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At least 1,135 records · Page 63

Circumventing data imbalance in magnetic ground state data for magnetic moment predictions

Abstract Magnetic materials play a crucial role in the transition to more sustainable forms of energy and electric vehicles. There is an anticipated shortage in magnetic materials in the future, and as a result there is an urgent need to discover and design new magnetic materials. Computational magnetic material design using density functional theory is daunting because of the challenge in identifying magnetic ground states from a combinatorially large set of possibilities. Machine learning offers a path forward by enabling efficient surrogate models that can more readily enumerate these states, but there is a dearth of training data available, and what is available tends to be imbalanced with too much non-magnetic data. In this work we show that the discrete and previously tackled data imbalance that exists at the level of the magnetic ordering leads to an imbalanced continuous distribution with many zeros when the data is unraveled at the atomic magnetic moment level, which subsequently leads to models with low accuracy for magnetic properties. We mitigate this by using a two-part model framework. Our scheme is able to classify atoms into magnetic and non-magnetic with an F1 score and Matthew’s correlation coefficient (MCC) of ~91% and then to provide an implicit embedding representation that maps directly onto the magnitude of the magnetic moment with a mean absolute error of 0.1 μ B . Beyond screening for new magnetic materials, we demonstrate an additional practical use case of our scheme: the provision of good initial guesses for magnetic moments in first-principles electronic relaxations. Such initialization is shown to lead to faster convergence to configurations that lie closer to the ground state.

Computer Science↗

Random strain induced correlations in materials with intertwined nematic and magnetic orders

Electronic nematicity is rarely observed as an isolated instability of a correlated electron system. Instead, in iron pnictides and in certain cuprates and heavy-fermion materials, nematicity is intertwined with an underlying spin-stripe or charge-stripe state. As a result, random strain, ubiquitous in any real crystal, creates both random-field disorder for the nematic degrees of freedom and random-bond disorder for the spin or charge ones. Here, we put forward an Ashkin-Teller model with random Baxter fields to capture the dual role of random strain in nematic systems for which nematicity is a composite order arising from a stripe state. Using Monte Carlo to simulate this random Baxter-field model, we find not only the expected break-up of the system into nematic domains, but also the emergence of nontrivial disorder-promoted magnetic correlations. Such correlations enhance and tie up the fluctuations associated with the two degenerate magnetic stripe states from which nematicity arises, leaving characteristic signatures in the spatial profile of the magnetic domains, in the configurational space of the spin variables, and in the magnetic noise spectrum. We discuss possible experimental manifestations of these effects in iron-pnictide superconductors. Furthermore, our work establishes the random Baxter-field model as a more complete alternative to the random-field Ising model to describe complex electronic nematic phenomena in the presence of disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Daily modulations and broadband strategy in axion searches: An application with the CAST-CAPP detector

It has been previously advocated that the presence of the daily and annual modulations of the axion flux on the Earth’s surface may dramatically change the strategy of the axion searches. The arguments were based on the so-called Axion Quark Nugget (AQN) dark matter model which was originally put forward to explain the similarity of the dark and visible cosmological matter densities Ω dark ∼ Ω visible . In this framework, the population of galactic axions with mass 10 − 6 eV ≲ m a ≲ 10 − 3 eV and velocity ⟨ v a ⟩ ∼ 10 − 3 c will be accompanied by axions with typical velocities ⟨ v a ⟩ ∼ 0.6 c emitted by AQNs. Furthermore, in this framework, it has also been argued that the AQN-induced axion daily modulation (in contrast with the conventional weakly interactive massive particle paradigm) could be as large as (10–20)%, representing the main motivation for the present investigation. We argue that the daily modulations along with the broadband detection strategy can be very useful tools for the discovery of such relativistic axions. The data from the CAST-CAPP detector have been used following such arguments. Unfortunately, due to the dependence of the amplifier chain on temperature-dependent gain drifts and other factors, we could not conclusively show the presence or absence of a dark sector-originated daily modulation. However, this proof of principle analysis procedure can serve as a reference for future studies. Published by the American Physical Society 2025

Caspers, F.↗

Multi-Stage FNO

This is the code developed for paper - Reducing Frequency Bias of Fourier Neural Operators in 3D Seismic Wavefield Simulations Through Multi-Stage Training (https://arxiv.org/abs/2503.02023), it contains training the multi-stage FNO model to generate the seismic forward simulations in 3D medium.

Kong, Qingkai [Lawrence Livermore National Laborat↗

Plutonium Oxidation State Distribution under WIPP Relevant Conditions (Rev. 2)

The oxidation state of plutonium in the Waste Isolation Pilot Plant (WIPP) environment has been a topic of interest since the initial compliance certification application. Plutonium (Pu) was initially expected to be present primarily as Pu(IV), but since the presence of Pu(III) could not be ruled out, it was also included in performance assessment (PA) calculations. The redox of the other variant actinides, uranium (U) and neptunium (Np), are also coupled to the plutonium redox. This led to a position in performance assessment calculations that is commonly referred to as “50/50”. In which half of the PA realizations assume solubility is dominated by the low oxidation state [U(IV), Np(IV), Pu(III)] and the other half assume solubility is dominated by the higher oxidation state [U(VI), Np(V), Pu(IV)]. Recently, a joint group of WIPP project participants from Los Alamos National Laboratory (LANL), Sandia National Laboratories (SNL), and the Department of Energy’s Carlsbad Field Office (DOE-CBFO) agreed on a new path forward for the oxidation state model in PA which will decouple the redox active actinides and will instead consider their redox as a function of E h . This will take the current binary approach and turn it into a system with four possible redox states.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Polarimetric Properties of Event Horizon Telescope Targets from ALMA

We present the results from a full polarization study carried out with the Atacama Large Millimeter/submillimeter Array (ALMA) during the first Very Long Baseline Interferometry (VLBI) campaign, which was conducted in 2017 April in the λ3 mm and λ1.3 mm bands, in concert with the Global mm-VLBI Array (GMVA) and the Event Horizon Telescope (EHT), respectively. We determine the polarization and Faraday properties of all VLBI targets, including Sgr A*, M87, and a dozen radio-loud active galactic nuclei (AGNs), in the two bands at several epochs in a time window of 10 days. We detect high linear polarization fractions (2%–15%) and large rotation measures (RM > 10 3.3 –10 5.5 rad m -2 ), confirming the trends of previous AGN studies at millimeter wavelengths. We find that blazars are more strongly polarized than other AGNs in the sample, while exhibiting (on average) order-of-magnitude lower RM values, consistent with the AGN viewing angle unification scheme. For Sgr A* we report a mean RM of (-4.2 ± 0.3) × 10 5 rad m -2 at 1.3 mm, consistent with measurements over the past decade and, for the first time, an RM of (–2.1 ± 0.1) × 10 5 rad m -2 at 3 mm, suggesting that about half of the Faraday rotation at 1.3 mm may occur between the 3 mm photosphere and the 1.3 mm source. We also report the first unambiguous measurement of RM toward the M87 nucleus at millimeter wavelengths, which undergoes significant changes in magnitude and sign reversals on a one year timescale, spanning the range from -1.2 to 0.3 × 10 5 rad m -2 at 3 mm and -4.1 to 1.5 × 10 5 rad m -2 at 1.3 mm. Given this time variability, we argue that, unlike the case of Sgr A*, the RM in M87 does not provide an accurate estimate of the mass accretion rate onto the black hole. We put forward a two-component model, comprised of a variable compact region and a static extended region, that can simultaneously explain the polarimetric properties observed by both the EHT (on horizon scales) and ALMA (which observes the combined emission from both components). These measurements provide critical constraints for the calibration, analysis, and interpretation of simultaneously obtained VLBI data with the EHT and GMVA.

79 ASTRONOMY AND ASTROPHYSICS↗

Augmented Kalman filter with a reduced mechanical model to estimate tower loads on a land-based wind turbine: a step towards digital-twin simulations

This article presents an application of the Kalman filtering technique to estimate loads on a wind turbine. The approach combines a mechanical model and a set of measurements to estimate signals that are not available in the measurements, such as wind speed, thrust, tower position, and tower loads. The model is severalfold faster than real time and is intended to be run online, for instance, to evaluate real-time fatigue life consumption of a field turbine using a digital twin, perform condition monitoring, or assess loads for dedicated control strategies. The mechanical model is built using a Rayleigh–Ritz approach and a set of joint coordinates. We present a general method and illustrate it using a 2-degrees-of-freedom (DOF) model of a wind turbine and using rotor speed, generator torque, pitch, and tower-top acceleration as measurement signals. The different components of the model are tested individually. The overall method is evaluated by computing the errors in estimated tower-bottom-equivalent moment from a set of simulations. From this preliminary study, it appears that the tower-bottom-equivalent moment is obtained with about 10 % accuracy. The limitation of the model and the required steps forward are discussed.

17 WIND ENERGY↗

Experimental investigation of model variable-geometry and ogee tip rotors.

An experimental investigation was conducted to systematically explore the effects of inter-blade spatial relationships and pitch variations on rotor performance and wake geometry. Variable-geometry rotors consisting of various combinations of blade length, axial spacing, azimuth spacing, and collective pitch were tested at model scale in hover and forward flight. In addition, a hover test of a rotor with an ogee blade tip design was conducted to determine its performance and wake characteristics. The results of this investigation indicate that several variable-geometry rotor configurations can offer substantial improvements in hover performance without adversely affecting forward flight performance.

Landgrebe, A. J.↗

A parametric study of effect of forebody shape on flow angularity at Mach 8

Flow angularity and static pressure measurements have been made on the lower surface of nine forebody models that simulate the bottom forward surface of a hypersonic aircraft. Measurements were made in an area of the forebody that represents the location of an inlet of a scramjet engine. A parametric variation of the forebody surface investigated the effect of: (1) spanwise curvature; (2) longitudinal curvature; and (3) planform shape on both flow angularity and static pressure distribution. Results of each of the three parametric variations of geometry were compared to those for the same flat delta forebody. Spanwise curvature results showed that a concave shape and the flat delta had the lowest flow angularity and lowest rate of increase in flow angularity with angle of attack. Longitudinal curvature results showed a convex surface to give the better flow at the higher angles of attack. The better of the two planform shapes tested was a convex elliptical shape. Limited flow field calculations were made at angles of attack using a three dimensional, method-of-characteristics program. In general, at all angles of attack there was agreement between data and theory.

Johnson, C. B.↗

Results of phase change heat transfer test OH51 using 0.006-scale space shuttle orbiter models 46-0 and 90-0 and partial wing 0.0175-scale model 64-0 in the LaRC 31-inch CFHT

Test OH51 was a phase change paint test conducted in the LaRC 31-inch CFHT utilizing models 46-0, 64-0, and 90-0. Model 46-0 represented the space shuttle configuration 139 Orbiter. Model 90-0 represented the configuration 140 Orbiter. Model 64-0 represented the forward 45% portion of the Orbiter wing. The partial wing was tested with a shock generator located at various positions relative to the wing. The test was conducted at Mach 10.0, angles of attack from 27.5 deg through 37.5 deg, and Reynolds numbers of 0.5 and 1.5 million per foot.

Cummings, J. W.↗

Low speed wind tunnel test of ground proximity and deck edge effects on a lift cruise fan V/STOL configuration, volume 1

The characteristics were determined of a lift cruise fan V/STOL multi-mission configuration in the near proximity to the edge of a small flat surface representation of a ship deck. Tests were conducted at both static and forward speed test conditions. The model (0.12 scale) tested was a four fan configuration with modifications to represent a three fan configuration. Analysis of data showed that the deck edge effects were in general less critical in terms of differences from free air than a full deck (in ground effect) configuration. The one exception to this was when the aft edge of the deck was located under the center of gravity. This condition, representative of an approach from the rear, showed a significant lift loss. Induced moments were generally small compared to the single axis control power requirements, but will likely add to the pilot work load.

Stewart, V. R.↗

Upper air forecasting for aviation in the United States

It is shown that the present forecast models used in the aviation digital forecast (ADF) product for automated flight planning in the U.S. did not improve in accuracy and precision over the past two decades. A new approach to the upper air forecasting is presented in the NASA/NOAA MERIT project. In MERIT, a concept of a tailored analysis is used, based on a high density automated aircraft report database (including radiosonde and satellite data), producing an accurate and precise description of the initial state of the atmosphere, and a relatively simple forecast model to move the forecast forward in time. The steadily updated 2-12 h forecasts provided every 3 h will be more efficient and accurate than the present 18 and 24 h forecasts provided every 12 hours.

Steinberg, R.↗

Simulations of light scattering in planetary rings

The current status of efforts to model light scattering in the Uranian and Saturnian rings is briefly reviewed, with an emphasis on the treatment of thin, vertically warped, or clumpy rings. Consideration is given to observations of an opposition surge in the rings (indicating that they are physically thick) and possible reasons for the failure of classical models to predict the forward-scattering characteristics of the B and inner A rings of Saturn, the quadrupole brightness variations in the A ring, the increase in reflectivity with optical depth in the A and B rings, the increase in brightness with solar and observer angle in the B ring, and systematic brightness variations in images of the inner Cassini division. It is pointed out that some of these discrepancies are eliminated by the use of a ray-tracing simulation code which determines the singly scattered light from a layer one or many particles thick.

Dones, L.↗

SDO Asks: What's The Sun Doing Now?

Solar observations have tended to emphasize events like flares and CMEs, and what leads to these events. The past decade has seen an increasing emphasis on understanding the entire Sun, from the nuclear reactions at the core to the development and loss of magnetic loops in the corona. The Solar Dynamics Observatory (SDO) will return synoptic data, taken at a regular cadence and covering the entire Sun. This means you can still study events, but can also move forward to producing a quantitative model of what the Sun is doing today. The science investigations of SDO will determine how the Sun's magnetic field is generated and structured, how this stored magnetic energy is released into the heliosphere and geospace as the solar wind, energetic particles, and variations in the solar irradiance. How SDO data will transform the study of the Sun and the affect on stellar astrophysics will be discussed.

Pesnell, W. D.↗

Impact Study of the Assimilation of Surface Sensitive Microwave Radiances in the GEOS

The aim of this study is to investigate the feasibility of assimilating low frequency microwave observations from different satellite Microwave radiometers such as the Advanced Microwave Sounding Unit-A (AMSU-A). These observations are relevant to the description of air temperature, humidity, and surface parameters such as ocean surface temperature. Their assimilation into Goddard Earth Observing System (GEOS) modeling and assimilation system helps better constrain models in regions where very few observations are assimilated. In recent years, Channels 1–4 and 15 have not been assimilated in GEOS because of their large sensitivities to uncertain surface parameters such as emissivity and skin temperature. Here, the impact of using different channels will be discussed. Also we investigate the validity of the emissivity model in these channels over ocean and sea ice.Radiative transfer calculations necessary for the assimilation of satellite radiances are performed using the Community Radiative Transfer Model (CRTM). The CRTM performs forward radiative transfer calculations of brightness temperature from atmospheric profiles (temperature, moisture, and ozone) and surface characteristics. Additionally, the CRTM calculates the Jacobians of brightness temperature with respect to the input . The Jacobians are for the inversion of these radiances within the Gridpoint Statistical Interpolation (GSI) analysis system. Here, For direct assimilation of the radiance observations, the interface between GSI and CRTM, is slightly modified. Finally, we validate the assimilation results, and discuss the impact of each channels in detail.

Ebrahimi, Hamideh↗

Overview of GSICS visible calibration methods.

Global Space-based Inter-Calibration System (GSICS) is an international collaborative effort initiated in 2005 by the World Meteorological Organization (WMO) and the Coordination Group for Meteorological Satellites (CGMS) to 1-monitor, 2-improve and 3-harmonize the quality of observations from operational weather and environmental satellites of the Global Observing System (GOS). GSICS aims at ensuring consistent accuracy among space-based observations worldwide for climate monitoring, weather forecasting, and environmental applications by 1-monitoring instrument performance, 2-operational inter-calibration of satellite instruments, 3-radiometrically scaling observations to absolute reference standards, 4-recalibration of archived datasets. Although many of the GSIC visible inter-calibration methods are based on medium pixel-level imagers such as MODIS, VIIRS, AVHRR, and geostationary sensors, the methods are applicable to high spatial resolution imagery such as Landsat. For sensor inter-calibration efforts, coincident ray-matched reflectance pairs are used to transfer the calibration from the reference to the target instrument. Spectral band adjustment factors (SBAF) are applied to account for any spectral band differences. For sensor stability monitoring, PICS, deep convective cloud (DCC) and polar ice Earth viewed targets are utilized. GSICS uses the moon for stability monitoring by using the GSICS Implementation of the USGS Robotic Lunar Observatory (ROLO) model (GIRO). GSICS is looking forward to the launch of CLARREO on the international space station (ISS) in 2023. The CLARREO hyperspectral reflective solar band (RSB) sensor will establish an absolute calibration reference in space, which will characterize invariant targets and will inter-calibrate concurrent sensors. Examples of these calibration methods will be presented at the workshop.

Visible calibration methods↗

Synergistic Use of Hyperspectral UV-Visible OMI and Broadband Meteorological Imager MODIS Data for a Merged Aerosol Product

The retrieval of optimal aerosol datasets by the synergistic use of hyperspectral ultraviolet(UV)–visible and broadband meteorological imager (MI) techniques was investigated. The Aura Ozone Monitoring Instrument (OMI) Level 1B (L1B) was used as a proxy for hyperspectral UV–visible instrument data to which the Geostationary Environment Monitoring Spectrometer (GEMS) aerosol algorithm was applied. Moderate-Resolution Imaging Spectroradiometer (MODIS) L1B and dark target aerosol Level 2 (L2) data were used with a broadband MI to take advantage of the consistent time gap between the MODIS and the OMI. First, the use of cloud mask information from the MI infrared (IR) channel was tested for synergy. High-spatial-resolution and IR channels of the MI helped mask cirrus and sub-pixel cloud contamination of GEMS aerosol, as clearly seen in aerosol optical depth (AOD) validation with Aerosol Robotic Network (AERONET) data. Second, dust aerosols were distinguished in the GEMS aerosol-type classification algorithm by calculating the total dust confidence index (TDCI) from MODIS L1B IR channels. Statistical analysis indicates that the Probability of Correct Detection (POCD) between the forward and inversion aerosol dust models (DS) was increased from 72% to 94% by use of the TDCI for GEMS aerosol-type classification, and updated aerosol types were then applied to the GEMS algorithm. Use of the TDCI for DS type classification in the GEMS retrieval procedure gave improved single-scattering albedo (SSA) values for absorbing fine pollution particles (BC) and DS aerosols. Aerosol layer height (ALH) retrieved from GEMS was compared with Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) data, which provides high-resolution vertical aerosol profile information. The CALIOP ALH was calculated from total attenuated backscatter data at 1064 nm, which is identical to the definition of GEMS ALH. Application of the TDCI value reduced the median bias of GEMS ALH data slightly. The GEMS ALH bias approximates zero, especially for GEMS AOD values of>~0.4 and GEMS SSA values of<~0.95.Finally, the AOD products from the GEMS algorithm and MI were used in aerosol merging with the maximum-likelihood estimation method, based on a weighting factor derived from the standard deviation of the original AOD products. With the advantage of the UV–visible channel in retrieving aerosol properties over bright surfaces, the combined AOD products demonstrated better spatial data availability than the original AOD products, with comparable accuracy. Furthermore, pixel-level error analysis of GEMS AOD data indicates improvement through MI synergy.

aerosol↗

Orbital Debris Shape Effect Investigations for Mitigating Risk

NASA’s Orbital Debris Program Office (ODPO) and Hypervelocity Impact Technology (HVIT) team have coordinated to better understand the risks to upper stages and spacecraft from non-spherical orbital debris. It is well understood that fragmentation (collision or explosion) events in orbit produce fragments of various materials, sizes, and shapes. To further characterize these parameters, the ODPO is developing the next-generation Orbital Debris Engineering Model (ORDEM) version 4.0 to include orbital debris shape distributions. Ground-based assets, such as radar and optical sensors, can provide size estimates and some insight into material based on radar return or optical filter photometry/spectroscopy, respectively. Characterizing an object’s shape requires more laboratory analyses to infer how shape affects these measurements. More importantly, in addition to size and material/density, the shape of fragments in orbit will alter the ballistic limit equations used in orbital debris risk assessments with NASA’s Bumper Code. The ODPO plans to release ORDEM 4.0 in the coming years. Performing ground-based laboratory impact tests on high-fidelity spacecraft mockups provides the means to directly measure size, mass, material/density, and shape of fragments, all key parameters needed to characterize real-world break up events. The DebriSat test, the results of which are provided, showcases the details of this type of experiment. The goal of this collaborative research between the ODPO and the HVIT team is to include a shape parameter in the environmental and breakup models used to assess risk for various space structures. This paper examines ground-based laboratory impact tests and the associated fragment shape categories. Provided these defined shapes, the approach is simplified by assuming a right circular cylinder (RCC) approximation with varying length-to-diameter ratios. Highlights of impact tests conducted by the HVIT team using non-spherical projectiles based on the RCC approximation are presented. Hydrocode simulations have also been performed to expand on the complexity of variations with non-spherical projectiles. Lastly, ray-tracing simulations of various RCCs of known material are provided to support the ongoing research on optical reflectance distributions with known shapes and to highlight how this may modify the current optical size estimation model. The status and plan forward are outlined for NASA's orbital debris shape effect investigation using a multidisciplinary approach by the ODPO and the HVIT team.

Heather Cowardin↗