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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

AdS 6 /CFT 5 with O7-planes

Type IIB AdS6 solutions with orientifold 7-planes are constructed. The geometry is a warped product of AdS 6 and S 2 over a Riemann surface Σ and the O7-planes correspond to a particular type of puncture on Σ. The solutions are identified as near-horizon limits of (p,q) 5-brane webs with O7-planes. The dual 5d SCFTs have relevant deformations to linear quiver gauge theories which have SO(•) or USp(•) nodes or SU(•) nodes with hypermultiplets in symmetric or antisymmetric representations, in addition to SU(•) nodes with fundamental hypermultiplets. The S 5 free energies are obtained holographically and matched to field theory computations using supersymmetric localization to support the proposed dualities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Electronic structure, magnetic properties, and exchange splitting of gadolinium intermetallics

Here, we report here the electronic structure calculations of the magnetic moment, magneto-crystalline anisotropy energy (MAE), and density of states (DOS) of Gd-metal, GdAl 2 , GdAl 3 , GdCo 2 , GdCo 3 , and GdCo 5 . From the DOS, the exchange splitting energy is derived to map ferrimagnetic to paramagnetic phase transition (Curie temperature, T C ). The employed theoretical method here is based on advanced density functional theory, specifically the linearized augmented plane wave method (LAPW) within the local spin density approximation (LSDA), including spin–orbit coupling (SOC) and Hubbard model parameter (U). DOS analysis of both Gd-Al and Gd-Co systems reveals a strong correlation between exchange splitting energy and T C . The Gd-Co system exhibits an enormous exchange splitting energy among Co-3d electrons, vastly overwhelming the vanishing Gd 5d exchange splitting. Finally, these findings suggest that exchange splitting of Co-3d electrons plays a key role in the ground state magnetism and magnetic transition temperatures in these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Oscillating surge wave energy converter using a novel above-water power takeoff with belt-arc speed amplification

We investigate the performance of a novel power takeoff (PTO) featuring belt-arc speed amplification for oscillating surge wave energy converters (OSWECs), aiming to address the challenges of extremely low rotary speed and large torque under the low-frequency ocean wave excitations. The belt-arc design significantly increases the rotary speed of the generator, enabling generator downsizing and decreasing the powertrain friction losses. The design also allows for placing the generator above water, eliminating the need for high Ingress Protection ratings for the generator and powertrain, and potentially leading to substantial reductions in capital and maintenance costs. Using the linear potential wave theory, the dynamics of the integrated system are analyzed, and key parameters are identified. To validate the numerical analysis, a 1:10 scale model is designed, fabricated, and tested in a wave tank. Performance evaluations are conducted under regular and irregular wave conditions, with quantified effects of parameter tuning. The results reveal an optimal wave-to-electric efficiency of 48% under regular wave excitation and 20% under irregular excitation. Furthermore, these findings underscore the effectiveness of the proposed novel PTO design in addressing the challenges of low rotation speed and large torque inherent in OSWECs, demonstrating its ability to efficiently convert wave power into electricity.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

A kinetic model for pure electron plasma compression via the rotating wall technique

An approximate model for pure electron plasma compression is developed for the case where the rotating wall (RW) electric field couples to the ${E}\times{B}$rotation and axial bounce motion of the electrons. The key assumption in the model is that, throughout the compression, the plasma remains in a slowly evolving thermal equilibrium defined by the plasma temperature and angular momentum. Linearized drift kinetic theory is employed to derive an expression for torque exerted by the RW field on the plasma through coupling to the resonant plasma particles, and averaging is used to find the torque that both compresses and heats the plasma. The evolution equations for the angular velocity and temperature of the plasma include the compression and heating from the torque and cooling from cyclotron radiation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Van Hove singularity in the magnon spectrum of the antiferromagnetic quantum honeycomb lattice

In quantum magnets, magnetic moments fluctuate heavily and are strongly entangled with each other, a fundamental distinction from classical magnetism. Here, with inelastic neutron scattering measurements, we probe the spin correlations of the honeycomb lattice quantum magnet YbCl 3 . A linear spin wave theory with a single Heisenberg interaction on the honeycomb lattice, including both transverse and longitudinal channels of the neutron response, reproduces all of the key features in the spectrum. In particular, we identify a Van Hove singularity, a clearly observable sharp feature within a continuum response. The demonstration of such a Van Hove singularity in a two-magnon continuum is important as a confirmation of broadly held notions of continua in quantum magnetism and additionally because analogous features in two-spinon continua could be used to distinguish quantum spin liquids from merely disordered systems. These results establish YbCl 3 as a benchmark material for quantum magnetism on the honeycomb lattice.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Capturing dynamical correlations using implicit neural representations

Abstract Understanding the nature and origin of collective excitations in materials is of fundamental importance for unraveling the underlying physics of a many-body system. Excitation spectra are usually obtained by measuring the dynamical structure factor, S ( Q , ω ), using inelastic neutron or x-ray scattering techniques and are analyzed by comparing the experimental results against calculated predictions. We introduce a data-driven analysis tool which leverages ‘neural implicit representations’ that are specifically tailored for handling spectrographic measurements and are able to efficiently obtain unknown parameters from experimental data via automatic differentiation. In this work, we employ linear spin wave theory simulations to train a machine learning platform, enabling precise exchange parameter extraction from inelastic neutron scattering data on the square-lattice spin-1 antiferromagnet La 2 NiO 4 , showcasing a viable pathway towards automatic refinement of advanced models for ordered magnetic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systematic determination of a material’s magnetic ground state from first principles

Abstract We present a self-consistent method based on first-principles calculations to determine the magnetic ground state of materials, regardless of their dimensionality. Our methodology is founded on satisfying the stability conditions derived from the linear spin wave theory (LSWT) by optimizing the magnetic structure iteratively. We demonstrate the effectiveness of our method by successfully predicting the experimental magnetic structures of NiO, FePS 3 , FeP, MnF 2 , FeCl 2 , and CuO. In each case, we compared our results with available experimental data and existing theoretical calculations reported in the literature. Finally, we discuss the validity of the method and the possible extensions.

Chemistry↗
DOE OSTI2025

A magnon band analysis of GdRu 2 Si 2 in the field-polarized state

Understanding the formation of skyrmions in centrosymmetric materials is a problem of fundamental and technological interest. GdRu 2 Si 2 is a candidate material that hosts a variety of multi-Q magnetic phases, including in zero-field. Here, inelastic neutron scattering is used to measure the spin excitations in the field-polarized phase of GdRu 2 Si 2 . Linear spin wave theory and a method of interaction invariant path analysis are used to derive a Hamiltonian accounting for the spectra. The Hamiltonian, dominated by bilinear (Ruderman-Kittel-Kasuya-Yosida) Heisenberg exchange, compares favorably to ab initio calculations. Dipolar interactions are a secondary energy scale to consider, with J D.D ~ 0.05 J RKKY . However, it is shown that in the field-polarized phase the dipolar interactions ‘self screen’ so that their effect is largely suppressed. No specific evidence for higher-order exchange is found. These aspects are discussed in the context of the lower field multi-Q states and the anisotropy of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Extensions of a classical mechanics “piston-model” for understanding the impact of asymmetry on ICF implosions: The cases of mode 2, mode 2/1 coupling, time-dependent asymmetry, and the relationship to coast-time

As long suspected, low mode asymmetry in inertially confined fusion (ICF) implosions has been implicated as a performance limiting factor [Casey et al., “Evidence of three-dimensional asymmetries seeded by high-density carbon-ablator nonuniformity in experiments at the national ignition facility,” Phys. Rev. Lett. 126, 025002 (2021)]. Recently a non-linear, but solvable, theory [Hurricane et al., “An analytic asymmetric-piston model for the impact of mode-1 shell asymmetry on ICF implosions,” Phys. Plasmas 27, 062704 (2020)] based upon the simple picture of a pair of asymmetric pistons has generated new insights and provided some practical formulas for estimating the degradation of an implosion due to mode-1 asymmetry and demonstrated a previously unrecognized connection between measured hot-spot drift velocity, nuclear down-scatter ratio asymmetry, and the concept of residual kinetic energy (RKE). Asymmetry of the implosion “shell,” as opposed to asymmetry of the hot-spot, was key to the classical mechanics model because the majority of the kinetic energy in an implosion is carried by the shell. Herein, the two-piston model is extended to a six-piston model in order to capture mode-2 asymmetry and coupling between mode-1 and mode-2. A key result of this new six-piston model is that the weighted harmonic mean of shell areal density is the fundamental quantity that determines the RKE and performance degradations for a three-dimensional implosion. Agreement is found between the scalings coming from the theory and ICF implosion data from the National Ignition Facility and to large ensembles of detailed simulations. The connection between the piston model's dependence upon the radius of peak velocity and coast-time is also highlighted in this paper. Finally, by extending the two-piston model to include time-dependent “swing,” it is shown in the Appendix that the shell asymmetry at the time of stagnation dominates the solution for RKE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Two-dimensional quantum universality in the spin-1/2 triangular-lattice quantum antiferromagnet Na 2 BaCo(PO 4 ) 2

An interplay of geometrical frustration and strong quantum fluctuations in a spin-1/2 triangular-lattice antiferromagnet (TAF) can lead to exotic quantum states. Here, we report the neutron-scattering, magnetization, specific heat, and magnetocaloric studies of the recently discovered spin-1/2 TAF Na 2 BaCo(PO 4 ) 2 , which can be described by a spin-1/2 easy axis XXZ model. The zero-field neutron diffraction experiment reveals an incommensurate antiferromagnetic ground state with a significantly reduced ordered moment of about 0.54(2) μ B /Co. Different magnetic phase diagrams with magnetic fields in the a b plane and along the easy c -axis were extracted based on the magnetic susceptibility, specific heat, and elastic neutron-scattering results. In addition, two-dimensional (2D) spin dispersion in the triangular plane was observed in the high-field polarized state, and microscopic exchange parameters of the spin Hamiltonian have been determined through the linear spin wave theory. Consistently, quantum critical behaviors with the universality class of d = 2 and ν z = 1 were established in the vicinity of the saturation field, where a Bose–Einstein condensation (BEC) of diluted magnons occurs. The newly discovered quantum criticality and fractional magnetization phase in this ideal spin-1/2 TAF present exciting opportunities for exploring exotic quantum phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Cross-beam energy transfer saturation: ion heating and pump depletion

Cross-beam energy transfer (CBET) was measured in two regimes where the energy transfer saturation mechanism was determined by the plasma and laser beam conditions. Here, linear kinetic CBET theory agrees well with the measured energy transfer in all experimental configurations and at all probe beam intensities when accounting for pump depletion and the plasma conditions measured using Thomson-scattering. Simultaneous CBET and Thomson-scattering measurements enabled uncertainties in the plasma conditions to be isolated from CBET theory, which allowed the saturation mechanisms to be identified. In the perpendicular-beam configuration the saturation mode was through ion heating, which resulted from ion trapping in the driven waves and subsequent ion-ion collisional heating. In the co-propagating beam configuration there was minimal ion heating and the saturation mode was through pump depletion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Analytic marginalization of N(z) uncertainties in tomographic galaxy surveys

In this paper, we present a new method to marginalize over uncertainties in redshift distributions, N(z), within tomographic cosmological analyses applicable to current and upcoming photometric galaxy surveys. We allow for arbitrary deviations from the best-guess N(z) governed by a general covariance matrix describing the uncertainty in our knowledge of redshift distributions. In principle, this is marginalization over hundreds or thousands of new parameters describing potential deviations as a function of redshift and tomographic bin. However, by linearly expanding the theory predictions around a fiducial model, this marginalization can be performed analytically, resulting in a modified data covariance matrix that effectively downweights the modes of the data vector that are more sensitive to redshift distribution variations. We showcase this method by applying it to the galaxy clustering measurements from the Hyper Suprime-Cam first data release. We illustrate how to marginalize over sample variance of the calibration sample and a large general systematic uncertainty in photometric estimation methods, and explore the impact of priors imposing smoothness in the redshift distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Spin waves above and below the Verwey transition in TbBaFe 2 O 5

TbBaFe 2 O 5+δ (TBFO) is a mixed valence compound with an antiferromagnetic order (T N =450K) that changes along with the crystal structure and conductivity upon cooling below a Verwey-like transition (TV=280K). This type of double-cell-layered perovskite is useful to study putative charge ordering in fractional valence systems because the crystal structure develops unique sites for the different valence states. While the evolution of the static magnetic structure in the different charge ordered states of TBFO is known, in this study we investigate the effect of charge ordering on the magnetic interactions. Dispersive magnetic excitations measured using single crystal inelastic neutron scattering experiments at T=4K V and T=320K>T V are modeled with linear-spin-wave theory to extract anisotropy and superexchange parameters. Below T V , we observe a sizable magnon gap due to an easy-axis magnetic anisotropy that closes above T V due to the evolution of easy-plane anisotropy. The magnetic interactions are found to be highly three-dimensional and change across T V . Above T V , where the conductivity is greater, a damping term is required to model the spin waves that suggests a coupling to valence fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Thermal effects on the electronic properties of sodium electride under high pressures

Sodium is a simple metal at ambient conditions, while it transits to an electride phase at pressures above ~160 GPa along the room temperature isotherm. Here we explore the thermal effects on the electronic properties of the $hP4$ phase of sodium along the $ρ$ = 5.872 g/cm 3 isochore. We quantitatively classify this phase as an insulator based on the criterion of nearsightedness of the one-particle density matrix. Ab initio calculations suggest that the band gap of this insulator decreases with increasing temperature along the isochore, primarily because of ionic distortions; culminating in an insulator-to-metal transition upon melting at $T_m \approx 2100$ $\hbox{K}$. This transition is accompanied by residual electronic localization (in d orbitals) in the form of dynamic electron bubbles and a change in hybridization form $p–d$ to $s–p$ upon melting. This transition is explored by tracking the electronic and electro-optical properties along the isochore under consideration.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unravelling competing microscopic interactions at a phase boundary: A single-crystal study of the metastable antiferromagnetic pyrochlore Yb 2 Ge 2 O 7

We report inelastic neutron scattering measurements from our newly synthesized single crystals of the structurally metastable antiferromagnetic pyrochlore Yb 2 Ge 2 O 7 . We determine the four symmetry-allowed nearest-neighbor anisotropic exchange parameters via fits to linear spin wave theory supplemented by fits of the high-temperature specific heat using the numerical linked-cluster expansion method. The exchange parameters so-determined are strongly correlated to the values determined for the g-tensor components, as previously noted for the related Yb pyrochlore Yb 2 Ti 2 O 7 . To address this issue, we directly determined the g-tensor from electron paramagnetic resonance of 1% Yb-doped Lu 2 Ge 2 O 7 , thus enabling an unambiguous determination of the exchange parameters. Our results show that Yb 2 Ge 2 O 7 resides extremely close to the classical phase boundary between an antiferromagnetic Γ 5 phase and a splayed ferromagnet phase. By juxtaposing our results with recent ones on Yb 2 Ti 2 O 7 , our work illustrates that the Yb pyrochlore oxides represent ideal systems for studying quantum magnets in close proximity to classical phase boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin dynamics of the spin-chain antiferromagnet RbFeS 2

In this work, we report transport and inelastic neutron scattering studies on electronic properties and spin dynamics of the quasi-one-dimensional spin-chain antiferromagnet RbFeS 2 . An antiferromagnetic phase transition at TN≈195 K and dispersive spin waves with a spin gap of 5 meV are observed. By modeling the spin excitation spectra using linear spin wave theory, intra and interchain exchange interactions are found to be SJ 1 =100(5) meV and SJ 3 =0.9(3) meV, respectively, together with a small single-ion anisotropy of SD zz =0.04(1) meV. Comparison with previous results for other materials in the same class of Fe 3+ spin-chain systems reveals that although the magnetic order sizes show significant variation from 1.8 to 3.0μ B within the family of materials, the exchange interactions SJ are nevertheless quite similar, analogous to the iron pnictide superconductors where both localized and delocalized electrons contribute to the spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin dynamics in the skyrmion-host lacunar spinel GaV 4 S 8

Here in the lacunar spinel GaV 4 S 8 , the interplay of spin, charge, and orbital degrees of freedom produces a rich phase diagram that includes an unusual Néel-type skyrmion phase composed of molecular spins. To provide insight into the interactions underlying this complex phase diagram, we study the spin excitations in GaV 4 S 8 through inelastic neutron scattering measurements on polycrystalline and single crystal samples. Using linear spin wave theory, we describe the spin wave excitations using a model where V 4 clusters decorate an fcc lattice. The effective cluster model includes a ferromagnetic interaction and a weaker antisymmetric Dzyaloshinskii-Moriya interaction between the neighboring molecular spins. Our work clarifies the spin interactions in GaV 4 S 8 and supports the picture of interacting molecular clusters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spin dynamics and exchange interaction in orthoferrite TbFeO 3 with non-Kramers rare-earth ion

The low-temperature spin dynamics of the orthorhombic TbFeO 3 perovskite has been studied. It has been found that the inelastic neutron scattering (INS) spectrum of the investigated compound contains two modes corresponding to different sublattices. It is shown that the iron subsystem orders antiferromagnetically at T N =632 K and exhibits the high-energy magnon dispersion. The magnetic dynamics of this subsystem has been described within the linear spin wave theory and the in-plane and out-of-plane exchange anisotropy has been demonstrated. The approach proposed previously to describe the magnon dispersion in the TmFeO 3 compound has been used. Three levels of the nondispersive crystal electric field corresponding to Tb 3+ ions have been found in the energy region below 40 meV at about 17, 26, and 35 meV. The behavior of the magnetic correlation length of the terbium subsystem has been determined by studying the diffuse scattering at different temperatures. The evolution of this subsystem has been numerically described within the point charge model. In conclusion, it is shown that the numerical data agree satisfactorily with the experiment and with the general concept of the single-ion approximation applied to the rare-earth subsystem of orthorhombic perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗