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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electron Beam Infrared Nano-Ellipsometry of Individual Indium Tin Oxide Nanocrystals

Leveraging recent advances in electron energy monochromation and aberration correction, we record the spatially resolved infrared plasmon spectrum of individual tin-doped indium oxide nanocrystals using electron energy-loss spectroscopy (EELS). Both surface and bulk plasmon responses are measured as a function of tin doping concentration from 1–10 atomic percent. Furthermore, these results are compared to theoretical models, which elucidate the spectral detuning of the same surface plasmon resonance feature when measured from aloof and penetrating probe geometries. We additionally demonstrate a unique approach to retrieving the fundamental dielectric parameters of individual semiconductor nanocrystals via EELS. This method, devoid from ensemble averaging, illustrates the potential for electron-beam ellipsometry measurements on materials that cannot be prepared in bulk form or as thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Thermodynamics of free and bound magnons in graphene

Symmetry-broken electronic phases support neutral collective excitations. For example, monolayer graphene in the quantum Hall regime hosts a nearly ideal ferromagnetic phase at specific filling factors that spontaneously breaks the spin-rotation symmetry. This ferromagnet has been shown to support spin-wave excitations known as magnons that can be electrically generated and detected. Although long-distance magnon propagation has been demonstrated via transport measurements, important thermodynamic properties of such magnon populations—including the magnon chemical potential and density—have not been measured. Here we present local measurements of electron compressibility under the influence of magnons, which reveal a reduction in the gap associated with the ν = 1 quantum Hall state by up to 20%. Combining these measurements with the estimates of temperature, our analysis reveals that the injected magnons bind to electrons and holes to form skyrmions, and it enables the extraction of free magnon density, magnon chemical potential and average skyrmion spin. Our methods provide a means of probing the thermodynamic properties of charge-neutral excitations that are applicable to other symmetry-broken electronic phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Multiply-excited states and their contribution to opacity in CO 2 laser-driven tin-plasma conditions

A recent study (2020 Nat. Commun. 11 2334) has found that transitions between multiply-excited configurations in open 4d-subshell tin ions are the dominant contributors to intense EUV emission from dense, Nd:YAG-driven (laser wavelength λ = 1.064 μm) tin plasmas. In the present study, we employ the Los Alamos Atomic code to investigate the spectral contribution from these transitions under industrially-relevant, CO 2 laser-driven (λ = 10.6 μm) tin plasma conditions. First, we employ Busquet's ionisation temperature method to match the average charge state < Z > of a non-local-thermodynamic equilibrium (non-LTE) plasma with an LTE one. This is done by varying the temperature of the LTE calculations until a so-called ionisation temperature T Z is established. Importantly, this approach generates LTE-computed configuration populations in excellent agreement with the non-LTE populations. A corollary of this observation is that the non-LTE populations are well-described by Boltzmann-type exponential distributions having effective temperatures T eff ≈ T Z . In the second part of this work, we perform extensive level-resolved LTE opacity calculations at T Z . It is found that 66% of the opacity in the industrially-relevant 2% bandwidth centred at 13.5 nm arises from transitions between multiply-excited states. These results reinforce the need for the consideration of complex, multiply-excited states in modelling the radiative properties of laser-driven plasma sources of EUV light.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Assessing the methane mitigation potential of innovative management in US rice production

Abstract Rice is an important global crop while also contributing significant anthropogenic methane (CH 4 ) emissions. To support the future of rice production, more information is needed on the impacts of sustainability-driven management used to grow rice with lower associated methane emissions. Recent support for the impacts of different growing practices in the US has prompted the application of a regional methodology (Tier 2) to estimate methane emissions in different rice growing regions. The methodology estimates rice methane emissions from the US Mid-South (MdS) and California (Cal) using region-specific scaling factors applied to a region-specific baseline flux. In our study, we leverage land cover data and soil clay content to estimate methane emissions using this approach, while also examining how changes in common production practices can affect overall emissions in the US. Our results indicated US rice cultivation produced between 0.32 and 0.45 Tg CH 4 annually, which were approximately 7% and 42% lower on average compared to Food and Agriculture Organization of the UN (FAO) and US Environmental Protection Agency (EPA) inventories, respectively. Our estimates were 63% greater on average compared to similar methods that lack regional context. Introducing aeration events into irrigation resulted in the greatest methane reductions across both regions. When accounting for differences between baseline and reduction scenarios, the US MdS typically had higher mitigation potential compared to Cal. The differences in cumulative mitigation potential across the 2008–2020 period were likely driven by lower production area clay content for the US MdS compared to Cal. The added spatial representation in the Tier 2 approach is useful in surveying how impactful methane-reducing practices might be within and across regions.

Environmental Sciences & Ecology↗
DOE OSTI2020

Non-LTE modelling of cyanoacetylene: evidence for isomer-specific excitation

ABSTRACT Cyanoacetylene molecules are widespread in the interstellar medium (ISM) and several of its isomers have been detected in cold molecular clouds and circumstellar gas. Accurate estimates of the abundance ratio of cyanoacetylene isomers may provide deep insight into their environment. Such knowledge requires rigorous modelling of the emission spectra based on non-local thermodynamic equilibrium (LTE) radiative transfer calculations. To this end, we computed excitation cross-sections of HC2NC and HNC3 induced by collision with para- and ortho-H2, using a quantum mechanical close-coupling method. Then, by thermally averaging these data, we derived rate coefficients for the first 31 low-lying rotational levels of each isomer for temperatures up to 80 K. For the para-H2 collider, the propensity rules are in favour of rotational transitions involving Δj1 = 2 for both isomers, while for the ortho-H2 collider, Δj1 = 2 and Δj1 = 1 rotational transitions are favoured for HC2NC and HNC3, respectively. A comparison of rate coefficients for the HC3N isomers shows differences up to an order of magnitude, especially at low temperatures. Finally, we performed non-LTE radiative transfer calculations to assess the impact of such variations in the analysis of observations. Our simulation suggests that the lack of collisional data specific to each isomer could lead to errors up to a factor of 2–3 in the excitation temperatures. We expect that these data could help in better understanding the cyanoacetylene chemistry and constraining the nitrogen chemistry in the ISM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Direct and indirect spin current generation and spin-orbit torques in ferromagnet/nonmagnet/ferromagnet trilayers

Spin-orbit torques in ferromagnet/nonmagnet/ferromagnet trilayers are studied using a combination of symmetry analysis, circuit theory, semiclassical simulations, and first-principles calculations using the nonequilibrium Green's function method with supercell disorder averaging. Here, we focus on unconventional processes involving the interplay between the two ferromagnetic layers, which are classified into direct and indirect mechanisms. The direct mechanism involves spin current generation by one ferromagnetic layer and its subsequent absorption by the other. In the indirect mechanism, the in-plane spin-polarized current from one ferromagnetic layer “leaks” into the other layer, where it is converted into an out-of-plane spin current and reabsorbed by the original layer. The direct mechanism results in a predominantly dampinglike torque, which damps the magnetization towards a certain direction 𝐬 𝑑 . The indirect mechanism results in a predominantly fieldlike torque with respect to a generally different direction 𝐬 𝑓 . Similarly to the current-in-plane giant magnetoresistance, the indirect mechanism is only active if the thickness of the nonmagnetic spacer is smaller than or comparable to the mean free path. Numerical calculations for a semiclassical model based on the Boltzmann equation confirm the presence of both direct and indirect mechanisms of spin current generation. First-principles calculations reveal sizable unconventional spin-orbit torques in Co/Cu/Co, Py/Cu/Py, and Co/Pt/Co trilayers and provide strong evidence of indirect spin current generation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Nontrivial critical behavior at magnetic transitions: A case study of Sm 7 ⁢Pd 3

We present a comprehensive analysis of the critical behavior of Sm 7 ⁢Pd 3 in the vicinity of its second-order magnetoelastic transition at 𝑇 c =173 K. The critical exponents (CEs) 𝛽 and 𝛾, determined using both the standard convergence procedure and the average normalized slope (ANS) method, diverge at 𝑇 c –-a characteristic typically associated with first-order transitions. Notably, none of the established universality classes satisfactorily describe the critical behavior of Sm 7 ⁢Pd 3 , and we discuss the possible origins of this deviation in the context of the strong spin-lattice coupling intrinsic to the sample. We emphasize the importance of accurately selecting the critical temperature and magnetic field ranges to ensure robust critical behavior analysis, and propose a quantitative approach to assess the reliability of the extracted CEs. Additionally, we demonstrate that in the ANS method, the critical exponents 𝛽 and 𝛾 should be calculated separately using data for 𝑇 ⩽ 𝑇 c and 𝑇 ⩾ 𝑇 c , respectively. In conclusion, our findings underscore the need for a revised theoretical framework to accurately describe second-order magnetoelastic transitions.

Ferrimagnets↗
DOE OSTI2022

Automated Shift Detection in Sensor-Based PV Power and Irradiance Time Series: Preprint

PV power and irradiance sensor-based measurements are prone to error, resulting in issues such as abrupt time series data shifts. These shifts, which are usually unintentional, may be caused by software or hardware configuration changes on a PV system, and do not reflect an actual change in overall system performance. Locating these shifts and segmenting the associated time series aids in more accurate future PV analysis. In this research, an offline changepoint detection (CPD) algorithm that automatically detects these abrupt data shifts in sensor-based time series is introduced. Data shift periods in 101 daily PV power and irradiance time series were labeled manually by two solar experts. These data streams represent sensor-based measurements, and display a variety of data shift behaviors. A changepoint detection algorithm was tuned using the 101 labeled data streams, with each model configuration's ability to detect labeled changepoints benchmarked using metrics such as F1-score, recall, and Rand Index. Best performing models on seasonality-corrected data streams include the Pruned Exact Linear (PELT) method, the Binary Segmentation method, and the Bottom-Up method, all scoring an average F1-score of 0.76 or greater at detecting labeled changepoints within a 30-day window for the labeled data sets. To promote further research in this space, we are releasing the labeled data shift sets on U.S. Department of Energy's (DOE) DuraMAT Data Hub, and the associated algorithm in the Python PVAnalytics package.

changepoint detection↗
DOE OSTI2022

Photon Doppler velocimetry surface return study for common surface preparations

Photon Doppler velocimetry (PDV) is a ubiquitous diagnostic method in dynamic compression experiments. It typically requires the roughening of the test surface to ensure scattering of the probe light back into the PDV probe at non-normal angles of incidence. Although surface scattering plays an essential role in the quality of PDV data, surface scattering properties for common materials and preparations have not previously been studied with specific relevance to PDV. Here, we present detailed measurements of the bidirectional reflectance distribution function for four different surface preparations (Scotch-Brite hand and drill roughened, ball-rolled, and grit blasted) and four different materials (copper, aluminum, stainless steel, and tantalum). These measurements employ a conventional PDV probe and obtain a diffraction limited angular resolution with 10 pW accuracy and 2.6% repeatability. In addition to scattering data, we employ scattering theory and simulations to accurately emulate the measured data. We also present a straightforward method to derive the average scattering distribution from surface profilometry and observe several qualitative aspects of the scattering data that may help to optimize PDV signals.

42 ENGINEERING↗
DOE OSTI2022

Multi-frame, ultrafast, x-ray microscope for imaging shockwave dynamics

Inertial confinement fusion (ICF) holds increasing promise as a potential source of abundant, clean energy, but has been impeded by defects such as micro-voids in the ablator layer of the fuel capsules. It is critical to understand how these micro-voids interact with the laser-driven shock waves that compress the fuel pellet. At the Matter in Extreme Conditions (MEC) instrument at the Linac Coherent Light Source (LCLS), we utilized an x-ray pulse train with ns separation, an x-ray microscope, and an ultrafast x-ray imaging (UXI) detector to image shock wave interactions with micro-voids. To minimize the high- and low-frequency variations of the captured images, we incorporated principal component analysis (PCA) and image alignment for flat-field correction. After applying these techniques we generated phase and attenuation maps from a 2D hydrodynamic radiation code (xRAGE), which were used to simulate XPCI images that we qualitatively compare with experimental images, providing a one-to-one comparison for benchmarking material performance. Moreover, we implement a transport-of-intensity (TIE) based method to obtain the average projected mass density (areal density) of our experimental images, yielding insight into how defect-bearing ablator materials alter microstructural feature evolution, material compression, and shock wave propagation on ICF-relevant time scales.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Stochastic equilibrium Raman spectroscopy (STERS)

In this manuscript, we propose a new method for cavity- and surface-enhanced Raman spectroscopy (SERS) with improved temporal resolution in the measurement of stochastic Raman spectral fluctuations. Our approach combines Fourier spectroscopy and photon correlation to decouple the integration time from the temporal resolution. Using statistical optics Monte Carlo simulations, we establish the relationship between time resolution and Raman signal strength, revealing that typical Raman spectral fluctuations, commensurate with molecular conformational dynamics, can theoretically be resolved on micro- to millisecond timescales. The method can further extract average single-molecule dynamics from small sub-ensembles, thereby potentially mitigating challenges in achieving strictly single-molecule isolation on SERS substrates.

Cobb-Bruno, Colburn [University of California, Ber↗
DOE OSTI2023

Uncertainties and Limitations of Experimental Thrust and Pressure Gain Measurements in a Rotating Detonation Combustor

Experimentally measuring the pressure gain through the method of equivalent available pressure is prone to many experimental uncertainties. This study performs a detailed uncertainty analysis of the thrust and pressure gain measurements utilizing data from a H2/air operated rotating detonation combustor with an axial air inlet and a 50% exit constriction. The measured (negative) pressure gain values agree with the results in literature for similar inlet-to-exit area ratios. Specific considerations are given to the uncertainty in thrust measurement introduced by the base drag correction on the inner-body. The assumed unity Mach number utilized in the equivalent available pressure methodology is evaluated experimentally with two different methods using time-averaged measurements at the exhaust plane. A definitive demonstration of gain will be challenging given the assessed uncertainties, but recommendations are given to increase the precision of the equivalent available pressure methodology to estimate pressure gain.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

A Novel Deep Reinforcement Learning Approach to Traffic Signal Control with Connected Vehicles

The advent of connected vehicle (CV) technology offers new possibilities for a revolution in future transportation systems. With the availability of real-time traffic data from CVs, it is possible to more effectively optimize traffic signals to reduce congestion, increase fuel efficiency, and enhance road safety. The success of CV-based signal control depends on an accurate and computationally efficient model that accounts for the stochastic and nonlinear nature of the traffic flow. Without the necessity of prior knowledge of the traffic system’s model architecture, reinforcement learning (RL) is a promising tool to acquire the control policy through observing the transition of the traffic states. In this paper, we propose a novel data-driven traffic signal control method that leverages the latest in deep learning and reinforcement learning techniques. By incorporating a compressed representation of the traffic states, the proposed method overcomes the limitations of the existing methods in defining the action space to include more practical and flexible signal phases. The simulation results demonstrate the convergence and robust performance of the proposed method against several existing benchmark methods in terms of average vehicle speeds, queue length, wait time, and traffic density.

42 ENGINEERING↗
DOE OSTI2025

Assessing the Heat Transfer Modeling Capabilities of CFD Software for Involute-Shaped Plate Research Reactors

The ongoing efforts to convert High-Performance Research Reactors (HPRRs) using Highly Enriched Uranium (HEU) to Low-Enriched Uranium (LEU) fuel require reliable thermal–hydraulic assessments of modified core designs. The involute-shaped fuel plates used in several major HPRRs present unique modeling challenges due to their compact core geometries and high heat flux conditions. This study evaluates the capability of three commercial CFD tools, STAR-CCM+, COMSOL, and ANSYS CFX, to predict cladding-to-coolant heat transfer using Reynolds-Averaged Navier–Stokes (RANS) methods within the thermal–hydraulic regimes of involute-shaped plate reactors. Broad sensitivity analysis was conducted across a range of reactor-relevant parameters using two turbulence models (k−ϵ and k−ω SST) and different near-wall treatment strategies. The results were benchmarked against the Sieder–Tate correlation and experimental data from historic studies. The codes produced consistent results, showing good agreement with the empirical correlation of Sieder–Tate and the experimental measurements. The findings support the use of these commercial CFD codes as effective tools for assessing the thermal–hydraulic performance of involute-shaped plate HPRRs and guide future LEU core development.

CFD↗
DOE OSTI2020

Quantification of Uncoupled Spin Domains in Spin-Abundant Disordered Solids

Materials often contain minor heterogeneous phases that are difficult to characterize yet nonetheless significantly influence important properties. Here we describe a solid-state NMR strategy for quantifying minor heterogenous sample regions containing dilute, essentially uncoupled nuclei in materials where the remaining nuclei experience heteronuclear dipolar couplings. NMR signals from the coupled nuclei are dephased while NMR signals from the uncoupled nuclei can be amplified by one or two orders of magnitude using Carr-Meiboom-Purcell-Gill (CPMG) acquisition. The signal amplification by CPMG can be estimated allowing the concentration of the uncoupled spin regions to be determined even when direct observation of the uncoupled spin NMR signal in a single pulse experiment would require an impractically long duration of signal averaging. We use this method to quantify residual graphitic carbon using 13 C CPMG NMR in poly(carbon monofluoride) samples synthesized by direct fluorination of carbon from various sources. Our detection limit for graphitic carbon in these materials is better than 0.05 mol%. The accuracy of the method is discussed and comparisons to other methods are drawn.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Origin of the ring ellipticity in the black hole images of M87*

We investigate the origin of the elliptical ring structure observed in the images of the supermassive black hole M87*, aiming to disentangle contributions from gravitational, astrophysical, and imaging effects. Leveraging the enhanced capabilities of the Event Horizon Telescope (EHT)'s 2018 array, including improved (u,v)-coverage from the Greenland Telescope, we measured the ring's ellipticity using five independent imaging methods, obtaining a consistent average value of τ = 0.08−0.02+0.03 with a position angle of ξ = 50.1−7.6+6.2 degrees. To interpret this measurement, we compared it to general relativistic magnetohydrodynamic (GRMHD) simulations spanning a wide range of physical parameters including the thermal or nonthermal electron distribution function, spins, and ion-to-electron temperature ratios in both low- and high-density regions. We find no statistically significant correlation between spin and ellipticity in GRMHD images. Instead, we identify a correlation between ellipticity and the fraction of non-ring emission, particularly in nonthermal models and models with higher jet emission. These results indicate that the ellipticity measured from the M87* emission structure is consistent with that expected from simulations of turbulent accretion flows around black holes, where it is dominated by astrophysical effects rather than gravitational ones. Future high-resolution imaging, including space very long baseline interferometry and long-term monitoring, will be essential to isolate gravitational signatures from astrophysical effects.Key words: accretion, accretion disks / black hole physics / gravitation / galaxies: active** These authors have contributed equally to this work.*** NASA Hubble Fellowship Program, Einstein Fellow.† Deceased.

Dahale, Rohan [Granada U., Theor. Phys. Astrophys.↗
NASA NTRS1976

High-latitude truncation errors of box-type primitive equation models

The 'box-type' finite-difference method includes a weighted average of the pressure gradient with weights proportional to the surface of the grid walls. It is shown that this averaging introduces first-order truncation errors near the poles. An example is shown in which the relative error is of zero order and the scheme produces large distortions in the solution at high latitudes.

Kalnay-Rivas, E.↗
NASA NTRS1977

Lunar gravity - A long-term Keplerian rate method

Nearside tracking data from Apollo subsatellites and Lunar Orbiter 5 are used to construct a model of the farside lunar gravity field. An indirect method of calculating the average effect of all the gravity anomalies which affect spacecraft orbits is reduced to a linear estimation problem by eliminating the integration of spacecraft dynamics. Doppler frequency shifts between the lunar satellite and earth-based tracking station are used to measure the line of sight velocity component between the orbiter and the tracker; gravity determination is then performed in a weighted least squares estimator which employs the orbital rates as data and formulates the normal equations using the associated Keplerian state. Simulations performed demonstrate that farside gravity features can be economically determined by use of gravity estimates obtained from long-period models of nearside orbiting tracks.

Ferrari, A. J.↗