are of particular interest. Here, we report precision laser spectroscopy measurements and theoretical calculations of the structure of the radioactive radium monofluoride molecule 225 Ra 19 F. Our results reveal fine details of the short-range electron-nucleus interaction, indicating the high sensitivity of this molecule to the distribution of magnetization, within the radium nucleus. Here, these results provide a stringent test of the description of the electronic wave function inside the nuclear volume, highlighting the suitability of these molecules for investigating subatomic phenomena.

Nuclear structure↗
DOE OSTI2017

Cu nuclear magnetic resonance study of charge and spin stripe order in La 1.875 Ba 0.125 CuO 4

In this paper, we present a Cu nuclear magnetic/quadrupole resonance study of the charge stripe ordered phase of LBCO, with detection of previously unobserved (“wiped-out”) signal. We show that spin-spin and spin-lattice relaxation rates are strongly enhanced in the charge ordered phase, explaining the apparent signal decrease in earlier investigations. The enhancement is caused by magnetic, rather than charge fluctuations, conclusively confirming the long-suspected assumption that spin fluctuations are responsible for the wipeout effect. Observation of the full Cu signal enables insight into the spin and charge dynamics of the stripe-ordered phase, and measurements in external magnetic fields provide information on the nature and suppression of spin fluctuations associated with charge order. Lastly, we find glassy spin dynamics, in agreement with previous work, and incommensurate static charge order with charge modulation amplitude similar to other cuprate compounds, suggesting that the amplitude of charge stripes is universal in the cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of strain and quantum confinement in optically pumped nuclear magnetic resonance in GaAs: Interpretation guided by spin-dependent band structure calculations

A combined experimental-theoretical study of optically pumped NMR (OPNMR) has been performed in a GaAs/Al 0.1 Ga 0.9 As quantum well film with thermally induced biaxial strain. The photon energy dependence of the Ga-71 OPNMR signal was recorded at magnetic fields of 4.9 and 9.4 T at a temperature of 4.8-5.4 K. The data were compared to the nuclear spin polarization calculated from differential absorption to spin-up and spin-down states of the conduction band using a modified Pidgeon Brown model. Reasonable agreement between theory and experiment is obtained, facilitating assignment of features in the OPNMR energy dependence to specific interband transitions. Despite the approximations made in the quantum-mechanical model and the inexact correspondence between the experimental and calculated observables, the results provide insight into how effects of strain and quantum confinement are manifested in OPNMR signals

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Hypothesis-driven classification of materials using nuclear magnetic resonance relaxometry

Technologies related to identification of a substance in an optimized manner are provided. A reference group of known materials is identified. Each known material has known values for several classification parameters. The classification parameters comprise at least one of T.sub.1, T.sub.2, T.sub.1.rho., a relative nuclear susceptibility (RNS) of the substance, and an x-ray linear attenuation coefficient (LAC) of the substance. A measurement sequence is optimized based on at least one of a measurement cost of each of the classification parameters and an initial probability of each of the known materials in the reference group.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption

Methods for determining the identity of a substance are provided. A classification parameter set is defined to allow identification of substances that previously could not be identified or to allow identification of substances with a higher degree of confidence. The classification parameter set may include at least one of relative nuclear susceptibility (RNS) or an x-ray linear attenuation coefficient (LAC). RNS represents the density of hydrogen nuclei present in a substance relative to the density of hydrogen nuclei present in water. The extended classification parameter set may include T 1 , T 2 , and/or T 1 rho as well as at least one additional classification parameter comprising one of RNS or LAC. Values obtained for additional classification parameters as well as values obtained for T 1 , T 2 , and T.sub.1.rho. can be compared to known classification parameter values to determine whether a particular substance is a known material.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Insights into Rotational and Translational Dynamics in Mixtures of Ethylene Glycol and Choline Chloride Using Nuclear Magnetic Resonance Techniques

This work examines molecular dynamics and interactions in ethylene glycol–choline chloride (EG–ChCl) mixtures across 0–33 mol % ChCl, spanning the true eutectic region near 17–20 mol % and the commonly used 1:2 formulation. We combine pulsed-field-gradient (PFG) diffusion, fast-field-cycling (FFC) relaxometry, temperature-dependent 13 C T 1 , and nuclear Overhauser effect spectroscopy (NOESY) to disentangle local from macroscopic dynamics. PFG and FFC show that both translational and average rotational motions largely track the strong increase in viscosity with ChCl content, with ethylene glycol consistently diffusing faster than the choline cation and no global dynamical anomaly at the eutectic composition. More subtle, site-specific composition effects nevertheless emerge. The ratio of the diffusion coefficient of the hydroxyl group of choline to the diffusion coefficient of the methyl group of choline displays a shallow minimum in the 17–25 mol % region, indicating a modest change in how the hydroxyl-bearing end of choline samples the underlying translational motion relative to the methyl groups. 13 C T 1 analysis shows that rotational correlation times at 25 °C generally increase with ChCl, reflecting viscosity-coupled slowing, while the CH 2 –N α site exhibits a small but reproducible deviation from this monotonic trend near the eutectic. NOESY spectra at similar compositions reveal enhanced cross-relaxation between EG and choline protons, consistent with increased headgroup–solvent contact density rather than a wholesale structural rearrangement. Overall, our multitechnique study demonstrates that EG–ChCl dynamics are predominantly viscosity-dominated, with the eutectic region acting as a subtle dynamical crossover where specific choline segments become maximally coupled to the hydrogen-bond network. These insights refine the structure–dynamics picture of choline-chloride DESs and provide practical guidance for tuning composition in electrochemical, separation, and catalytic applications.

diffusion↗
DOE OSTI2015

High-pressure, high-temperature magic angle spinning nuclear magnetic resonance devices and processes for making and using same

Re-usable ceramic magic angle spinning (MAS) NMR rotors constructed of high-mechanic strength ceramics are detailed that include a sample compartment that maintains high pressures up to at least about 200 atmospheres (atm) and high temperatures up to about least about 300.degree. C. during operation. The rotor designs minimize pressure losses stemming from penetration over an extended period of time. The present invention makes possible a variety of in-situ high pressure, high temperature MAS NMR experiments not previously achieved in the prior art.

42 ENGINEERING↗
DOE OSTI2018

Nuclear Magnetic Resonance Study of Anion and Cation Reorientational Dynamics in (NH 4 ) 2 B 12 H 12

Here, diammonium dodecahydro-closo-dodecaborate (NH 4 ) 2 B 12 H 12 is the ionic compound combining NH 4 + cations and [B 12 H 12 ] 2– anions, both of which can exhibit high reorientational mobility. To study the dynamical properties of this material, we measured the proton NMR spectra and spin–lattice relaxation rates in (NH 4 ) 2 B 12 H 12 over the temperature range of 6–475 K. Two reorientational processes occurring at different frequency scales have been revealed. In the temperature range of 200–475 K, the proton spin–lattice relaxation data are governed by thermally activated reorientations of the icosahedral [B 12 H 12 ] 2– anions. This motional process is characterized by the activation energy of 486(8) meV, and the corresponding reorientational jump rate reaches ~10 8 s –1 near 410 K. Below 100 K, the relaxation data are governed by the extremely fast process of NH 4 + reorientations which are not “frozen out” at the NMR frequency scale down to 6 K. The experimental results in this range are described in terms of a gradual transition from the regime of low-temperature quantum dynamics (rotational tunneling of NH 4 groups) to the regime of classical jump reorientations of NH 4 groups with an activation energy of 26.5 meV. Our study offers physical insights into the rich dynamical behavior of (NH 4 ) 2 B 12 H 12 on an atomic level, providing a link between the microscopic and thermodynamic properties of this compound.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Molecular Level Structure and Dynamics of Electrolytes Using 17O Nuclear Magnetic Resonance Spectroscopy

Electrolytes help harness the energy from electrochemical processes by serving as solvents and transport media for redox-active ions. Molecular-level interactions between ionic solutes and solvent molecules – commonly referred to as solvation phenomena – give rise to many functional properties of electrolytes such as ionic conductivity, viscosity, and stability. It is critical to understand the evolution of solvation phenomena as a function of competing counterions and solvent mixtures to predict and design the optimal electrolyte for a target application. Probing oxygen environments is of great interest as oxygens are located at strategic molecular sites in battery solvents and are directly involved in inter- and intramolecular solvation interactions. NMR signals from 17O nuclei in battery electrolytes offer nondestructive bulk measurements of isotropic shielding, electric field gradient tensors, and transverse and longitudinal relaxation rates, which are excellent means for probing structure, bonding, and dynamics of both solute and solvent molecules. This article describes the use of 17O NMR spectroscopy in probing the solvation structures of various electrolyte systems ranging from transition metal ions in aqueous solution to lithium cations in organic solvent mixtures.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2025

Nuclear Magnetic Resonance ‐based fragment screen of the E3 ligase Fem‐1 homolog B

Abstract Targeted protein degradation using PROTACs (PROteolysis TArgeting Chimeras) has emerged as a transformative therapeutic strategy, largely relying on a small number of E3 ubiquitin ligases such as CRBN and VHL. However, resistance, toxicity, and poor oral bioavailability limit the utility of PROTACs and highlight the need to expand the E3 ligase toolbox. Fem‐1 homolog B (FEM1B) is a lesser‐known E3 ligase that offers a promising alternative due to its broad expression and ability to recognize diverse degron motifs. Here, we describe the development of a stable construct of FEM1B, the results of a protein‐observed NMR‐based fragment screen using this construct, and the X‐ray structures of some of the fragment hits when bound to the protein. From these results, new PROTACs utilizing FEM1B as the E3 ligase may be discovered, providing an alternative E3 ligase for targeted protein degradation.

Katinas, Jade M. [Department of Biochemistry Vande↗