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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 OSTI2024

Hidden non-collinear spin-order induced topological surface states

Abstract Rare-earth monopnictides are a family of materials simultaneously displaying complex magnetism, strong electronic correlation, and topological band structure. The recently discovered emergent arc-like surface states in these materials have been attributed to the multi-wave-vector antiferromagnetic order, yet the direct experimental evidence has been elusive. Here we report observation of non-collinear antiferromagnetic order with multiple modulations using spin-polarized scanning tunneling microscopy. Moreover, we discover a hidden spin-rotation transition of single-to-multiple modulations 2 K below the Néel temperature. The hidden transition coincides with the onset of the surface states splitting observed by our angle-resolved photoemission spectroscopy measurements. Single modulation gives rise to a band inversion with induced topological surface states in a local momentum region while the full Brillouin zone carries trivial topological indices, and multiple modulation further splits the surface bands via non-collinear spin tilting, as revealed by our calculations. The direct evidence of the non-collinear spin order in NdSb not only clarifies the mechanism of the emergent topological surface states, but also opens up a new paradigm of control and manipulation of band topology with magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Optical cycling on thorium monoxide for an improved test of fundamental symmetries

Optical cycling refers to repeated excitation and spontaneous emission on an electronic transition in an atom or molecule. Optical cycling in molecules can enable a wide range of quantum control and readout techniques, but unfortunately it has only been demonstrated on a small class of alkalilike or alkaline-earth-like molecules. Thorium monoxide (ThO), a molecule used in one of the most precise permanent electron electric dipole moment (eEDM) searches (ACME†) [Andreev et al., Nature (London) 562, 355 (2018)], does not fall into this category. In this work, we demonstrate the first optical cycling on this nonconventional class over a range of experimental parameter space, including laser intensity, polarization switching rate, and interaction time. We show that both the 𝐽 = 1 and 𝐽 = 2 rotational levels of ThO molecule are capable of cycling an average of 11(2) photons with a single laser, at scattering rates of 1.9⁢(6) × 10 6 and 2.3⁢(7) × 10 6 s −1 , respectively, before population is lost to other vibronic levels. We outline a scheme to apply this demonstrated optical cycling in an ACME-style eEDM measurement, improving the detection efficiency by over fourfold compared to noncycling fluorescence detection. This would lead to over a twofold enhancement in the statistical sensitivity of the eEDM search. This optical-cycling scheme can be further extended to scatter ∼100 photons, which would enable a wider range of quantum control and sensing using ThO molecules.

Atomic & molecular processes in external fields↗
DOE OSTI2026

On Transforming the Specific Force Vector for an ECEF Inertial Navigation System

An inertial measurement unit accumulates the instantaneous specific force applied to the sensor over a small window of time. Importantly, this accumulation occurs in the sensor’s frame, yet the specific force must be mathematically integrated in a different navigation frame, and these two frames may be rotating with respect to each other. Consequently, a correction is needed to not only account for the frame difference but also for the time variation in the frame difference. Many references provide derivations of this correction [1], but the derivation is often abbreviated, and important assumptions are sometimes left unstated. This memo addresses this gap and provides a clear derivation of the specific force transform with all assumptions specifically stated. This derivation is specific to the Earth-centered, Earth-fixed navigation frame, but, hopefully, the derivation is sufficiently clear that readers can apply it to other navigation frames. Generally, notation follows the same format as described in both [1, 2].

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Translating Fundamental Insights into Ag-Based Bimetallic Electrocatalysts to Anion-Exchange Membrane Fuel Cells

To address challenges of high costs and scalability for fuel cells, it is essential to develop af-fordable and earth-abundant materials that are Pt-group-metal (PGM)-free. Recent advance-ments in PGM-free electrocatalysis for the oxygen reduction reaction (ORR) in alkaline media show that high catalyst loadings are needed to achieve high reaction rates; however, there are associated mass transport limitations. To address this issue, we develop low-loading ionomer-less Ag-bimetallic thin films by alloying with 3d block elements or Sn. We bridge knowledge from fundamental rotating disk electrode (RDE) studies to gas-diffusion cathodes in high-temperature anion-exchange membrane fuel cells (HT-AEMFCs), resulting in high-activity ORR catalysis and peak power densities up to 1.2 W cm-² geo for the Ag-Sn and Ag-Co alloys. Here, experimental post-characterization and theoretical calculations reveal small Co or Sn oxide nano-islands on Ag as likely active sites enhancing ORR activity, ultimately offering these low-loading PGM-free ORR materials as a viable path towards sustainable energy conversion.

Catalysts↗
DOE OSTI2024

Anisotropic neutron star crust, solar system mountains, and gravitational waves

"Mountains" or non-axisymmetric deformations of rotating neutron stars (NS) efficiently radiate gravitational waves (GW). We consider analogies between NS mountains and surface features of solar system bodies. Both NS and moons such as Europa or Enceladus have thin crusts over deep oceans while Mercury has a thin crust over a large metallic core. Thin sheets may wrinkle in universal ways. Europa has linear features, Enceladus has "Tiger" stripes, and Mercury has lobate scarps. NS may have analogous features. The innermost inner core of the Earth is anisotropic with a shear modulus that depends on direction. If NS crust material is also anisotropic this will produce an ellipticity, when the crust is stressed, that grows with spin frequency. This yields a braking index (log derivative of spin down rate assuming only GW spin down) very different from n=5 and could explain the maximum spin observed for neutron stars and a possible minimum ellipticity of millisecond pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A mountain-induced moist baroclinic wave test case for the dynamical cores of atmospheric general circulation models

Idealized test cases for the dynamical cores of atmospheric general circulation models are informative tools to assess the accuracy of the numerical designs and investigate the general characteristics of atmospheric motions. A new test case is introduced that is built upon a baroclinically unstable base state with an added orographic barrier. The topography is analytically prescribed and acts as a trigger of both baroclinic Rossby waves and inertia–gravity waves on a rotating, regular-sized planet. Both dry and idealized moist configurations are suggested. The latter utilizes the Kessler warm-rain precipitation scheme. The test case enhances the complexity of the existing test suite hierarchy and focuses on the impacts of two midlatitudinal mountain ridges on the circulation. Selected simulation examples from four dynamical cores are shown. These are the Spectral Element and Finite Volume dynamical cores, which are part of the National Center for Atmospheric Research (NCAR) Community Earth System Model (CESM), versions 2.1.3 and 2.2, and the Cubed-Sphere Finite Volume dynamical cores, which is new to CESM version 2.2. In addition, the Model for Prediction Across Scales (MPAS) is tested. The overall flow patterns agree well in the four dynamical cores, but the details can vary greatly. The examples highlight the broad palette of use cases for the test case and reveal physics–dynamics coupling issues.

58 GEOSCIENCES↗
DOE OSTI2022

Incommensurate spin density wave and magnetocaloric effect in the metallic triangular lattice HoAl 2 Ge 2

Here, we report the magnetic structure and the magnetocaloric effect (MCE) of the ternary compound HoAl 2 Ge 2 with a trigonal CaAl 2 Si 2 -type crystal structure. A neutron powder diffraction experiment reveals that HoAl 2 Ge 2 exhibits an incommensurate spin density wave (SDW) with a propagation vector k=(0.23,0,0.06). The special arrangement of magnetic moments in HoAl 2 Ge 2 induces interesting physical phenomena and large magnetocaloric effects. The rise in resistivity at low temperatures indicates the effect of the SDW state in the electronic transport. The maximum magnetic-entropy change is –16.1J/kg K under a magnetic field change of 0–70 kOe for an isotropic HoAl 2 Ge 2 powder and it increases to –17.9J/kg K for a single crystal when the magnetic field (H) is applied parallel to the ab plane. A large rotating magnetic-entropy change of –5.1J/kg K for H=20 kOe in a HoAl 2 Ge 2 single crystal is obtained, which is closely associated to the magnetic anisotropy of the SDW order and its response to the external magnetic field. We discuss the large MCE in terms of the field-induced metamagnetic transition from the incommensurate SDW order to the ferromagnetic order. Our study establishes the triangular lattice R Al 2 Ge 2 (R=rare-earth elements) as a unique family of compounds to explore the existence of the incommensurate spin density waves and the correlated physical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Determination of single crystal elastic moduli of KTb3F10 by resonant ultrasound spectroscopy

KTb3F10 (KTF) has been developed in recent years as a candidate Faraday rotator material because of its cubic symmetry, high figures of merit, and low absorption coefficient. While considerable efforts have focused on crystal growth and optical properties, investigations of fundamental thermodynamic behavior of KTF have been limited. Here, we report elastic moduli C11, C12, and C44 of single crystalline KTF measured by resonant ultrasound spectroscopy from 280 K up to 300 K and the obtained temperature derivatives of each modulus. We additionally report the single crystal elastic moduli of the rare-earth garnet Y3Al5O12 (YAG), yielding results that agree well with the prior literature. We found C11=135.62 GPa, C12=58.11 GPa, and C44=44.81 GPa for KTF and C11=332.43 GPa, C12=109.58 GPa, and C44=114.81 GPa for YAG at room temperature. The present results have been compared with previous experimental and theoretical results and with common oxide and fluoride optical materials, revealing the relative softness of KTF. The low elastic moduli of KTF are, in turn, responsible for its low thermal conductivity and low Debye frequency compared to other laser host materials.

Balodhi, Ashiwini (ORCID:0000000290496382)↗
DOE OSTI2023

Tools for Assessing Performance (TAP) Project: FY2023 Quarter 2 Report

LANL personnel presented TAP-sponsored work at the 103 rd Annual Meeting of the American Meteorological Society, which was held in Denver, CO in January 2023. There were four different presentations related to TAP-sponsored work that were given by LANL staff and studentsat this meeting: (1) Gloeckler, T., M. Nelson, H. Shah, M. Deshler, L. Wedell, R. Linn, N. Duboc, S. Pol, P. Bieringer, A. Annunzio, B. Martin, and H. Tinnesand, 2023. Testing Validity and Limitations of a Low-Order Diffusive Wake Model. 15 th Symposium on the Urban Environment, January 8-12, 2023, Denver, CO, U.S.A. (2) Nelson, M., H. Shah, T. Gloeckler, M. Deshler, L. Wedell, A. Ortega, R. Linn, N. Duboc, P. Conry, S. Pol, and H. Tinnesand, 2023. The Isolated Building Wake Experiment. Paper 1A.1. 24 th Symposium on Boundary Layers and Turbulence, January 8-12, 2023. Denver, CO, U.S.A. (3) Shah, H., M. Nelson, S. Pol, R. Linn, N. Duboc, and H. Tinnesand, 2023. Detailed Measurement of a Building Wake Under Real-World Atmospheric Conditions. Poster 102. 24 th Symposium on Boundary Layers and Turbulence, January 8-12, 2023, Denver, CO, U.S.A. (4) Wedell, L., M. Nelson, H. Shah, T. Gloeckler, M. Deshler, R. Linn, S. Pol, H. Tinnesand, 2023. The Isolated Building Wake Experiment: Using a Rotating Building to Mulitply the Number of Wake Measurement Locations without Moving the Instruments. Paper 1A.4A. 24 th Symposium on Boundary Layers and Turbulence, January 8-12, 2023, Denver, CO, U.S.A.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Can Biomass Burning Aerosol Induced Surface Cooling Be Amplified Through Sea Surface Temperature‐Cloud Feedback Over the Southeast Atlantic?

Biomass burning (BB) aerosols exert a strong surface cooling effect over the southeast Atlantic (SEA) via aerosol-radiation and aerosol-cloud interactions. The reduction of the sea surface temperature (SST) can trigger the SST-low cloud feedback. Whether this feedback can amplify the surface cooling effect is examined. The modeling results from the Community Earth System Model version 2 (CESM2) demonstrate that counterintuitively the cloud radiative effect (CRE) caused by the BB aerosols is weaker if SST-low cloud feedback is considered compared to fixed-SST simulation (-2.99 W m -2 vs. -4.79 W m -2 ). This is caused by (a) stronger sea breeze due to larger sea-land temperature contrast causing less smoke transport over SEA and (b) less moisture supply from surface due to colder SST. Changes in SST also lead to counterclockwise rotation of ocean circulation anomalies. Consequently, the excess heat transport from the equator reverses the direction of SST-cloud feedback in this region.

0305↗
DOE OSTI2026

Isomeric states in the neutron-rich 𝑁 = 108 nuclei 178 Yb and 179 Lu

A multinucleon transfer reaction with a 136 Xe beam and a gold-backed 176 Yb target populated isomers in N = 108 178 Yb and 179 Lu. The single decay from the t 1/2 = 203(16) ns isomer in 178 Yb to the I π = 4 + level in the ground-state band suggests a I π = 4 − assignment, and multiquasiparticle calculations associate this state with the K π = 4 − , ν 2 (1/2[510], 9/2[624]) configuration. At least two isomers were observed in 179 Lu. One likely couples the K π = 4 − configuration found in 178 Yb to the 9/2[514] quasiproton orbital to form a K π = 17/2 + level (t 1/2 = 1.0(4) µs) which primarily decays into the rotational band based on the 9/2[514] state. A second isomer was observed to decay into this same band, but at higher energy and spin. Based on its feeding pattern, its similarity to an isomer found in 181 Ta, and a multiquasiparticle calculation, it is proposed to correspond to a K π = 29/2 − state based on the π9/2[514]ν 2 (9/2[624], 11/2[615]) configuration. As a result, an analysis of the reduced hindrance factors for negative-parity, two-quasineutron isomers in the rare-earth region is presented as well.

150 ≤ A ≤ 189↗
DOE OSTI2022

AICCA: AI-Driven Cloud Classification Atlas

Clouds play an important role in the Earth’s energy budget, and their behavior is one of the largest uncertainties in future climate projections. Satellite observations should help in understanding cloud responses, but decades and petabytes of multispectral cloud imagery have to date received only limited use. This study describes a new analysis approach that reduces the dimensionality of satellite cloud observations by grouping them via a novel automated, unsupervised cloud classification technique based on a convolutional autoencoder, an artificial intelligence (AI) method good at identifying patterns in spatial data. Our technique combines a rotation-invariant autoencoder and hierarchical agglomerative clustering to generate cloud clusters that capture meaningful distinctions among cloud textures, using only raw multispectral imagery as input. Cloud classes are therefore defined based on spectral properties and spatial textures without reliance on location, time/season, derived physical properties, or pre-designated class definitions. We use this approach to generate a unique new cloud dataset, the AI-driven cloud classification atlas (AICCA), which clusters 22 years of ocean images from the Moderate Resolution Imaging Spectroradiometer (MODIS) on NASA’s Aqua and Terra instruments—198 million patches, each roughly 100 km × 100 km (128 × 128 pixels)—into 42 AI-generated cloud classes, a number determined via a newly-developed stability protocol that we use to maximize richness of information while ensuring stable groupings of patches. AICCA thereby translates 801 TB of satellite images into 54.2 GB of class labels and cloud top and optical properties, a reduction by a factor of 15,000. The 42 AICCA classes produce meaningful spatio-temporal and physical distinctions and capture a greater variety of cloud types than do the nine International Satellite Cloud Climatology Project (ISCCP) categories—for example, multiple textures in the stratocumulus decks along the West coasts of North and South America. We conclude that our methodology has explanatory power, capturing regionally unique cloud classes and providing rich but tractable information for global analysis. AICCA delivers the information from multi-spectral images in a compact form, enables data-driven diagnosis of patterns of cloud organization, provides insight into cloud evolution on timescales of hours to decades, and helps democratize climate research by facilitating access to core data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Thermal Management for a Novel Non-Heavy Rare-Earth Interior Permanent Magnet Machine

The work presents a thermal management solution for a novel non-heavy rare-earth permanent magnet machine being developed at Oak Ridge National Laboratory. The motor has been designed to minimize losses while maximizing performance for a range of speeds and power ratings. The novel motor design reduces rare-earth magnet usage, thereby avoiding supply chain issues. The motor component heat losses are established for operating windows and desired performance. These heat losses, along with windage losses, are being used to develop cooling solutions for different components of this machine. A novel thermal management solution for stators and rotors has been developed, and progress is presented in this paper. The stator cooling is achieved with the help of water-ethylene glycol flowing over the finned aluminum stator jacket, and rotor cooling with automatic transmission fluid passing through novel channels designed in the rotor laminations. The attempt is to establish effective cooling of the stator winding, laminations, and rotor magnets. A 3D conjugate heat transfer model has been developed for overall thermal analysis to establish a down- selected thermal management solution for the machine. The model, in addition to estimated component heat losses, includes windage losses and its impact on rotor and stator cooling. Overall, the work presents a workable thermal solution for the interior permanent magnet machine with potential for further improvements. Future work will involve establishing end winding and refinement of other end parts of the machine with the aim of establishing a robust thermal management solution. The work will also focus on different shapes (e.g., round, non-round, presence of wedges) of rotor-stator gaps and investigate windage losses and their impact on thermal management for higher rotational speeds for the machine.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Alkaline Earth-Based Ternary Chalcogenide Nanocrystals: Cadmium- and Lead-Free Optical Materials

As some of the most abundant elements on the Earth’s crust, alkaline earths bear great potential in Cd- and Pb-free catalytic, energy conversion, and light-emitting devices. Further, because large electropositive alkaline earths (Ae) can adopt high coordination numbers, they offer structural complexity beyond the tetrahedral (c-Si, II–VI, III–V) or octahedral (IV–VI) atomic sites that─with the notable exception of halide perovskites─are ubiquitous among nanocrystalline semiconductors. Here, in this work, we present a general route to photoluminescent 6–125 nm nanocrystals of ternary AeIn 2 Ch 4 semiconductors (Ae = Sr, Ba; Ch = S, Se) featuring eight- (Ae) as well as four-coordinate (In and Ch) atomic sites. Powder X-ray diffraction, electron microscopy, optical absorption, photoluminescence, and solid-state (ss)NMR spectroscopies attest to the ternary composition and phase purity of the nanocrystals. Continuous shape measures pinpoint the degree of distortion of individual crystallographic sites from ideal coordination polyhedra, allowing us to identify two very distinct types of Se coordination environments. Based on their higher order, pseudo-3-fold rotational symmetry, we assign 77 Se ssNMR peaks with negligible chemical shift anisotropy (CSA) to pyramidalized Se sites with vacant-trigonal bipyramid-like geometries and those with larger CSA to lower symmetry Se sites with seesaw-distorted geometries. Calculations help to better understand the electronic band structure of these materials. The nanocrystals are stable at room temperature in open air for several weeks, and some compositions up to 1000 °C under Ar, making them strong candidates for practical applications.

alkaline earth↗
DOE OSTI2022

Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides

Since the successful synthesis of bulk single crystals MoN 2 and ReN 2 , which have a layered structure, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth metal (Rem) elements, and propose seven stable Rem dinitride monolayers with a 1T structure, namely, 1T-RemN 2 . We use first-principles calculations, and find that these monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC), the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN 2 monolayer exhibits an isotropic magnetocrystalline anisotropy energy in the xy plane with in-plane magnetization, indicating easy tunability of the magnetization direction. Additionally, when rotating the magnetization vector in the xy plane, we propose a model that accurately describes the variation of the SOC band gap and the two possible topological states (Weyl-like semimetal and Chern insulator states) whose properties are tunable. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers (±1). The nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices.

2-dimensional systems↗
DOE OSTI2024

GRB 180128A: A second magnetar giant flare candidate from the Sculptor Galaxy

Magnetars are slowly rotating neutron stars that possess the strongest magnetic fields known in the cosmos (10 14 − 10 15 G). They display a range of transient high-energy electromagnetic activity. The brightest and most energetic of these events are the gamma-ray bursts (GRBs) known as magnetar giant flares (MGFs), with isotropic energies E iso ≈ 10 44 − 10 46 erg. Only seven MGF detections have been made to date: three unambiguous events occurred in our Galaxy and the Magellanic Clouds, and the other four MGF candidates are associated with nearby star-forming galaxies. As all seven identified MGFs are bright at Earth, additional weaker events likely remain unidentified in archival data. We conducted a search of the Fermi Gamma-ray Burst Monitor database for candidate extragalactic MGFs and, when possible, collected localization data from the Interplanetary Network (IPN) satellites. Our search yielded one convincing event, GRB 180128A. IPN localizes this burst within NGC 253, commonly known as the Sculptor Galaxy. The event is the second MGF in modern astronomy to be associated with this galaxy and the first time two bursts have been associated with a single galaxy outside our own. Here we detail the archival search criteria that uncovered this event and its spectral and temporal properties, which are consistent with expectations for a MGF. We also discuss the theoretical implications and finer burst structures resolved from various binning methods. Our analysis provides observational evidence of an eighth identified MGF.

Trigg, Aaron C. (ORCID:000900068598728X)↗
DOE OSTI2023

$S$ Hmax orientation in the Alpine region from observations of stress-induced anisotropy of nonlinear elasticity

The orientation of $S$ Hmax is commonly estimated from in situ borehole breakouts and earthquake focal mechanisms. Borehole measurements are expensive, and therefore sparse, and earthquake measurements can only be made in regions with many well-characterized earthquakes. Here, we derive the stress-field orientation using stress-induced anisotropy in nonlinear elasticity. In this method, we measure the strain derivative of velocity as a function of azimuth. We use a natural pump-probe (NPP) approach which consists of measuring elastic wave speed using empirical Green’s functions (probe) at different points of the earth tidal strain cycle (pump). The approach is validated using a larger data set in the Northern Alpine Foreland region where the orientation of maximum horizontal compressive stress is known from borehole breakouts and drilling-induced fractures. The technique resolves NNW-SSW to N-S directed $S$ Hmax which is in good agreement with conventional methods and the recent crustal stress model. We confirm that the NPP method can be applied to dense large-scale seismic arrays. The technique is then applied to the Southern Alps to understand the contemporary stress pattern associated with the ongoing deformation due to counterclockwise rotation of the Adriatic plate with respect to the European plate. Our results explain why the two major faults in Northeastern Italy, the Giudicarie Fault and the Periadriatic Line (Pustertal–Gailtal Fault) are currently inactive, while the currently acting stress field allows faults in Slovenia to deform actively. We have demonstrated that the pump-probe method has the potential to fill in the measurement gap left by conventional approaches, both in terms of regional coverage and in depth.

58 GEOSCIENCES↗
DOE OSTI2023

DEHP− extractant binding to trivalent lanthanide Er3+: Fast binding accompanied by concerted angular motions of hydration water

Solvent extraction of trivalent rare earth metal ions by organophosphorus extractants proceeds via binding of phosphoric acid headgroups to the metal ion. Water molecules in the tightly bound first hydration shell of the metal ions must be displaced by oxygen atoms from phosphoric acid headgroups. Here, we use classical molecular dynamics simulations to explore the event in which a fully hydrated Er3+ binds to its first phosphoric acid headgroup. Approach of the headgroup into the region between the first and second hydration shells leads to a fast ejection of a water molecule that is accompanied by reordering of the hydration water molecules, including discretization of their angular positions and collective rotation about the metal ion. The water molecule ejected from the first shell is located diametrically opposite from the binding oxygen. Headgroup binding places a headgroup oxygen closer to Er3+ than its first hydration shell and creates a loosely bound water that subsequently exchanges between the first shell and its environment. This second exchange of water also occurs at discrete angular positions. This geometrical aspect of binding may be of relevance to understanding the binding and transport of ion–extractant complexes that are expected to occur at the organic–aqueous liquid–liquid interface used in solvent extraction processes.

Chemistry↗