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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Interaction between magnetic vortex cores in a pair of nonidentical nanodisks

The coupling of two nonidentical magnetic nanodisks, i.e., with different vortex gyrotropic frequencies, is studied. From the analytical approach, the interactions between the nanodisks along x and y directions (the coupling integrals) were obtained as a function of distance. From the numerical solution of Thiele's equation, we derived the eigenfrequencies of the vortex cores as a function of distance. The motion of the two vortex cores and, consequently, the time dependence of the total magnetization M(t) were derived both using Thiele's equation and by micromagnetic simulation. From M(t), a recently developed method, the magnetic vortex echoes, analogous to the Nuclear Magnetic Resonance spin echoes, was used to compute the distance dependence of the magnetic coupling strength. The results of the two approaches differ by approximately 10%; using one single term, a dependence with distance found is broadly in agreement with studies employing other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A comparison of numerical simulations and analytical theory of the dynamics of interacting magnetic vortices

Magnetostatic interactions between vortices in closely spaced planar structures are important for applications including vortex-based magnonic crystals and spin torque oscillator networks. Analytical theories that include magnetostatic interaction effects have been proposed but have not yet been rigorously tested. Here, we compare micromagnetic simulations of the dynamics of magnetic vortices confined in three disks in an equilateral triangle configuration to analytical theories that include coupling. Micromagnetic simulations show that the magnetostatic coupling between the disks leads to splitting of the gyrotropic resonance into three modes and that the frequency splitting increases with decreasing separation. The temporal profiles of the magnetization depend on the vortex polarities and chiralities; however, the frequencies depend only on the polarity combinations and will fall into one of two categories: all polarities equal or one polarity opposite to the others, where the latter leads to a larger frequency splitting. Although the magnitude of the splitting observed in the simulations is larger than what is expected based on purely dipolar interactions, a simple analytical model that assumes dipole-dipole coupling captures the functional form of the frequency splitting and the motion patterns just as well as more complex models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Coherent Magnon–Photon Coupling in the Magnetic Semiconductor CrSBr

Magnon-based hybrid quantum systems are promising candidates for quantum interconnects and quantum sensors, and they offer a rich platform for exploring nonlinear magnonics and cavity–photon interactions. Two-dimensional (2D) van der Waals magnets provide a compact, atomically flat geometry that can be easily integrated into existing quantum circuits, such as superconducting resonators and qubits. Among various 2D magnets, the magnetic semiconductor CrSBr is particularly unique due to its strong spin–exciton, spin–lattice, and magnon–exciton interactions. In this work, we demonstrate coherent coupling between antiferromagnetic (AFM) magnons in CrSBr and microwave photons in a niobium-(Nb)-based-on-chip resonator. We tuned the magnon–photon coupling strength by changing the number of CrSBr flakes integrated into the Nb microwave photon resonators. Furthermore, this work demonstrates the first step toward integrating layered van der Waals 2D magnets into superconducting microwave circuits, with full access for microwave and optical probing.

Electromagnetic radiation↗
DOE OSTI2016

Synthesis and characterization of amorphous mesoporous silica using TEMPO-functionalized amphiphilic templates

Inorganic–organic hybrid materials based on amorphous mesoporous silica containing organized nitroxide radicals within its mesopores have been prepared using the micellar self-assembly of TEOS solutions containing the nitroxide functionalized amphiphile (4-(N,N-dimethyl-N-hexadecylammonium)-2,2,6, 6-tetramethyl-piperidin-N-oxyl-iodide) (CAT-16). This template has been used both in its pure form and in various mixtures with cetyl trimethylammonium bromide (CTAB). The samples have been characterized by chemical analysis, N{sub 2} sorption studies, magnetic susceptibility measurements, and various spectroscopic methods. While electron paramagnetic resonance (EPR) spectra indicate that the strength of the intermolecular spin–spin interactions can be controlled via the CAT-16/CTAB ratio, nuclear magnetic resonance (NMR) data suggest that these interactions are too weak to facilitate cooperative magnetism. - Graphical abstract: The amphiphilic radical CAT-16 is used as a template for the synthesis of amorphous mesoporous silica. The resulting paramagnetic hybrid materials are characterized by BET, FTIR, NMR, EPR and magnetic susceptibility studies. - Highlights: • Amphiphilic CAT-16 as a template for mesoporous silica. • Comprehensive structural characterization by BET, FTIR; EPR and NMR. • Strength of radical-radical interactions tuable within CAT-16/CTAB mixtures.

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

Hemicellulose Modulates Nanoscale Lignin Architecture in Synthetic Plant Cell Walls

Cellulose, hemicellulose, and lignin─the most abundant biopolymers on Earth─compose the structural matrix of plant biomass, providing renewable resources critical to bioenergy and sustainable materials. Despite their importance, the nanoscale mechanochemical processes underlying lignocellulose assembly during plant secondary cell wall formation remain poorly understood, hindering advancements in biomass conversion technologies. Here, in this study, we synthesize a biomimetic model system comprising cellulose–hemicellulose nanofibrils (CHN) to examine guaiacyl lignin polymerization in a physiologically relevant context. Using advanced nanocharacterization─scattering-type scanning near-field optical microscopy (s-SNOM) with infrared nanospectroscopy coupled to solid-state nuclear magnetic resonance (NMR)─we reveal that hemicellulose presence considerably modulates lignin deposition and alters its interunit bond distribution. Specifically, hemicellulose-rich environments dramatically reduce lignin deposition by approximately 50% and yield highly condensed lignin structures characterized by severely reduced β–O–4′ linkages (<2%) and suppressed β–β′ linkages. Conversely, cellulose-alone scaffolds support notably higher β–O–4′ content (∼10%), resulting in a more uniform nanoscale lignin coating. Our work helps explain how accessible hemicellulose sites, both sterically and chemically, direct radical coupling during lignification, fundamentally reshaping lignin’s nanoscale architecture. These findings deepen our mechanistic understanding of plant cell wall biosynthesis and inform strategies aimed at enhancing biomass deconstruction efficiency for sustainable bioenergy applications.

NMR↗
DOE OSTI2014

Spin counting in electrically detected magnetic resonance via low-field defect state mixing

The work herein describes a method that allows one to measure paramagnetic defect densities in semiconductor and insulator based devices with electrically detected magnetic resonance (EDMR). The method is based upon the mixing of defect states which results from the dipolar coupling of paramagnetic sites at low magnetic fields. We demonstrate the measurement method with spin dependent tunneling in thin film dielectrics; however, the method should be equally applicable to paramagnetic defect density measurements in semiconductors via the more commonly utilized EDMR technique called spin dependent recombination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Ferromagnetic resonance in a single crystal of iron borate and magnetic field tuning of hybrid oscillations in a composite structure with a dielectric: Experiment and theory

The high-frequency properties of a composite resonator comprised single crystal iron borate (FeBO{sub 3}), a canted antiferromagnet with a weak ferromagnetic moment, and a polycrystalline dielectric were investigated at 9–10 GHz. Ferromagnetic resonance in this frequency range was observed in FeBO{sub 3} for bias magnetic fields of ∼250 Oe. In the composite resonator, the magnetic mode in iron borate and dielectric mode are found to hybridize strongly. It is shown that the hybrid mode can be tuned with a static magnetic field. Our studies indicate that coupling between the magnetic mode and the dielectric resonance can be altered from maximum hybridization to a minimum by adjusting the position of resonator inside the waveguide. Magnetic field tuning of the resonance frequency by a maximum of 145 MHz and a change in the transmitted microwave power by as much as 16 dB have been observed for a bias field of 250 Oe. A model is discussed for the magnetic field tuning of the composite resonator and theoretical estimates are in reasonable agreement with the data. The composite resonator with a weak ferromagnet and a dielectric is of interest for application in frequency agile devices with electronically tunable electrodynamic characteristics for the mm and sub-mm wave bands.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A quantum description of radiation damping and the free induction signal in magnetic resonance

We apply the methods of cavity quantum electrodynamics (CQED), to obtain a microscopic and fully quantum-mechanical picture of radiation damping in magnetic resonance, and the nascent formation of the free induction signal. Numerical solution of the Tavis-Cummings model - i.e., multiple spins 1/2 coupled to a lossless single-mode cavity - shows in fine detail the transfer of Zeeman energy, via spin coherence, to excite the cavity - represented here by a quantized LC resonator. The case of a single spin is also solved analytically. Although the motion of the Bloch vector is non-classical, we nonetheless show that the quantum mechanical Rabi nutation frequency (as enhanced by cavity coupling and stimulated emission) gives realistic estimates of macroscopic signal strength and the radiation damping constant in nuclear magnetic resonance. We also show how to introduce dissipation: cavity losses by means of a master equation, and relaxation by the phenomenological method of Bloch. The failure to obtain the full Bloch equations (unless semi-classical conditions are imposed on the cavity) is discussed in light of similar issues arising in CQED (and in earlier work in magnetic resonance as well), as are certain problems relative to quantization of the electromagnetic near-field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Resonance from antiferromagnetic spin fluctuations for superconductivity in UTe 2

We report superconductivity originates from the formation of bound (Cooper) pairs of electrons that can move through the lattice without resistance below the superconducting transition temperature $T_c$. Electron Cooper pairs in most superconductors form anti-parallel spin singlets with total spin S = 0, although they can also form parallel spin-triplet Cooper pairs with S = 1 and an odd parity wavefunction. Spin-triplet pairing is important because it can host topological states and Majorana fermions relevant for quantum computation. Because spin-triplet pairing is usually mediated by ferromagnetic (FM) spin fluctuations3, uranium-based materials near an FM instability are considered to be ideal candidates for realizing spin-triplet superconductivity. Indeed, UTe 2 , which has a $T_c$ ≈ 1.6 K, has been identified as a candidate for a chiral spin-triplet topological superconductor near an FM instability, although it also has antiferromagnetic (AF) spin fluctuations. Here we use inelastic neutron scattering (INS) to show that superconductivity in UTe 2 is coupled to a sharp magnetic excitation, termed resonance, at the Brillouin zone boundary near AF order. Because the resonance has only been found in spin-singlet unconventional superconductors near an AF instability, its observation in UTe 2 suggests that AF spin fluctuations may also induce spin-triplet pairing or that electron pairing in UTe 2 has a spin-singlet component.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Controlling spin relaxation with a cavity

Spontaneous emission of radiation is one of the fundamental mechanisms by which an excited quantum system returns to equilibrium. For spins, however, spontaneous emission is generally negligible compared to other non-radiative relaxation processes because of the weak coupling between the magnetic dipole and the electromagnetic field. In 1946, Purcell realized that the rate of spontaneous emission can be greatly enhanced by placing the quantum system in a resonant cavity. This effect has since been used extensively to control the lifetime of atoms and semiconducting heterostructures coupled to microwave or optical cavities, and is essential for the realization of high-efficiency single-photon sources. In this paper, we report the application of this idea to spins in solids. By coupling donor spins in silicon to a superconducting microwave cavity with a high quality factor and a small mode volume, we reach the regime in which spontaneous emission constitutes the dominant mechanism of spin relaxation. The relaxation rate is increased by three orders of magnitude as the spins are tuned to the cavity resonance, demonstrating that energy relaxation can be controlled on demand. Our results provide a general way to initialize spin systems into their ground state and therefore have applications in magnetic resonance and quantum information processing. Finally, they also demonstrate that the coupling between the magnetic dipole of a spin and the electromagnetic field can be enhanced up to the point at which quantum fluctuations have a marked effect on the spin dynamics; as such, they represent an important step towards the coherent magnetic coupling of individual spins to microwave photons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Designing Janus Ligand Shells on PbS Quantum Dots using Ligand–Ligand Cooperativity

We present a combined experimental and theoretical study of ligand ligand cooperativity during X-type carboxylate-to-carboxylate ligand exchange reactions on PbS quantum dot surfaces. We find that the ligand dipole moment (varied through changing the substituents on the benzene ring of cinnamic acid derivatives) impacts the ligand-exchange isotherms; in particular, ligands with large electron withdrawing character result in a sharper transition from an oleate-dominated ligand shell to a cinnamate-dominated ligand shell. We developed a two-dimensional lattice model to simulate the ligand-exchange isotherms that accounts for the difference in ligand binding energy as well as ligand ligand cooperativity. Our model shows that ligands with larger ligand ligand coupling energy exhibit sharper isotherms indicating an order disorder phase transition. Lastly, we developed an anisotropic Janus ligand shell by taking advantage of the ligand ligand cooperative ligand exchanges. We monitored the Janus ligand shell using 19 F nuclear magnetic resonance, showing that when the ligand ligand coupling energy falls within the order region of the phase diagram, Janus ligand shells can be constructed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhanced spin pumping in heterostructures of coupled ferrimagnetic garnets

Spin pumping has significant implications for spintronics, providing a mechanism to manipulate and transport spins for information processing. Understanding and harnessing spin currents through spin pumping is critical for the development of efficient spintronic devices. The use of a magnetic insulator with low damping enhances the signal-to-noise ratio in crucial experiments such as spin-torque ferromagnetic resonance (FMR) and spin pumping. A magnetic insulator coupled with a heavy metal or quantum material offers a more straightforward model system, especially when investigating spin-charge interconversion processes to greater accuracy. This simplicity arises from the absence of unwanted effects caused by conduction electrons unlike in ferromagnetic metals. Here, we investigate the spin pumping in coupled ferrimagnetic (FiM) Y 3 Fe 5 O 12 (YIG)/Tm 3 Fe 5 O 12 (TmIG) bilayers combined with heavy-metal (Pt) using the inverse spin Hall effect. It is observed that magnon transmission occurs at both of the FiMs FMR positions. The enhancement of spin pumping voltage (V sp ) in the FiM garnet heterostructures is observed. The plausible reason might be the interfacial exchange coupling between FiMs. The modulation of V sp is achieved by tuning the bilayer structure. Further, the spin mixing conductance for these coupled systems is found to be ≈ 10 18 m –2 . Furthermore, our findings describe a coupled FiM system for the investigation of magnon coupling providing opportunities for magnonic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Broadband Wide-Angle Second Harmonic Generation in Magnetized Plasma: Double Resonant Effect

Conditions for the phase synchronism between high-frequency electromagnetic waves with frequencies ω and 2ω propagating in magnetized plasma are investigated. The variety of the values of the plasma density and magnetic field, as well as of wave polarizations, obeying the synchronism conditions are shown to provide resonant broadband wide-angle nonlinear generation of the second harmonic of the pumping wave. Special attention is given to oblique propagation of interacting waves. The coupling strengths for the resonant mode conversion in magnetized collisional plasma are obtained. The double resonance ensuring efficient nonlinear generation of extraordinary mode in the vicinity of the electron cyclotron resonance (ω(2k) = ω{sub ce}) is considered. Examples illustrating these nonlinear phenomena for some plasma and radiation parameters are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Characterization of Heparin’s Conformational Ensemble by Molecular Dynamics Simulations and Nuclear Magnetic Resonance Spectroscopy

Heparin is a highly charged, polysulfated polysaccharide and serves as an anticoagulant. Heparin binds to multiple proteins throughout the body, suggesting a large range of potential therapeutic applications. Although its function has been characterized in multiple physiological contexts, heparin’s solution conformational dynamics and structure–function relationships are not fully understood. Molecular dynamics (MD) simulations facilitate the analysis of a molecule’s underlying conformational ensemble, which then provides important information necessary for understanding structure–function relationships. However, for MD simulations to afford meaningful results, they must both provide adequate sampling and accurately represent the energy properties of a molecule. The aim of this study is to compare heparin’s conformational ensemble using two well-developed force fields for carbohydrates, known as GLYCAM06 and CHARMM36, using replica exchange molecular dynamics (REMD) simulations, and to validate these results with NMR experiments. In this work, the anticoagulant sequence, an ultra-low-molecular-weight heparin, known as Arixtra (fondaparinux, sodium), was simulated with both parameter sets. The results suggest that GLYCAM06 matches experimental nuclear magnetic resonance three-bond J-coupling values measured for Arixtra better than CHARMM36. In addition, NOESY and ROESY experiments suggest that Arixtra is very flexible in the sub-millisecond time scale and does not adopt a unique structure at 25 C. Moreover, GLYCAM06 affords a much more dynamic conformational ensemble for Arixtra than CHARMM36.

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

Accurate measurement of heteronuclear dipolar couplings by phase-alternating R-symmetry (PARS) sequences in magic angle spinning NMR spectroscopy

We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear {sup 1}H-X (X = {sup 13}C, {sup 15}N, {sup 31}P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the {sup 1}H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the {sup 1}H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from {sup 1}H chemical shift anisotropy, while keeping the {sup 1}H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [{sup 15}N]-N-acetyl-valine and [U-{sup 13}C,{sup 15}N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate {sup 1}H-{sup 15}N dipolar couplings in the context of 3D experiments is presented on U-{sup 13}C,{sup 15}N-enriched dynein light chain protein LC8.

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

Three-wave coupling coefficients for perpendicular wave propagation in a magnetized plasma

The resonant interaction between three waves in a uniform magnetized plasma is reconsidered. Starting from previous kinetic expressions, we limit our investigation to waves propagating perpendicularly to the external magnetic field. It is shown that reliable results can only be obtained in the two-dimensional case, i.e., when the wave vectors have both x and y components.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Improving the sensitivity of J coupling measurements in solids with application to disordered materials

It has been shown previously that for magic angle spinning (MAS) solid state NMR the refocused INADEQUATE spin-echo (REINE) experiment can usefully quantify scalar (J) couplings in disordered solids. This paper focuses on the two z filter components in the original REINE pulse sequence, and investigates by means of a product operator analysis and fits to density matrix simulations the effects that their removal has on the sensitivity of the experiment and on the accuracy of the extracted J couplings. The first z filter proves unnecessary in all the cases investigated here and removing it increases the sensitivity of the experiment by a factor ∼1.1–2.0. Furthermore, for systems with broad isotropic chemical shift distributions (namely whose full widths at half maximum are greater than 30 times the mean J coupling strength), the second z filter can also be removed, thus allowing whole-echo acquisition and providing an additional √2 gain in sensitivity. Considering both random and systematic errors in the values obtained, J couplings determined by fitting the intensity modulations of REINE experiments carry an uncertainty of 0.2–1.0 Hz (∼1−10 %).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗