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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Experimental and theoretical investigation of FeCrVAl and related compounds

Abstract We have carried out a combined theoretical and experimental investigation of FeCrVAl, and the effect of Mn and Co doping on its structural, magnetic, and electronic band properties. Our first principles calculations indicate that FeCrVAl, FeCr 0.5 Mn 0.5 VAl, and FeCr 0.5 Co 0.5 VAl exhibit nearly perfect spin polarization, which may be further enhanced by mechanical strain. At the same time, FeCrV 0.5 Mn 0.5 Al and FeCrV 0.5 Co 0.5 Al exhibit a relatively small value of spin polarization, making them less attractive for practical applications. Using arc melting and high vacuum annealing, we synthesized three compounds FeCrVAl, FeCr 0.5 Mn 0.5 VAl, and FeCr 0.5 Co 0.5 VAl, which are predicted to exhibit high spin polarization. The room temperature x-ray diffraction patterns of all samples are fitted with full B2 type disorder with a small amount of FeO 2 secondary phase. All samples show very small saturation magnetizations at room temperature. The thermomagnetic curves M(T) of FeCrVAl and FeCr 0.5 Co 0.5 VAl are similar to that of a paramagnetic material, whereas that of FeCr 0.5 Mn 0.5 VAl indicates ferrimagnetic behavior with the Curie temperature of 135 K. Our findings may be of interest for researchers working on Heusler compounds for spin-based electronic applications.

Physics↗
DOE OSTI2022

H-AMR: A New GPU-accelerated GRMHD Code for Exascale Computing with 3D Adaptive Mesh Refinement and Local Adaptive Time Stepping

General relativistic magnetohydrodynamic (GRMHD) simulations have revolutionized our understanding of black hole accretion. Here, we present a GPU-accelerated GRMHD code H-AMR with multifaceted optimizations that, collectively, accelerate computation by 2–5 orders of magnitude for a wide range of applications. First, it introduces a spherical grid with 3D adaptive mesh refinement that operates in each of the three dimensions independently. This allows us to circumvent the Courant condition near the polar singularity, which otherwise cripples high-resolution computational performance. Second, we demonstrate that local adaptive time stepping on a logarithmic spherical-polar grid accelerates computation by a factor of ≲10 compared to traditional hierarchical time-stepping approaches. Jointly, these unique features lead to an effective speed of ~10 9 zone cycles per second per node on 5400 NVIDIA V100 GPUs (i.e., 900 nodes of the OLCF Summit supercomputer). We illustrate H-AMR's computational performance by presenting the first GRMHD simulation of a tilted thin accretion disk threaded by a toroidal magnetic field around a rapidly spinning black hole. With an effective resolution of 13,440 × 4608 × 8092 cells and a total of ≲22 billion cells and ~0.65 × 10 8 time steps, it is among the largest astrophysical simulations ever performed. We find that frame dragging by the black hole tears up the disk into two independently precessing subdisks. The innermost subdisk rotation axis intermittently aligns with the black hole spin, demonstrating for the first time that such long-sought alignment is possible in the absence of large-scale poloidal magnetic fields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

SKS Polarization Anomalies Due to the Coriolis Force

The Earth’s Coriolis force has been well–known to impact surface waves and normal modes, which is essential to accurately interpret these waves. However, the Coriolis force on body waves has been assumed to be negligible and mostly ignored. It has been previously shown that the Coriolis force impacts polarizations of shear waves, whereas the wavefronts remain unaffected. We expand on the potential influences of Earth’s Coriolis force on shear–wave polarization measurements by conducting 3D numerical simulations for elastic waves generated by earthquake and explosive sources in a radially symmetric, and 3D mantle and crustal models. The Coriolis force can produce polarization anomalies of mantle shear waves up to 7° and core phases, such as SKS and SKKS, up to 4°. Uncorrected shear–wave polarizations due to the Coriolis force can cause an additional source of error (5°–10° in fast direction, and 0.2–0.3 s delay time depending on the method and seismic phase), inaccurate interpretation of station misalignments, and imprecise estimates of the core–mantle boundary topography. We show how to correct for the Coriolis force on teleseismic shear waves using 1D ray tracing for well–isolated phases. Here, we recommend the use of full waveform simulations to accurately account for earthquake sources parameters, poorly isolated phases that could include interfering phase arrivals within the measurement time window, and the effect of the Coriolis force on the polarizations of shear waves.

58 GEOSCIENCES↗
DOE OSTI2020

Design of High Efficient Mid-Wavelength Infrared Polarizer on ORMOCHALC Polymer

While an organically modified chalcogenide (ORMOCHALC) can be used to fabricate a polymeric mid-wavelength infrared (MWIR) polarizer with competitive extinction ratio compared to the commercial wire-grid polarizers, which are composed of fragile inorganic materials, there is still a knowledge gap regarding the systematic design process to obtain high transmission efficiency and extinction ratio. As such, a computational parameter study for design optimization is conducted with the geometric parameters of the bilayer grating ORMOCHALC polarizer. The computational study shows that the Fabry–Pérot cavity is the primary mechanism that determines the transmission behaviors and the extinction ratio. A bilayer grating design, guided by the parameter study, is realized through the thermal nanoimprint and metal deposition processes. The extinction ratios measured with the Fourier-transform infrared are 245, 304, and 351 at the wavelength of 3, 4, and 5 μm, respectively. Compared to the state-of-the-art of the polymeric MWIR linear polarizers, the extinction ratio is improved by 1.4 times, and the transmission efficiency is increased by 2.5 times. Theoretical analysis with the multiple-layer model based on the transfer matrix method predicts a matched transmission behavior with the experiment and a full-wave electromagnetic simulation.

42 ENGINEERING↗
DOE OSTI2021

Global Polarization of Ξ and Ω Hyperons in Au + Au Collisions at s N N = 200 GeV

Global polarization of Ξ and Ω hyperons has been measured for the first time in Au+Au collisions at $\sqrt{s_{NN}}$=200 GeV. The measurements of the $Ξ^{-}$ and $\overline{Ξ}^{+}$ hyperon polarization have been performed by two independent methods, via analysis of the angular distribution of the daughter particles in the parity violating weak decay Ξ→Λ+π, as well as by measuring the polarization of the daughter Λ hyperon, polarized via polarization transfer from its parent. The polarization, obtained by combining the results from the two methods and averaged over $Ξ^{-}$ and $\overline{Ξ}^{+}$, is measured to be $\langle{P_{Ξ}}\rangle$=0.47±0.10(stat)±0.23(syst)% for the collision centrality 20%-80%. The $\langle{P_{Ξ}}\rangle$ is found to be slightly larger than the inclusive Λ polarization and in reasonable agreement with a multiphase transport model. The $\langle{P_{Ξ}}\rangle$ is found to follow the centrality dependence of the vorticity predicted in the model, increasing toward more peripheral collisions. Finally, the global polarization of Ω, $\langle{P_{Ω}}\rangle$=1.11±0.87(stat)±1.97(syst)% was obtained by measuring the polarization of daughter Λ in the decay Ω→Λ+K, assuming the polarization transfer factor $C_{ΩΛ}=1$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Modeling and Analysis of Polarization Losses in Solid Oxide Fuel Cells with Siloxane Contamination

In this study, the degradation of the solid-oxide fuel cell (SOFC) nickel-yttria stabilized zirconia anode under decamethyltetrasiloxane (L4) contamination is examined with experiments and modeling. A model is developed for the polarization losses based on the charge transfer coefficient,α, and diffusion layer thickness,δ, and fitted to the experimental data to understand how the siloxane degrades the SOFC performance with time. The results of the model indicate that the total polarization losses increase approximately 44% over the course of the 180 min experiment at 350 mA cm −2 . Activation losses dominate the polarization losses initially but decrease in their total contribution while concentration losses increase. Scanning electron microscopy (SEM) with wavelength dispersive X-ray spectroscopy (WDS) elemental mapping indicates that silicon deposition is highest at the outer edge of the anode and forms a barrier layer to fuel diffusion, increasing concentration losses. When the model is applied to other previous D4 and L4 siloxane experiments conducted over a period of 40 h, similar trends in polarization losses are observed. Polarization losses increase more rapidly with D4 compared to L4 siloxane contamination, with concentration losses increasing the fastest with both types of siloxane.

Electrochemistry↗
DOE OSTI2021

Complete polarization of electronic spins in OLEDs

At low temperatures and high magnetic fields, electron and hole spins in an organic light-emitting diode become polarized so that recombination preferentially forms molecular triplet excited-state species. For low device currents, magnetoelectroluminescence perfectly follows Boltzmann activation, implying a virtually complete polarization outcome. As the current increases, the magnetoelectroluminescence effect is reduced because spin polarization is suppressed by the reduction in carrier residence time within the device. Under these conditions, an additional field-dependent process affecting the spin-dependent recombination emerges, possibly related to the build-up of triplet excitons and their interaction with free charge carriers. Suppression of the EL alone does not prove electronic spin polarization. We therefore probe changes in the spin statistics of recombination directly in a dual singlet-triplet emitting material, which shows a concomitant rise in phosphorescence intensity as fluorescence is suppressed. Finite spin-orbit coupling in these materials gives rise to a microscopic distribution in effective g-factors of electrons and holes, Δg, i.e., a distribution in Larmor frequencies. This Δg effect in the pair, which mixes singlet and triplet, further suppresses singlet-exciton formation at high fields in addition to thermal spin polarization of the individual carriers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Robust Millisecond Coherence Times of Erbium Electron Spins

Erbium doped solids are prime candidates for quantum memories in optical quantum networks given their telecom-compatible photon emission. An electron spin of erbium with millisecond coherence time is desirable for generating remote entanglement between adjacent quantum network nodes. Here, in this study, we report GHz-range electron spin transitions of 167 Er 3+ in yttrium oxide (Y 2 O 3 ) matrix with coherence times that are consistently longer than a millisecond. By polarizing para magnetic impurity spins we achieve a spin T 2 up to 1.46 ms, and up to 7.1 ms after dynamical decoupling. These coherence lifetimes are among the longest found for erbium in crystalline matrices despite the presence of host nuclear spins. We further enhance the coherence time beyond conventional dynamical decoupling, using customized sequences to simultaneously mitigate spectral diffusion and dipolar interactions. Our study not only establishes 167 Er 3+ : Y 2 O 3 as a significant quantum memory platform but also provides a guideline for engineering long-lived erbium spins in a variety of host materials for quantum technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Observation of time-reversal symmetry breaking in the band structure of altermagnetic RuO 2

Altermagnets are an emerging elementary class of collinear magnets. Unlike ferromagnets, their distinct crystal symmetries inhibit magnetization while, unlike antiferromagnets, they promote strong spin polarization in the band structure. The corresponding unconventional mechanism of time-reversal symmetry breaking without magnetization in the electronic spectra has been regarded as a primary signature of altermagnetism but has not been experimentally visualized to date. We directly observe strong time-reversal symmetry breaking in the band structure of altermagnetic RuO 2 by detecting magnetic circular dichroism in angle-resolved photoemission spectra. Our experimental results, supported by ab initio calculations, establish the microscopic electronic structure basis for a family of interesting phenomena and functionalities in fields ranging from topological matter to spintronics, which are based on the unconventional time-reversal symmetry breaking in altermagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine Learning-Guided Optimization of SABRE Hyperpolarization for α-Ketoglutarate in Acetone–Water

Signal amplification by reversible exchange (SABRE) is a hyperpolarization method that polarizes target nuclei of metabolites quickly and efficiently. Recent SABRE advances, including Ace-SABRE, yield biocompatible, aqueous solutions of hyperpolarized markers for metabolic monitoring. Building on recent advancements, expanding the substrate scope of Ace-SABRE is desirable. However, SABRE polarization is sensitive to many different parameters; therefore, traditional optimization approaches are experimentally time-consuming. In this proof-of-concept application of machine learning (ML), Bayesian optimization (BO) is used for four important input parameters to model the complex SABRE dynamics while saving experimental time. The presented ML model also provides chemical insights that enable predictions of sample compositions for increased polarization levels. In this paper, we transition from an original average free polarization of p = ∼0.90% to a maximum observed free polarization of p = ∼6.6% for 1- 13 C alpha-ketoglutarate (AKG) with 13 C at natural abundance, utilizing both direct outputs as well as chemical insights revealed by the ML model.

Catalysts↗
DOE OSTI2022

Optically controllable magnetism in atomically thin semiconductors

We report evidence that ferromagnetic order in electrostatically doped, monolayer transition metal dichalcogenide (TMD) semiconductors can be stabilized and controlled at zero magnetic field by local optical pumping. We use circular dichroism (CD) in reflectivity from excitonic states as a spatially resolved probe of charge-carrier spin polarization. At electron densities $n_e$ ~ 10 12 cm -2 , a diffraction-limited, circularly polarized optical pump breaks symmetry between oppositely polarized magnetic states and stabilizes long-range magnetic order, with carrier polarization exceeding 80% over an 8 μm by 5 μm extent. In time-resolved measurements with pulsed optical excitation, we observe that magnetic interactions amplify the initial pump-induced spin polarization by more than an order of magnitude. The optical control of magnetism with local optical pumps will unlock advancements in spin and optical technologies and provides a versatile tool in the study of correlated phases in two-dimensional electron gases.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Are 100 Ensemble Members Enough to Capture the Remote Atmospheric Response to +2°C Arctic Sea Ice Loss?

This study presents results from the Polar Amplification Multimodel Intercomparison Project (PAMIP) single-year time-slice experiments that aim to isolate the atmospheric response to Arctic sea ice loss at global warming levels of +2°C. Using two general circulation models (GCMs), the ensemble size is increased up to 300 ensemble members, beyond the recommended 100 members. After partitioning the response in groups of 100 ensemble members, the reproducibility of the results is evaluated, with a focus on the response of the midlatitude jet streams in the North Atlantic and North Pacific. Both atmosphere-only and coupled ocean–atmosphere PAMIP experiments are analyzed. Substantial differences in the midlatitude response are found among the different experiment subsets, suggesting that 100-member ensembles are still significantly influenced by internal variability, which can mislead conclusions. Despite an overall stronger response, the coupled ocean–atmosphere runs exhibit greater spread due to additional ENSO-related internal variability when the ocean is interactive. The lack of consistency in the response is true for anomalies that are statistically significant according to Student’s t and false discovery rate tests. This is problematic for the multimodel assessment of the response, as some of the spread may be attributed to different model sensitivities whereas it is due to internal variability. Here, we propose a method to overcome this consistency issue that allows for more robust conclusions when only 100 ensemble members are used.

58 GEOSCIENCES↗
DOE OSTI2022

Attosecond coherent electron motion in Auger-Meitner decay

In quantum systems, coherent superpositions of electronic states evolve on ultrafast time scales (few femtoseconds to attoseconds; 1 attosecond = 0.001 femtoseconds = 10 -18 seconds), leading to a time-dependent charge density. Here we performed time-resolved measurements using attosecond soft x-ray pulses produced by a free-electron laser, to track the evolution of a coherent core-hole excitation in nitric oxide. Using an additional circularly polarized infrared laser pulse, we created a clock to time-resolve the electron dynamics and demonstrated control of the coherent electron motion by tuning the photon energy of the x-ray pulse. Core-excited states offer a fundamental test bed for studying coherent electron dynamics in highly excited and strongly correlated matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Ultra-low field 13 C MRI of hyperpolarized pyruvate

Medicine is evolving beyond therapy largely predicated on anatomical information and towards incorporating patient-specific molecular biomarkers of disease for more accurate diagnosis and effective treatment. The complementary combination of hyperpolarization by spin-lock induced crossing signal amplification by reversible exchange (SLIC SABRE) and low field magnetic resonance imaging (MRI) can enable accessible metabolic imaging to advance personalized medicine. Hyperpolarized 13 C-enriched pyruvate has demonstrated promise for imaging metabolism in cancer, heart disease and neurodegenerative disorders; however, broader clinical adoption awaits validated clinical indications, and is further constrained by the cost and limited availability of current hyperpolarization technology. Parahydrogen-based polarization techniques, paired with low-cost high-performance MRI at millitesla fields, offer a means of broadening the reach of metabolic imaging. Here we show results demonstrating in situ hyperpolarization of pyruvate at 6.5 mT by SLIC SABRE, followed by immediate readout without field cycling or sample shuttling. We achieve 13 C signal enhancements several million times above thermal equilibrium at 6.5 mT, corresponding to polarization levels of approximately 3%. Leveraging this enhancement, we perform 13 C MRI and acquire NMR spectra with resolution sufficient to distinguish chemical shifts between pyruvate isotopomers. These results show a viable pathway towards accessible metabolic imaging with hyperpolarized 13 C MRI at ultra-low field.

Medical and clinical diagnostics↗
DOE OSTI2025

Polarization Switching on the Open Surfaces of the Wurtzite Ferroelectric Nitrides: Ferroelectric Subsystems and Electrochemical Reactivity

Binary ferroelectric nitrides are promising materials for information technologies and power electronics. However, polarization switching in these materials is highly unusual. From the structural perspective, polarization reversal is associated with the change of the effective polarity at the surfaces and interfaces from N‐to‐M terminated, suggesting strong coupling between ferroelectric and chemical phenomena. Phenomenologically, macroscopic studies demonstrate the presence of complex time dependent phenomena including wake‐up. Here, in this study, the polarization switching using the multidimensional high‐resolution piezoresponse force microscopy (PFM) and spectroscopy is explored, detecting both the evolution of induced ferroelectric domain, electromechanical response, and surface deformation during first‐order reversal curve measurements. The presence of two weakly coupled ferroelectric subsystems are demonstrated and the bias‐induced electrochemical reactivity. The observed behaviors are very similar to the recent studies of other wurtzite system but additionally include electrochemical reactivity, suggesting the universality of these behaviors for the wurtzite binary ferroelectrics. These studies suggest potential of high‐resolution multimodal PFM spectroscopies to resolve complex coupled polarization dynamics in materials. Furthermore, these PFM based studies are fully consistent with the recent electron microscopy observations of the shark‐teeth like ferroelectric domains in nitrides. Hence, it is believed that these studies establish the universal phenomenological picture of polarization switching in binary wurtzite.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Measurement of the Largest-scale CMB E -mode Polarization with CLASS

We present measurements of large-scale cosmic microwave background E-mode polarization from the Cosmology Large Angular Scale Surveyor 90 GHz data. Using 115 det-yr of observations collected through 2024 with a variable-delay polarization modulator, we achieved a polarization sensitivity of 82 μK arcimin, comparable to Planck at similar frequencies (100 and 143 GHz ). The analysis demonstrates effective mitigation of systematic errors and addresses challenges to large-angular-scale power recovery posed by time-domain filtering in maximum-likelihood map-making. A novel implementation of the pixel-space transfer matrix is introduced, which enables efficient filtering simulations and bias correction in the power spectrum using the quadratic cross-spectrum estimator. Overall, we achieved an unbiased time-domain filtering correction to recover the largest angular scale polarization, with the only power deficit, arising from map-making nonlinearity, being characterized as <3%. Through cross-correlation with Planck, we detected the cosmic reionization at 99.4% significance and measured the reionization optical depth τ = $0.053^{+0.018}_{-0.019}$, marking the first ground-based attempt at such a measurement. At intermediate angular scales (ℓ > 30), our results, both independently and in cross-correlation with Planck, remain fully consistent with Planck’s measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Mini-Micropulse Lidar data from TAMU TRACER campaign in the Houston TX region from July to September 2022

During TRACER, the Texas A&M Rapid Onsite Atmospheric Measurements Van (ROAM-V) was deployed to capture airmasses behind (maritime) and ahead (continental) of the passage of the sea-breeze front through Houston. On select sampling days, ROAM-V sampled in the morning/mid-day on the coast and then transited to a second inland site for the afternoon/evening. The suite of instruments deployed on ROAM-V included a Condensation Particle Counter (CPC; GRIMM Model 5.403 CPC), Scanning Mobility Particle Sizer (SMPS; TSI 3750 detector, TSI 3082 classifier, TSI 3088 neutralizer, TSI 3081A Differential Mobility Analyzer), Cloud Condensation Nuclei counter (Droplet Measurement Technologies CCN Counter), micro pulse lidar (Droplet Measurement Technologies Micro Pulse LiDAR (mini-MPL)), and a Davis Rotating Uniform size-cut Monitor (DRUM; DRUMAir 4-DRUM). Before sampling at each location, the latitude and longitude were recorded using the GPS on the phone application “My Altitude”. The mini-MPL deployed with ROAM-V is a 532 nm elastic and polarization lidar. The mini-MPL outputs normalized relative backscatter (NRB) derived from raw signal after after-pulse, overlap, and dead-time correction calibration. The depolarization ratio is calculated from the co-polarized and cross-polarized NRB (Flynna et al., 2007). The NRB and depolarization ratio data are resampled from the original data at 1-minute intervals. The vertical resolution of the mini-MPL data is 15 meters. The mini-MPL data can be used to determine the boundary layer, cloud top, and cloud bottom height and can be used to retrieve aerosol type and concentration profile. This data was collected for ARM Field Campaign AFC07055 and supported by DOE ASR grant DE-SC0021047. For any further questions, please feel free to contact the instrument PI, Sarah D. Brooks, sbrooks@tamu.edu . Flynna, C. J., Mendozaa, A., Zhengb, Y., & Mathurb, S. (2007). Novel polarization-sensitive micropulse lidar measurement technique. Optics express, 15(6), 2785-2790.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Systematic error analysis in the absolute hydrogen gas jet polarimeter at RHIC

The Polarized Atomic Hydrogen Gas Jet Target polarimeter (HJET) is operated at the Relativistic Heavy Ion Collider (RHIC) since 2004 to measure the absolute polarization of each colliding proton beam. Polarimeter detectors and data acquisition were upgraded in 2015 to increase the solid angle, energy range, and to improve the energy and time resolution. These upgrades along with an improved beam intensity and polarization allowed us to greatly reduce the statistical and systematic errors for the proton polarization measurements in RHIC Runs 15 (E beam = 100 GeV) and 17 (255 GeV). For a typical 8 hour RHIC store, the measured proton beam average polarization was about P beam ~ 55 ± 2.0 stat ± 0.3 syst %. The elastic pp analyzing power, AN(t)~0.04, was determined with a precision of about |δA N (t)|~0.0002 in the momentum transfer squared range 0.001<-t<0.020 GeV 2 . In this paper we present a detailed systematic error analysis of the polarization measurements at HJET. Perspectives of using the HJET based absolute polarimeters in the future Electron Ion Collider (EIC) will be also discussed.

43 PARTICLE ACCELERATORS↗