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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Leaf-level physiological strategies related to productivity and plasticity of Populus in the Southeastern United States

Introduction: Populus and its hybrids are attractive bioenergy crops and the southeastern United States has broad ability to supply bioenergy markets with woody biomass. Breeding and hybridization have led to superior eastern cottonwood (Populus deltoides W. Bartram ex Marshall) and hybrid poplars adapted to a wide variety of site types not suited for agricultural production. In order to maximize productivity and minimize inputs, genotypes need to efficiently use available site resources and tolerate environmental stresses. In addition, we need to determine plasticity of traits and their coordination across sites to select traits that will broadly characterize genotypes. Therefore, our study objectives were to determine (1) which leaf traits were correlated with growth, (2) if traits and genotypes exhibited significant plasticity across sites, and (3) how traits were coordinated within and across sites and Populus taxa. Methods: We measured trees at two sites in northeastern Mississippi, United States: one upland and one alluvial terrace site. Genotypes included eastern cottonwoods as well as F 1 crosses of eastern cottonwood and P. maximowiczii (Henry), P. nigra (L.) and P. trichocarpa (Torr. & Gray). Results: We found that sites differed in which leaf traits were correlated with productivity; with water use efficiency specifically being positively correlated with growth at an alluvial terrace site, but negatively correlated with growth at an upland site. Tree height growth, leaf isotope composition (δ 13 C and δ 15 N), as well as leaf mass per area (LMA) exhibited the least plasticity across sites, while physiological gas exchange parameters and leaf nitrogen concentration exhibited the highest plasticity. Broadly across taxa, leaf carbon isotope ratios were correlated with intrinsic water use efficiency, and stomatal conductance was positively correlated with photosynthetic nitrogen use efficiency across sites, while leaf nitrogen isotope ratios exhibited contrasting relationships with leaf nitrogen concentration. Discussion: Overall, these results allow us to refine selections of productive genotypes based on site conditions and site-specific relationships with physiological parameters to better match Populus taxa with sites and landowner objectives.

bioenergy feedstocks↗
DOE OSTI2025

Optimizing CO 2 -Loaded Aqueous Amine Solutions for Higher Electrocatalytic CO 2 Reduction Activity

The activity of aqueous-based carbon dioxide reduction (CO 2 R) reactions is often limited by the solubility of CO 2 . The addition of amines can increase the total dissolved carbon in water through the formation of bicarbonate and carbamate species, which has been used to a great effect to capture CO 2 from dilute streams. Here, in this study, we explore the effect of 12 primary and secondary amines of varying Brønsted basicity, steric profile, and hydrogen-bonding capabilities on the aqueous CO 2 R to CO activity of a molecular Ni(cyclam)Cl 2 catalyst with a Hg electrode. Addition of some of the amines results in greater activity and selectivity for CO production compared to equivalent aqueous solutions without added amines. Under optimal conditions (0.4 M 3-amino-propionitrile), there is an over sevenfold increase in partial current density and greater selectivity for CO compared to equivalent conditions with no amine. Interestingly, the increase in activity did not correlate to any single property across the 12 amines. To elucidate the effect of the amine additives on catalysis, we used vapor–liquid equilibrium modeling (VLE), 13 C NMR spectroscopy, and computational analysis to determine the carbon speciation of the solutions. These results indicate that for amines without ethylalcohol functionalities, CO 2 R activity correlates with carbamate concentration, which is in turn governed by amine basicity and steric effects. However, this correlation does not persist for amines with ethylalcohol functionalities, which can form more stable carbamates through intramolecular-hydrogen bonding. These studies demonstrate that amine additives can enhance aqueous CO 2 R activity and selectivity and describe amine properties that lead to these higher performance metrics.

Amines↗
DOE OSTI2018

Metallurgical aspects influencing the resistance to steam oxidation and fracture toughness of select advanced replacement alloys for LWR core internals

Life extension of the existing nuclear reactors imposes accumulated damages, such as higher fluences and longer period of corrosion, to structural materials, which would result in significant challenges to the traditional reactor materials such as type 304 and 316 stainless steels. Advanced alloys with superior radiation resistance will increase safety margins, design flexibility, and economics for not only the life extension of the existing fleet but also new builds with advanced reactor designs. The Electric Power Research Institute (EPRI) teamed up with Department of Energy (DOE) to initiate the Advanced Radiation Resistant Materials (ARRM) program, aiming to develop and test degradation resistant alloys from current commercial alloy specifications by 2021 to a new advanced alloy with superior degradation resistance in light water reactor (LWR)-relevant environments by 2024. Corrosion resistance in water environment is one of the fundamental properties required for LWR core internal materials. High-temperature steam oxidation tests are not only an accelerated life testing method to uncover potential failure modes in a short period of time, but also an approach to evaluate materials’ resistance to accidental scenarios. Coupons, prepared from fourteen candidate alloys that were selected under the ARRM program, were exposed to 1 bar full steam with ~10 part-per-billion oxygen content at 600 and 650°C for up to 5,000 h, which were weighed at 500-h intervals. Ni-base superalloys are an important class of alloys for reactor applications. Alloys 690, 725, and X- 750 were three of the selected Ni-base superalloys exposed to the steam tests. This report summarizes the metallurgical aspects, such as alloy thermodynamics and the nature of the oxides and the diffusivities of primary elements, and their effects on oxidation behavior of the three alloys. In addition to monitoring mass change, microstructures of the 5000h-exposed samples of alloys 690, 725, and X-750 were characterized using scanning and transmission electron microscopy and energy dispersive x-ray spectroscopy. Together with thermodynamic calculations, the scale constitution and its exfoliation behavior were discussed. Based on experimental and theoretical values, a new model was proposed to quantitatively estimate the metal thickness loss of the alloys. Alloy X-750 was found to have the best resistance to steam oxidation with the least metal thickness loss (<1 μm), which were slightly superior to alloy 690. Alloy 725 exhibited the worst resistance to steam oxidation with the greatest metal thickness loss, e.g., ~2.5 μm at 650°C, which is nearly three times of the metal thickness losses of alloys 690 and X-750 at 650°C. The greatest metal thickness loss of alloy 725 might be attributable to its high Mo content. Photos of the fracture toughness tested samples of eight alloys are presented, which will be correlated with their fracture toughness results and planned tensile test results to select representative alloy samples for detailed microstructural characterization to reveal their microstructure and properties relationships.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Host Dark Matter Halos of SDSS Red and Blue Quasars: No Significant Difference in Large-scale Environment

The observed optical colors of quasars are generally interpreted in one of two frameworks: unified models that attribute the color to the random orientation of the accretion disk along the line of sight, and evolutionary models that invoke connections between quasar systems and their environments. We test these schemas by probing the dark matter halo environments of optically selected quasars as a function of g – i optical color by measuring the two-point correlation functions of ~0.34 million eBOSS quasars as well as the gravitational deflection of cosmic microwave background photons around ~0.66 million XDQSO photometric quasar candidates. We do not detect a trend of halo bias with optical color through either analysis, finding that optically selected quasars at 0.8 < z < 2.2 occupy halos of characteristic mass M h ~ 3 × 10 12 h –1 M ⊙ regardless of their color. This result implies that a quasar's large-scale halo environment is not strongly connected to its observed optical color. We also confirm the findings of fundamental differences in the radio properties of red and blue quasars by stacking 1.4 GHz FIRST images at their positions, suggesting the observed differences cannot be attributed to orientation. Instead, the differences between red and blue quasars likely arise on nuclear-galactic scales, perhaps owing to reddening by a nuclear dusty wind. Finally, we show that optically selected quasars' halo environments are also independent of their r – W2 optical–infrared colors, while previous work has suggested that mid-infrared-selected obscured quasars occupy more massive halos. We discuss the implications of this result for models of quasar and galaxy coevolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Predicting the potentials, solubilities and stabilities of metal-acetylacetonates for non-aqueous redox flow batteries using density functional theory calculations

New active materials are needed to improve the performance and reduce the cost of non-aqueous redox flow batteries (RFBs) for grid-scale energy storage applications. Efforts to develop better performing materials, which have largely been empirical, would benefit from a better understanding of relationships between structural, electronic and RFB-relevant functional properties. This paper focuses on metal-acetylacetonates, a class of metal coordination complexes that has shown promise for use in RFBs, and describes correlations between their experimentally measured standard potentials, solubilities, and stabilities (cycle lifes), and selected chemical, structural and electronic properties determined from Density Functional Theory (DFT) calculations. The training set consisted of 16 complexes including 5 different metals and 11 different substituents on the acetylacetonate ligand. Standard potentials for those compounds were calculated and are in good agreement with experimentally measured results. A predictive equation based on the solvation energies and dipole moments, two easily computed properties, reasonably modeled the experimentally determined solubilities. Importantly, we were able to identify a descriptor for the stability of acetylacetonates. The experimentally determined stability, quantified as the cycle life to a given degree of degradation, correlated with the percentage of the highest occupied (HOMO) or lowest unoccupied molecular orbital (LUMO) on the metal of the complex. This percentage is influenced by the degree of ligand innocence (irreducibility), and complexes with the most innocent ligands yielded the most stable redox reactions. To this end, VO(acetylacetonate)(2) and Fe(acetylacetonate)(3), with nearly 80% of the HOMO and LUMO on the metal, possessed the most stable oxidation and reduction half-reactions, respectively. The structure-function relationships and correlations presented in this paper could be used to predict new, highly soluble and stable complexes for RFB applications.

Kucharyson, J. F.↗
NASA NTRS1987

Radio continuum, far infrared and star formation

A very tight correlation was found between the radio emission and the far infrared emission from galaxies. This has been found for various samples of galaxies and is explained in terms of recent star formation. The tight correlation would imply that the total radio emission is a good tracer of star formation. The correlation between the radio power at 5 GHz and the far infrared luminosity is shown. The galaxies are of various morphological types and were selected from the various IRAS circulars, hence the sample is an infrared selected sample. The far infrared luminosities were corrected for the dust temperature. This is significant because it decreases the dispersion in the correlation.

Wielebinski, R.↗
DOE OSTI2019

Orbital differentiation in Hund metals

Orbital differentiation is a common theme in multiorbital systems, yet a complete understanding of it is still missing. Here, we consider a minimal model for orbital differentiation in Hund metals with a highly accurate method: We use the numerical renormalization group as a real-frequency impurity solver for a dynamical mean-field study of three-orbital Hubbard models, where a crystal field shifts one orbital in energy. The individual phases are characterized with dynamic correlation functions and their relation to diverse Kondo temperatures. Upon approaching the orbital-selective Mott transition, we find a strongly suppressed spin coherence scale and uncover the emergence of a singular Fermi liquid and interband doublon-holon excitations. Our theory describes the diverse polarization-driven phenomena in the $t$ 2 g bands of materials such as ruthenates and iron-based superconductors, and our methodological advances pave the way toward real-frequency analyses of strongly correlated materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Verification of the Uniformly-Ordered Binary Decision Algorithm in Correlated-Benchmark Whisper Calculations

Whisper is a nuclear criticality safety code package that aids analysts in validation exercises by computing upper subcritical limits (USL) for applications of interest. To obtain statistically meaningful, significant, and conservative USLs, the analyst must ensure that Whisper selects a sufficient number of benchmarks that are neutronically similar to the application. Many of the available benchmarks are correlated but are currently treated as independent, leading to an artificially small sample size, as their individual information contributions will be overestimated. To aid the analyst in obtaining a sufficient sample size, prior work [2] demonstrated application of the Uniformly-Ordered Binary Decision (UOBD) algorithm in adjusting benchmark weights to account for benchmark correlations. This work provides verification of the Whisper implementation and considers the impact of updated benchmark correlations compared to those available previously. We demonstrate that the UOBD algorithm performs as expected with an analytic example. With HEU-SOL-THERM-001 cases 1 through 10 as the applications, we compare the USLs computed with benchmark correlations available in the Whisper 1.1 release only to those computed with additional benchmark correlations from DICE 2023 and demonstrate substantive differences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Joint analysis of Dark Energy Survey Year 3 data and CMB lensing from SPT and P l a n c k . II. Cross-correlation measurements and cosmological constraints

Cross-correlations of galaxy positions and galaxy shears with maps of gravitational lensing of the cosmic microwave background (CMB) are sensitive to the distribution of large-scale structure in the Universe. Such cross-correlations are also expected to be immune to some of the systematic effects that complicate correlation measurements internal to galaxy surveys. We present measurements and modeling of the cross-correlations between galaxy positions and galaxy lensing measured in the first three years of data from the Dark Energy Survey with CMB lensing maps derived from a combination of data from the 2500 deg 2 SPT-SZ survey conducted with the South Pole Telescope and full-sky data from the Planck satellite. The CMB lensing maps used in this analysis have been constructed in a way that minimizes biases from the thermal Sunyaev Zel’dovich effect, making them well suited for cross-correlation studies. The total signal-to-noise of the cross-correlation measurements is 23.9 (25.7) when using a choice of angular scales optimized for a linear (nonlinear) galaxy bias model. Here we use the cross-correlation measurements to obtain constraints on cosmological parameters. For our fiducial galaxy sample, which consist of four bins of magnitude-selected galaxies, we find constraints of Ω m =0.272$^{+0.032}_{-0.052}$ and S 8 ≡σ8$\sqrt{Ω_m/0.3}$=0.736$^{+0.032}_{-0.028}$ (Ω m =0.245$^{+0.026}_{-0.044}$ and S 8 =0.734$^{+0.035}_{-0.028}$) when assuming linear (nonlinear) galaxy bias in our modeling. Considering only the cross-correlation of galaxy shear with CMB lensing, we find Ω m =0.270$^{+0.043}_{-0.061}$ and S 8 =0.740$^{+0.034}_{-0.029}$. Our constraints on S8 are consistent with recent cosmic shear measurements, but lower than the values preferred by primary CMB measurements from Planck.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

State-Selective Double Photoionization of Atomic Carbon and Neon

Double photoionization (DPI) allows for a sensitive and direct probe of electron correlation, which governs the structure of all matter. For atoms, much of the work in theory and experiment that informs our fullest understanding of this process has been conducted on helium, and efforts continue to explore many-electron targets with the same level of detail to understand the angular distributions of the ejected electrons in full dimensionality. Expanding on previous results, we consider here the double photoionization of two 2p valence electrons of atomic carbon and neon and explore the possible continuum states that are connected by dipole selection rules to the coupling of the outgoing electrons in 3P, 1D, and 1S initial states of the target atoms. Carbon and neon share these possible symmetries for the coupling of their valence electrons. Results are presented for the energy-sharing single differential cross section (SDCS) and triple differential cross section (TDCS), further elucidating the impact of the initial state symmetry in determining the angular distributions that are impacted by the correlation that drives the DPI process.

Yip, Frank L. (ORCID:000000025409495X)↗
DOE OSTI2024

Minimization of Measurement Uncertainty in Optical Frequency Domain Reflectometry

Optical frequency domain reflectometry (OFDR) is a technique for interrogating optical fiber sensors to generate relative, quasi-distributed measurements. Although Optical frequency domain reflectometry (OFDR) is increasingly being adopted for aerospace, energy production, and structural monitoring applications, the quantification of uncertainty for OFDR measurements has not been developed beyond sparse empirical relationships. To address this knowledge gap, an uncertainty metric for OFDR measurements was developed. This uncertainty metric was applied to weight the edges between OFDR measurements on directed correlation graphs and analyzed to minimize the cumulative uncertainty. In conclusion, this work is the first to propose an uncertainty metric for OFDR and provides a generalized mathematical framework for optimizing OFDR hardware selection, optical fiber sensor selection, and postprocessing strategy.

42 ENGINEERING↗
DOE OSTI2021

Improved natural convection heat transfer correlations for reactor cavity cooling systems of high-temperature gas-cooled reactors: From computational fluid dynamics to Pronghorn

The Reactor Cavity Cooling System (RCCS) is a common reactor safety system in High Temperature Gas Cooled Reactors (HTGR) that removes heat from the Reactor Pressure Vessel (RPV) by radiation ($\sim 80\%$) and natural convection ($\sim 20\%$). For simulation of accident scenarios of HTGRs, intermediate fidelity and system codes models must be employed for limiting the models' execution time. While accurate quantification of the radiative heat transfer is available in these models, quantification of natural convection must rely on correlations of questionable accuracy for the Nusselt number. Commonly used correlations are based in experiments performed at low Rayleigh numbers and/or using isothermal walls in simplified geometries. Here, this work improves on the accuracy of natural convection heat transfer correlations in support for HTGR designs. These correlations include both local and average Nusselt numbers as a function of the global Rayleigh number, the local Rayleigh number, and the temperature profile at the hot wall of the RCCS. In the absence of dedicated experiments and the difficulty of performing high-fidelity simulations at realistic Rayleigh numbers, the data to fit the correlations are generated with Computational Fluid Dynamics (CFD) using Reynolds Averaged Navier-Stokes (RANS) models. First, a careful selection of the RANS turbulence model is performed by comparing the results obtained with different RANS turbulence models against high fidelity simulations of natural convection at $Ra \ 1 \times 10^{11}$ in a rectangular cavity. Next, the selected model is used to perform simulations of an HTGR cavity at different high Rayleigh numbers $\in [6.1 \times 10^{11},2.9 \times 10^{13}]$ to encompass several HTGR designs, assuming an isothermal RPV wall. The results obtained are used to fit a correlation for the average and space-varying Nusselt number as a function of the global and local Rayleigh numbers via a sparsity-promoting least-squares method. The selected RANS model is then used to perform simulations of a PBMR 400 HTGR cavity with the temperature profiles at the RPV wall obtained during a PLOFC transient. We use the results obtained to fit a temperature-dependent correction to the space-varying Nusselt number with the sparsity-promoting least-squares method. The results obtained in this work, enable system-level codes, such as Pronghorn, to perform higher-fidelity simulations of the heat exchange process in the RCCS while still maintaining a low computational cost.

42 ENGINEERING↗
DOE OSTI2017

Practical Weak-lensing Shear Measurement with Metacalibration

Metacalibration is a recently introduced method to accurately measure weak gravitational lensing shear using only the available imaging data, without need for prior information about galaxy properties or calibration from simulations. The method involves distorting the image with a small known shear, and calculating the response of a shear estimator to that applied shear. The method was shown to be accurate in moderate-sized simulations with galaxy images that had relatively high signal-to-noise ratios, and without significant selection effects. In this work we introduce a formalism to correct for both shear response and selection biases. We also observe that for images with relatively low signal-to-noise ratios, the correlated noise that arises during the metacalibration process results in significant bias, for which we develop a simple empirical correction. To test this formalism, we created large image simulations based on both parametric models and real galaxy images, including tests with realistic point-spread functions. We varied the point-spread function ellipticity at the five-percent level. In each simulation we applied a small few-percent shear to the galaxy images. We introduced additional challenges that arise in real data, such as detection thresholds, stellar contamination, and missing data. We applied cuts on the measured galaxy properties to induce significant selection effects. Using our formalism, we recovered the input shear with an accuracy better than a part in a thousand in all cases.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

Effects of selected trajectory parameters on weight trends in the shuttle thermal protection system

An empirical heating model, thermal protection system unit weight correlation, and trajectory analysis were used to develop a computation procedure for studying the sensitivity of thermal protection system weights to variations in pertinent trajectory parameters. The analytical techniques used in developing this computer program are described. Application of the analysis to a Space Shuttle Orbiter configuration was performed to demonstrate gross thermal protection system weight trends with selected entry trajectory parameters.

Curry, D. M.↗
NASA NTRS1973

Investigation using data from ERTS-1 to develop and implement utilization of living marine resources

The author has identified the following significant results. This 15-month ERTS-1 investigation produced correlations between satellite, aircraft, menhaden fisheries, and environmental sea truth data from the Mississippi Sound. Selected oceanographic, meteorological, and biological parameters were used as indirect indicators of the menhaden resource. Synoptic and near real time sea truth, fishery, satellite imagery, aircraft acquired multispectral, photo and thermal IR information were acquired as data inputs. Computer programs were developed to manipulate these data according to user requirements. Preliminary results indicate a correlation between backscattered light with chlorophyll concentration and water transparency in turbid waters. Eight empirical menhaden distribution models were constructed from combinations of four fisheries-significant oceanographic parameters: water depth, transparency, color, and surface salinity. The models demonstrated their potential for management utilization in areas of resource assessment, prediction, and monitoring.

Stevenson, W. H.↗
NASA NTRS1978

Custom large scale integrated circuits for spaceborne SAR processors

The application of modern LSI technology to the development of a time-domain azimuth correlator for SAR processing is discussed. General design requirements for azimuth correlators for missions such as SEASAT-A, Venus orbital imaging radar (VOIR), and shuttle imaging radar (SIR) are summarized. Several azimuth correlator architectures that are suitable for implementation using custom LSI devices are described. Technical factors pertaining to selection of appropriate LSI technologies are discussed, and the maturity of alternative technologies for spacecraft applications are reported in the context of expected space mission launch dates. The preliminary design of a custom LSI time-domain azimuth correlator device (ACD) being developed for use in future SAR processors is detailed.

Tyree, V. C.↗
NASA NTRS2008

Development of COPVS for High pressure, In-Space, Cryogenic Fuel Storage

Polymeric composite overwrapped pressure vessels (COPVs) provide an attractive material system to support developing commercial launch business and alternate fuel ventures. However to be able to design with these materials, the mechanical behavior of the materials must be understood with regards to processing, performance, damage tolerance, and environment. For the storage of cryogenic propellants, it is important to evaluate the materials performance and impact damage resistance at cryogenic temperatures in order to minimize weight and to ensure safety and reliability. To evaluate the ultimate performance, various polymeric COPV's have been statically burst tested at cryogenic conditions before and after exposure to irradiation. Materials selected for these COPVs were based on the measured mechanical properties of candidate resin systems and fibers that were also tested at cryogenic conditions before and after exposure to irradiation. The correlation of COPV burst pressures with the constituent material properties has proven to be a valuable screening method for selection of suitable candidate materials with resistance to material degradation due to exposure to temperature and radiation.

DeLay, Tom↗
DOE OSTI2019

Nanoscale Chemical Reaction Imaging at the Solid-Liquid Interface via TERS

Plasmon-enhanced chemical transformations at the solid-liquid interface can be imaged with high sensitivity, chemical selectivity, and nanoscale precision through tip-enhanced Raman scattering (TERS). We demonstrate the latter for the first time through measurements aimed at (i) locating plasmonic hotspots at the solid-liquid interface at which chemical transformations take place, (ii) monitoring the evolution from reactants to products through their distinct Raman spectra, and (iii) 2D correlation analysis of Raman time trajectories to unambiguously extract the spectral components that mark chemical transformation and to understand the correlations between the product and parent signatures. For our proof-of-principle study, we select a model plasmon-enhanced chemical process, namely, the dimerization of p-nitrothiophenol to dimercaptoazobenzene, but now, at the solid-liquid interface. Our plasmonic construct otherwise consists of chemically functionalized gold microplates in aqueous solution, which we image using a gold-coated TERS probe irradiated at 633-nm. Overall, we demonstrate chemical reaction imaging in aqueous solution via TERS for the first time, herein, at a pixel-limited lateral spatial resolution of 10 nm.

Bhattarai, Ashish↗