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At least 1,063 records · Page 59

Fermi surface and Berry phase analysis for Dirac nodal line semimetals: Cautionary tale from SrGa 2 and BaGa 2

A Berry phase of odd multiples of 𝜋 inferred from quantum oscillations (QOs) has often been treated as evidence for nontrivial reciprocal space topology. However, disentangling the Berry phase values from the Zeeman effect and the orbital magnetic moment is often challenging. In centrosymmetric compounds, the case is simpler as the orbital magnetic moment contribution is negligible. Although the Zeeman effect can be significant, it is usually overlooked in most studies of QOs in centrosymmetric compounds. Here, we present a detailed study on the nonmagnetic centrosymmetric SrGa 2 and BaGa 2 , which are predicted to be Dirac nodal line semimetals based on density functional theory (DFT) calculations. Evidence of the nontrivial topology is found in magnetotransport measurements. The Fermi surface topology and band structure are carefully studied through a combination of angle-dependent QOs, angle-resolved photoemission spectroscopy (ARPES), and DFT calculations, where the nodal line is observed in the vicinity of the Fermi level. Strong de Haas–van Alphen fundamental oscillations associated with higher harmonics are observed in both compounds, which are well fitted by the Lifshitz-Kosevich (LK) formula. However, even with the inclusion of higher harmonics in the fitting, we found that the Berry phases cannot be unambiguously determined when the Zeeman effect is included. We revisit the LK formula and analyze the phenomena and outcomes that were associated with the Zeeman effect in previous studies. Our experimental results confirm that SrGa 2 and BaGa 2 are Dirac nodal line semimetals. Additionally, we highlight the often overlooked role of spin-damping terms in Berry phase analysis.

36 MATERIALS SCIENCE↗

Efficient analysis of small-angle scattering curves for large biomolecular assemblies using Monte Carlo methods

Structure elucidation from small-angle scattering curves of large biomolecular assemblies is notoriously challenging. This is because the simulation of high-resolution features in the structure of large macromolecular assemblies, such as de novo protein assemblies, is computationally demanding when it needs to cover a broad range of length scales. Conventional methods, such as the numerical approximation to the Debye equation or the use of spherical harmonics, do not scale well as the size of the assembly increases, which limits their application to small structures (e.g. individual proteins). This work explores the effectiveness of a Monte Carlo method to simulate and fit scattering curves for large biomolecular assemblies spanning over ranges covering atomic and molecular detail (e.g. spacing and orientation of proteins in an assembly) as well as large-scale (hundreds of nanometres) features. Owing to its speed and scalability, it can be combined with a fitting algorithm to extract structural features from experimental small-angle scattering curves in biomolecular assemblies that are otherwise intractable for interpretation. This work first demonstrates the effectiveness of the tool using experimental small-angle X-ray scattering (SAXS) data from tile-like proteins that assemble into 1D tube-like macromolecular structures. Here, the diameter distribution of tubes is extracted from SAXS fits, and this is quantitatively compared with distributions from electron microscopy. SAXS data are also obtained from 2D sheet-like protein assemblies, and the proposed method is used to quantify structural features such as the separation distance between protein building blocks and the flexing of the sheet. An open-source implementation of the methodology is provided for use in a broad range of biological systems involving multi-scale scattering analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mapping Thermal Conductivity at the Atomic Scale: A Step toward the Thermal Design of Materials

We describe a spatial decomposition of the thermal conductivity, termed site-projected thermal conductivity, which quantifies the thermal conduction activity at each atomic site—a critical parameter for the thermal design of materials. The method is based on the Green–Kubo formula and the harmonic approximation and requires the force-constant and dynamical matrices, as well as a relaxed structural model. Throughout the study, it uses high quality models previously tested and compared to many experiments. It discusses the method and underlying approximations for amorphous silicon, carries the detailed analysis for amorphous silicon, and then examines an amorphous-crystal silicon interface and representative carbon materials. This study identifies the sites and local structures that reduce heat transport, and quantify these (estimate the spatial range) over which these “thermal defects” are effective. It identifies filamentary structures in the amorphous silicon network which impact heat transport and electronic structure (the Urbach edge) and electronic transport.

36 MATERIALS SCIENCE↗

Global monthly sectoral water use for 2010–2100 at 0.5° resolution across alternative futures

Water usage is closely linked with societal goals that are both local and global in scale, such as sustainable development and economic growth. It is therefore of value, particularly for long-term planning, to understand how future sectoral water usage could evolve on a global scale at fine resolution. Additionally, future water usage could be strongly shaped by global forces, such as socioeconomic and climate change, and the multi-sector dynamic interactions those forces create. We generate a novel global gridded monthly sectoral water withdrawal and consumption dataset at 0.5° resolution for 2010–2100 for a diverse range of 75 scenarios. The scenarios are harmonized with the five Shared Socioeconomic Pathways (SSPs) and four Representative Concentration Pathways (RCPs) scenarios to support its usage in studies evaluating the implications of uncertain human and earth system change for future global and regional dynamics. To generate the data, we couple the Global Change Analysis Model (GCAM) with a land use spatial downscaling model (Demeter), a global hydrologic framework (Xanthos), and a water withdrawal downscaling model (Tethys).

54 ENVIRONMENTAL SCIENCES↗

Clustering Algorithm for AM Parts using GSH and EDT with Autoencoder

SAND2025-10103O The Clustering Algorithm for AM Parts Using GSH and (EDT With Autoencoder is a software tool. It uses a clustering algorithm for additive manufacturing (AM) parts using generalized spherical harmonics (GSH) and Euclidean distance transform (EDT) with an autoencoder to quantify material microstructure. The tool offers improved sensitivity to microstructural changes compared to traditional approaches. The tool integrates multiple microstructural properties, such as grain morphology, crystallographic orientation, and material phase information, to provide a comprehensive analysis of material microstructures. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Rodgers, Theron [Sandia National Lab. (SNL-CA), Li↗

Excitation of the ordinary electromagnetic mode in low-beta plasmas

The excitation of the ordinary mode propagating perpendicular to an external magnetic field in a plasma is discussed for the case where the ratio of the kinetic energy associated with electron motion parallel to the external magnetic field to the energy density of the magnetic field is low. The analysis is performed for plasma in which in addition to the thermal electrons there is a hot anisotropic electron component. Relativistic effects are taken into account in the stability analysis. Both a ring distribution and a loss cone distribution are used to model the hot electron species. For the ring distribution typical growth rates are larger than that for the case of the loss cone distribution. Excitation of the ordinary mode is found at numerous harmonics of the cyclotron frequency for the ring distribution, however, the loss cone distribution is found to give instability primarily at the fundamental harmonic.

Freund, H. P.↗

Approximate theory of large-amplitude wave propagation

An orbit perturbation procedure is applied to the description of monochromatic, large-amplitude, electrostatic plasma wave propagation. In the lowest-order approximation, untrapped electrons are assumed to follow constant-velocity orbits and trapped electrons are assumed to execute simple harmonic motion. The deviations of these orbits from the actual orbits are regarded as perturbations. The nonlinear damping rate and frequency shift are then obtained in terms of simple functions. The results are in good agreement with previous less approximate analyses. A significant feature of the analysis is that it treats a single wave by techniques previously applied to turbulent spectra. The analysis can consequently be extended to the case of a large-amplitude wave interacting with a lower-amplitude spectrum of waves.

Kim, H.↗

Interplanetary radio storms. 2: Emission levels and solar wind speed in the range 0.05-0.8 AU

Storms of interplanetary type III radio bursts (IP storms) are commonly observed in the interplanetry medium by the ISEE-3 radio instrument. This instrument has the capability of accurately determining the arrival direction of the radio emission. At each observing frequency, the storm radio sources are tracked as they cross the line-of-sight to the Sun. Usng a simple model, the emission levels are determined at a number of radio frequencies for four separate storms. The IP storm radiation is found to occur in regions of enhanced density at levels of 0.05 to 0.8 AU. The density in these enhancements falls off faster than R(-2). The solar wind speed in the storm region is also measured. The analysis is consistent with steady conditions in the storm region during a few days around the central meridian passage of the storm. The comparison with average in situ density measurements compiled from the HELIOS 1-2 observations favors type III storm burst radio emission at the harmonic of the local plasma frequency.

Bougeret, J. L.↗

Theory and simulations of broadband electrostatic noise in the geomagnetic tail

The excitation mechanism for broadband electrostatic noise (BEN) and the effects of BEN particles in the geomagnetic tail are examined using the linear analysis theory and particle simulations. The linear theory for electrostatic instabilities is discussed. The plasma sheet particle population is simulated using counter-streaming cold ion beams, and warm ions and electrons. The ion-ion instability, ion-acoustic mode, and the electrostatic ion cyclotron harmonic waves are studied. The velocity distributions, electric field intensity, and electron plasma waves for the plasma sheet boundary layer are evaluated. The frequency wave spectrum and particle distributions are computed and analyzed. The conditions for the two simulations, which differ only in beam ion drift speed, are described; it is observed that in the first simulation the dominate modes propagate parallel to the magnetic field and in the second simulation the propagation modes are oblique. The simulation data reveal that when beam temperature is smaller than plasma sheet temperature ion-acoustic and ion-ion instabilities grow to large amplitudes heating both electrons and ions. The data are compared to ISEE-1 observations and good correlation is obtained.

Ashour-Abdalla, M.↗

An eastward propagating compressional Pc 5 wave observed by AMPTE/CCE in the postmidnight sector

This paper presents a detailed analysis of a compressional Pc 5 wave observed in the postmidnight sector on July 21, 1986, using data from the magnetometer, the charge-energy-mass spectrometer, and the medium-energy particle analyzer aboard the AMPTE/Charge Composition Explorer (CCE) spacecraft. The Pc 5 wave exhibited harmonically related transverse and compressional magnetic oscillations, modulation of the flux of medium energy protons, and a large azimuthal wave number, i.e., properties that are similar to those of compressional Pc5 waves observed previously at geostationary orbit. The unique observations recorded by the AMPTE/CCE included the occurrence of the wave in the postmidnight sector, its sunward propagation with respect to the spacecraft, and the left-handed polarization of the perturbed magnetic field. In spite of the morphological uniqueness observed, the excitation of the July 21 event is considered to be due to the same type of instability as operates at geostationary orbit.

Takahashi, K.↗

Rotorcraft blade/vortex interaction noise - Its generation, radiation, and control

Recent results are presented from several research efforts aimed at the understanding of rotorcraft blade-vortex interaction noise generation, directivity, and control. The results are based on work performed by researches at the NASA Langley Research Center, both alone and in collaboration with other research organizations. Based on analysis of a simplified physical model, the critical parameters controlling the noise generation are identified. Detailed mapping of the acoustic radiation field reveals the extreme sensitivity of directivity to rotor advance ratio and disk attitude. A means of controlling blade-vortex interaction noise by higher harmonic pitch control is discussed.

Preisser, J. S.↗

Geoid Recovery Using Geophysical Inverse Theory Applied to Satellite to Satellite Tracking Data

This report describes a new method for determination of the geopotential, or the equivalent geoid. It is based on Satellite-to-Satellite Tracking (SST) of two co-orbiting low earth satellites separated by a few hundred kilometers. The analysis is aimed at the GRACE Mission, though it is generally applicable to any SST data. It is proposed that the SST be viewed as a mapping mission. That is, the result will be maps of the geoid or gravity, as contrasted with determination of spherical harmonics or Fourier coefficients. A method has been developed, based on Geophysical Inverse Theory (GIT), that can provide maps at a prescribed (desired) resolution and the corresponding error map from the SST data. This computation can be done area by area avoiding simultaneous recovery of all the geopotential information. The necessary elements of potential theory, celestial mechanics, and Geophysical Inverse Theory are described, a computation architecture is described, and the results of several simulations presented. Centimeter accuracy geoids with 50 to 100 km resolution can be recovered with a 30 to 60 day mission.

Gaposchkin, E. M.↗

Further Examination of the Vibratory Loads Reduction Results from the NASA/ARMY/MIT Active Twist Rotor Test

The vibration reduction capabilities of a model rotor system utilizing controlled, strain-induced blade twisting are examined. The model rotor blades, which utilize piezoelectric active fiber composite actuators, were tested in the NASA Langley Transonic Dynamics Tunnel using open-loop control to determine the effect of active-twist on rotor vibratory loads. The results of this testing have been encouraging, and have demonstrated that active-twist rotor designs offer the potential for significant load reductions in future helicopter rotor systems. Active twist control was found to use less than 1% of the power necessary to operate the rotor system and had a pronounced effect on both rotating- and fixed-system loads, offering reductions in individual harmonic loads of up to 100%. A review of the vibration reduction results obtained is presented, which includes a limited set of comparisons with results generated using the second-generation version of the Comprehensive Analytical Model of Rotorcraft Aerodynamics and Dynamics (CAMRAD II) rotorcraft comprehensive analysis.

Wilbur, Matthew L.↗

Convergent perturbation analysis of intense coherent multiphoton interactions

Use has been made of flow graphs to deduce Feenberg perturbation expansions for radiative interactions. It is demonstrated that these expansions can in certain cases be summed to provide closed form expressions for the molecular response. In particular, it is shown that the coherent state response can be obtained by the summation of a continued fraction perturbation expansion for the harmonic oscillator. Anharmonicity in the lower levels is treated and its shown to introduce Rabi flopping identifiable with multiphoton transitions among isolated tightly coupled subsystems of levels. Relevance to laser induced multiphoton excitation and energy level shift calculations in the presence of a strong field are also discussed.

Gower, M. C.↗

Spherical harmonic representation of the gravity field of Mars using a short-arc technique

Planetary gravity fields are primarily determined from Doppler tracking of orbiting spacecraft which are typically in high eccentricity orbits. Thus, the non-central gravitational components perturb the orbit primarily in the vicinity of periapsis. To find a computationally efficient technique and to reduce the influence of unmodeled forces on the spacecraft, an analysis has been performed of the effectiveness of processing only data in the vicinity of periapsis using multiple short arcs. Mariner 9 data are processed for the study, using 1, 2, 3 and 4 hour arcs and estimating gravity fields from 4th through 7th degree. The resulting gravity fields are inter-compared and also compared with previously published results.

Daniels, E. F.↗

Multilevel Switched-Capacitor AC–DC Step-Down Rectifier for Wireless Charging With Reduced Conduction Loss and Harmonic Content

In this paper, a wireless charging architecture employing a multilevel switched-capacitor (MSC) AC-DC rectifier is investigated. The proposed MSC rectifier features a multilevel design which is scalable to accommodate different power ratings and load ranges. The topology showcases advantages for wireless power transfer (WPT) systems in terms of compactness, efficiency, impedance tunability, and harmonic attenuation. The single-stage active topology is capable of varying its low-distortion staircase input voltage to tune the wireless power transfer system for high system-wide efficiency. A 7-level, 20 W prototype is used to verify the WPT loading and loss analysis. The prototype operates at 150 kHz with up to 3:1 step-down conversion ratio to an output voltage of 5.0 V. The experimental peak DC-to-DC efficiency is 93.8% and the rectifier peak efficiency is 98.3%. As a result. the rectifier demonstrates low waveform distortion and high efficiency across many WPT loading conditions, solidifying its place as a strong candidate for wireless power applications.

42 ENGINEERING↗

Investigation of a geodesy coexperiment to the Gravity Probe B relativity gyroscope program

Geodesy is the science of measuring the gravitational field of and positions on the Earth. Estimation of the gravitational field via gravitation gradiometry, the measurement of variations in the direction and magnitude of gravitation with respect to position, is this dissertation's focus. Gravity Probe B (GP-B) is a Stanford satellite experiment in gravitational physics. GP-B will measure the precession the rotating Earth causes on the space time around it by observing the precessions of four gyroscopes in a circular, polar, drag-free orbit at 650 km altitude. The gyroscopes are nearly perfect niobium-coated spheres of quartz, operating at 1.8 K to permit observations with extremely low thermal noise. The permissible gyroscope drift rate is miniscule, so the torques on the gyros must be tiny. A drag-free control system, by canceling accelerations caused by nongravitational forces, minimizes the support forces and hence torques. The GP-B system offers two main possibilities for geodesy. One is as a drag-free satellite to be used in trajectory-based estimates of the Earth's gravity field. We described calculations involving that approach in our previous reports, including comparison of laser only, GPS only, and combined tracking and a preliminary estimate of the possibility of estimating relativistic effects on the orbit. The second possibility is gradiometry. This technique has received a more cursory examination in previous reports, so we concentrate on it here. We explore the feasibility of using the residual suspension forces centering the GP-B gyros as gradiometer signals for geodesy. The objective of this work is a statistical prediction of the formal uncertainty in an estimate of the Earth's gravitation field using data from GP-B. We perform an instrument analysis and apply two mathematical techniques to predict uncertainty. One is an analytical approach using a flat-Earth approximation to predict geopotential information quality as a function of spatial wavelength. The second estimates the covariance matrix arising in a least-squares estimate of a spherical harmonic representation of the geopotential using GP-B gradiometer data. The results show that the GP-B data set can be used to create a consistent estimate of the geopotential up to spherical harmonic degree and order 60. The formal uncertainty of all coefficients between degrees 5 and 50 is reduced by factors of up to 30 over current satellite-only estimates and up to 7 over estimates which include surface data. The primary conclusion resulting from this study is that the gravitation gradiometer geodesy coexperiment to GP-B is both feasible and attractive.

Everitt, C. W. F.↗