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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spectroscopy-based isotopic (δ 13 C) analysis for high spatial resolution of carbon exchange in the rhizosphere

The rhizosphere is a highly dynamic zone bridging plant roots with needed nutrient resources in soil. While the rhizosphere may be small, it has a disproportionally large impact on plant success and biomass production. A suite of rhizosphere-hosted microbial and geochemical interactions facilitate nutrient acquisition by plant roots, and, in turn, the roots stimulate these processes by supplying organic carbon into the rhizosphere. The small physical dimensions of the rhizosphere, however, can constrain efforts to elucidate key carbon exchange processes and their spatial extent and localization. We present a method for spatially resolved δ 13 C analysis of rhizosphere samples by coupling laser ablation (LA) sampling with isotopic analysis using capillary absorption spectroscopy (CAS) which differs from conventional mass spectrometer (MS) approaches. The CAS system has high sensitivity (requires fewer nanomoles of CO 2 per analysis) than comparable MS systems, which enables reduced sample size requirements to thereby improve spatial resolution (from 25 μm to as low as a projected 5 μm spatial resolution). We demonstrate the utility of CAS using rhizosphere samples from switchgrass plants exposed to 13 CO 2 . As a result, this technique will provide a capability for tracking the extent and spatial distribution of root exudate into the rhizosphere at highly detailed spatial scales.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Large-Volume Injection and Assessment of Reference Standards for n -Alkane δD and δ 13 C Analysis via Gas Chromatography Isotope Ratio Mass Spectrometry

Compound-specific stable isotope analysis of hydrogen (δD) and carbon (δ 13 C) in organic compounds is a valuable tool in biogeochemical research. A key limitation of this method is the relatively large amount of sample required to achieve desirable precision. We developed a large-volume (20 μL) injection method that allows for high throughput analysis of less concentrated samples and tested it for δ 13 C and δD measurements of n-alkanes. We also conducted a comparison of reference standards and assessed several methods to normalize and correct n-alkane δD and δ13C measurements. The mean precision of the δD method based on 233 environmental n-alkane samples (two to three replications per sample) is 4.0‰ (1σ, estimated from the weighted mean of the pooled unbiased standard deviations) and 0.46‰ (1σ) for δ 13 C from 37 environmental samples (two to three replications per sample). The evaluation of reference standards shows that the use of n-alkane standards with large offsets in δD values in adjacent n-alkane chains can lead to biases in measurement correction. The large-volume injection method shows good reproducibility of δ 13 C and δD measurements of n-alkanes and reduces the required sample concentration by about 80%. We propose that for δD measurements, a reference standard set should be used in which each reference standard has a limited range of δD values and no adjacent n-alkane chains, to minimize memory effects.

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

Large- N c analysis of two-nucleon neutrinoless double-β decay and charge-independence-breaking contact terms

The interpretation of experiments that search for neutrinoless double- β decay relies on input from nuclear theory. Cirigliano et al. [Phys. Rev. Lett. 120, 202001 (2018)] recently showed that, for the light Majorana exchange formalism, effective field theory calculations require a nn → ppe - e - contact term at leading order. They estimated the size of this contribution by relating it to measured charge-independence-breaking (CIB) nucleon-nucleon interactions and making an assumption about the relative sizes of CIB operators. We show that the assumptions underlying this approximation are justified in the limit of the number of colors, N c , being large. Finally, we also obtain a large-N c hierarchy among CIB nucleon-nucleon interactions that is in agreement with phenomenological results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Position-specific isotope effects during alkaline hydrolysis of 2,4-dinitroanisole resolved by compound-specific isotope analysis, 13 C NMR, and density-functional theory

Compound-specific isotope analysis (CSIA), position-specific isotope analysis (PSIA), and computational modeling (e.g., quantum mechanical models; reactive-transport models) are increasingly being used to monitor and predict biotic and abiotic transformations of organic contaminants in the field. However, identifying the isotope effect(s) associated with a specific transformation remains challenging in many cases. We describe and interpret the position-specific isotope effects of C and N associated with a SN 2 Ar reaction mechanism by a combination of CSIA and PSIA using quantitative 13 C nuclear magnetic resonance spectrometry, and density-functional theory, using 2,4-dinitroanisole (DNAN) as a model compound. The position-specific 13 C enrichment factor of O–C 1 bond at the methoxy group attachment site (ε C1 ) was found to be approximately -41‰, a diagnostic value for transformation of DNAN to its reaction products 2,4-dinitrophenol and methanol. Theoretical kinetic isotope effects calculated for DNAN isotopologues agreed well with the position-specific isotope effects measured by CSIA and PSIA. This combination of measurements and theoretical predictions demonstrates a useful tool for evaluating degradation efficiencies and/or mechanisms of organic contaminants and may promote new and improved applications of isotope analysis in laboratory and field investigations.

13C NMR↗
DOE OSTI2021

OzDES reverberation mapping program: Lag recovery reliability for 6-yr C iv analysis

ABSTRACT We present the statistical methods that have been developed to analyse the OzDES reverberation mapping sample. To perform this statistical analysis we have created a suite of customizable simulations that mimic the characteristics of each source in the OzDES sample. These characteristics include: the variability in the photometric and spectroscopic light curves, the measurement uncertainties, and the observational cadence. By simulating the sources in the OzDES sample that contain the C iv emission line, we developed a set of criteria that rank the reliability of a recovered time-lag depending on the agreement between different recovery methods, the magnitude of the uncertainties, and the rate at which false positives were found in the simulations. These criteria were applied to simulated light curves and these results used to estimate the quality of the resulting Radius–Luminosity relation. We grade the results using three quality levels (gold, silver, and bronze). The input slope of the R–L relation was recovered within 1σ for each of the three quality samples, with the gold standard having the lowest dispersion with a recovered a R–L relation slope of 0.454 ± 0.016 with an input slope of 0.47. Future work will apply these methods to the entire OzDES sample of 771 AGN.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Investigating the Chemolithoautotrophic and Formate Metabolism of Nitrospira moscoviensis by Constraint-Based Metabolic Modeling and 13 C-Tracer Analysis

Nitrospira spp. are globally abundant nitrifying bacteria in soil and aquatic ecosystems and in wastewater treatment plants, where they control the oxidation of nitrite to nitrate. Despite their critical contribution to nitrogen cycling across diverse environments, detailed understanding of their metabolic network and prediction of their function under different environmental conditions remains a major challenge.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Diverse organic carbon dynamics captured by radiocarbon analysis of distinct compound classes in a grassland soil

Soil organic carbon (SOC) is a large, dynamic reservoir composed of a complex mixture of plant- and microbe-derived compounds with a wide distribution of cycling timescales and mechanisms. The distinct residence times of individual carbon components within this reservoir depend on a combination of factors, including compound reactivity, mineral association, and climate conditions. To better constrain SOC dynamics, bulk radiocarbon measurements are commonly used to trace biosphere inputs into soils and to estimate timescales of SOC cycling. However, understanding the mechanisms driving the persistence of organic compounds in bulk soil requires analyses of SOC pools that can be linked to plant sources and microbial transformation processes. Here, we adapt approaches, previously developed for marine sediments, to isolate organic compound classes from soils for radiocarbon ( 14 C) analysis. We apply these methods to a soil profile from an annual grassland in Hopland, California (USA), to assess changes in SOC persistence with depth (down to 1 m). We measured the radiocarbon values of water-extractable organic carbon (WEOC), total lipid extracts (TLEs), total hydrolyzable amino acids (AAs), and an acid-insoluble (AI) fraction from bulk and physically separated size fractions (< 2 mm, 2 mm–63 µm, and < 63 µm). Our results show that Δ 14 C values of bulk soil, size fractions, and extracted compound classes became more depleted with depth, and individual SOC components have distinct age–depth distributions that suggest distinguishable cycling rates. We found that AAs and TLEs cycle faster than the bulk soils and the AI fraction. The AI was the most 14 C-depleted fraction, indicating that it is the most chemically inert in this soil. Our approach enables the isolation and measurement of SOC fractions that separate functionally distinct SOC pools that can cycle relatively quickly (e.g., plant and microbial residues) from more passive or inert SOC pools (associated with minerals or petrogenic) from bulk soils and soil physical fractions. With the effort to move beyond SOC bulk analysis, we find that compound class 14 C analysis can improve our understanding of SOC cycling and disentangle the physical and chemical factors driving OC cycling rates and persistence.

58 GEOSCIENCES↗
DOE OSTI2021

TListSpectrum

TListSpectrum is a C++ class developed inside the CERN high-energy physics analysis C++ framework ROOT. This class structure was developed to assist in the processing, visualization, and analysis of list-mode or time-stamped radiation spectroscopy data. The class structure currently contains parsing and functionality to synthesize list-mode data from CAEN and Mirion Lynx radiation spectroscopy digital acquisition systems along with feature functionality to post-process data sets and build coincident data sets from the instrument.

Pierson, Bruce↗
DOE OSTI2025

Variability in Ice Nucleating Particles Across Greater Houston Texas

The concentration and cloud-forming potential of a region's ice nucleating particle (INP) population have uncertain impacts on deep convective clouds. Specifically, ice nucleating particles (INPs) may affect various cloud properties related to the formation, lifetime, and precipitation of deep convective clouds. As part of the U.S. Department of Energy's TRacking Aerosol and Convection interaction ExpeRiment (TRACER) campaign, researchers from Texas A&M University deployed three Davis Rotating-drum Universal-size-cut Monitoring (DRUM) samplers throughout Greater Houston, Texas from June through September 2022. Ambient particles, collected at the surface with the DRUM samplers in four aerodynamic diameter size ranges (>3, 3–1.2, 1.2–0.34, and 0.34–0.15 μm), were analyzed in offline cold-stage ice nucleation experiments. The INP population in Greater Houston is complex, varying by site and day, but can be generalized by a weak to moderately efficient mode of INPs at −24°C and an efficient mode at −15°C. Analysis reveals that supermicron particles are largely responsible for ice nucleation warmer than −20°C across the region while submicron particles dominate at temperatures colder than −20°C. Additionally, significant spatial diversity in the INP population was observed, with differences in mean nucleation temperature between sites for nearly every size cut. Although INP concentrations were typically ∼0.08 L −1 at −20°C throughout the campaign, a notable region-wide increase in INP concentration for particles freezing at temperatures warmer than −20°C occurred from mid-August to mid-September. This comprehensive characterization of Greater Houston's INP population, including spatial, temporal, and particle size variations, can help constrain ice microphysics parameterizations in weather and climate models.

Thompson, Seth A. [Texas A & M Univ., College Stat↗
DOE OSTI2022

High-Energy X-ray Diffraction Microscopy for Nuclear Forensics FY2022 Project Report

Morphological information on nuclear material has been identified using visible light and scanning electron microscopy. These identify qualitative differences in particle morphology. Three-dimensional imaging of materials through alternating scanning electron microscopy imaging and focused ion beam milling has also been used. Unfortunately, these techniques are time- and labor-intensive, with significant sample preparation required and lengthy analysis times. Further, the resulting 3D images are qualitative, require manual identification, and do not capture statistically-representative populations. High energy X-ray 3D imaging using a direct-beam or diffracted-beam (High-Energy Diffraction Microscopy) have been developed at the Advanced Photon Source and can produce quantitative information on grains (phase, location, etc.) and pores (size distribution, sphericity) in a material. These techniques require only minutes to characterize a sample volume and are non-destructive, thus suitable for a wide range of existing samples and for confirmatory analyses to be carried out using conventional microscopy techniques. In this first year of the project, all uranium oxide samples were synthesized and characterized using conventional analyses by the analytical chemistry laboratory. Conventional analysis methods included powder x-ray diffraction, scanning electron microscopy, impurity analysis via inductively coupled plasma mass spectrometry, and infrared spectroscopy. Impurity analysis shows a drop in boron content from UO 3 to the lowest U 3 O 8 calcination temperature, but otherwise no appreciable difference in any sample. Analysis of diffraction data shows a flip of peaks from UO 3 dominated for the 600 °C calcined sample to U 3 O 8 dominated at 700 °C and 800 °C. Analysis of scanning electron microscopy images shows that with increased calcination temperature the size distribution of particles seems to increase and broaden. Both of these last findings are in line with previously published data, though this work used significantly fewer particles to simply show similar trends instead of getting truly quantitative particle analysis. Infrared analysis similarly shows ingrowth of U 3 O 8 as calcination temperature is increased, along with depression of peaks associated with UO 3 and water. Samples were prepared for analysis at the Advanced Photon Source at beamline 1-ID. It is anticipated that analysis will occur in November of 2022. AI/ML techniques to de-noise data coming out of 1-ID during the analyses was also developed during this time using previously gathered data. Preliminary results using a self-supervision technique called Noise2Selfshow good de-noising of data. Once the uranium oxide samples are analyzed, real data will be used to test the de-noising and other AI/ML techniques that may be developed in the second year of the project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

KIC 10975348: A Double-mode or Triple-mode High-amplitude δ Scuti Star?

In this paper, we analyze the light variations of KIC 10975348 using photometric data delivered from the Kepler mission. This star is exceptionally faint (K {sub p} = 18.6 mag) compared to most well-studied δ Scuti stars. The Fourier analysis of the short-cadence data (i.e., Q14, Q15, and Q16, spanning 220 days) reveals that the variations are dominated by the strongest mode with a frequency of F0 = 10.231899 day{sup −1}, which is compatible with that obtained from RATS–Kepler. The other two independent modes with F1 (=13.4988 day{sup −1}) and F2 (=19.0002 day{sup −1}) are newly detected and have amplitudes two orders of magnitude smaller than F0. We note that, for the first time, this star is identified to be a high-amplitude δ Sct (HADS) star with an amplitude of about 0.7 mag, and the lower ratio of F0/F1 = 0.758 suggests that it might be a metal-rich variable star. The frequency F2 may be a third overtone mode, suggesting that this target might be a new radial triple-mode HADS star. We perform an O − C analysis using 1018 newly determined times of maximum light and derive an ephemeris formula of T {sub max} = 2456170.241912(0)+0.097734(1) × E. The O − C diagram shows that the pulsation period of KIC 10975348 seems to show no obvious change, which is in contrast to that of the majority of HADS stars. The possible cause of that may be due to the current short time span of the observations. To verify its possible period variations, regular observation from space with a longer time span in the future is needed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

13 C-metabolic flux analysis of Clostridium ljungdahlii illuminates its core metabolism under mixotrophic culture conditions

Carbon dioxide-fixing acetogenic bacteria (acetogens) utilizing the Wood-Ljungdahl Pathway (WLP) play an important role in CO 2 fixation in the biosphere and in the development of biological processes – alone or in cocultures, under both autotrophic and mixotrophic conditions – for production of chemicals and fuels. To date, limited work has been reported in experimentally validating and quantifying reaction fluxes of their core metabolic pathways. Here, the core metabolic model of the acetogen Clostridium ljungdahlii was interrogated using 13 C-metabolic flux analysis ( 13 C-MFA), which required the development of a new defined culture medium. Autotrophic, heterotrophic, and mixotrophic growth in defined medium was possible by adding 1 mM methionine to replace yeast extract. Our 13 C-MFA found an incomplete TCA cycle and inactive core pathways/reactions, notably those of the oxidative pentose phosphate pathway, Entner-Doudoroff pathway, and malate dehydrogenase. 13 C-MFA during mixotrophic growth using the parallel tracers [1– 13 C]fructose, [1,2– 13 C]fructose, [1,2,3– 13 C]fructose, and [U– 13 C]asparagine found that externally supplied CO 2 contributed the majority of carbon consumed. All internally-produced CO 2 from the catabolism of asparagine and fructose was consumed by the WLP. While glycolysis of fructose was active, it was not a major contributor to overall production of ATP, NADH, and acetyl-CoA. Gluconeogenic reactions were active despite the availability of organic carbon. Asparagine was catabolized equally via conversion to threonine and subsequent cleavage to produce acetaldehyde and glycine, and via deamination to fumarate and then the anaplerotic conversion of malate to pyruvate. Both pathways for asparagine catabolism produced acetyl-CoA, either directly via pyruvate or indirectly via the WLP. Cofactor stoichiometry based on our data predicted an essentially zero flux through the ferredoxin-dependent transhydrogenase (Nfn) reaction. Instead, nearly all of NADPH generated from the hydrogenase reaction was consumed by the WLP. Reduced ferredoxin produced by the hydrogenase reaction and glycolysis was mostly used for ATP generation via the RNF/ATPase system, with the remainder consumed by the WLP. NADH produced by RNF/ATPase was entirely consumed via the WLP.

13C metabolic flux analysis↗
DOE OSTI2020

Analysis of muntjac deer genome and chromatin architecture reveals rapid karyotype evolution

Abstract Closely related muntjac deer show striking karyotype differences. Here we describe chromosome-scale genome assemblies for Chinese and Indian muntjacs, Muntiacus reevesi (2 n = 46) and Muntiacus muntjak vaginalis (2 n = 6/7), and analyze their evolution and architecture. The genomes show extensive collinearity with each other and with other deer and cattle. We identified numerous fusion events unique to and shared by muntjacs relative to the cervid ancestor, confirming many cytogenetic observations with genome sequence. One of these M. muntjak fusions reversed an earlier fission in the cervid lineage. Comparative Hi-C analysis showed that the chromosome fusions on the M. muntjak lineage altered long-range, three-dimensional chromosome organization relative to M. reevesi in interphase nuclei including A/B compartment structure. This reshaping of multi-megabase contacts occurred without notable change in local chromatin compaction, even near fusion sites. A few genes involved in chromosome maintenance show evidence for rapid evolution, possibly associated with the dramatic changes in karyotype.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Effects of helium on irradiation response of reduced-activation ferritic-martensitic steels: Using nickel isotopes to simulate fusion neutron response

Understanding the effects of helium on microstructures and mechanical properties of reduced-activation ferritic-martensitic steels is important to use of these steels in fusion reactor structures. The 9Cr-2WVTa steels were doped with 58Ni and 60Ni isotopes at 2 weight percent to control the rate of transmutation helium generation. The samples were irradiated in the High Flux Isotope Reactor to ~24 displacements per atom at nominal temperatures of 300, 400, and 500°C, producing 228 and 7 atomic parts-per-million helium in the 58 Ni- and 60 Ni-doped samples, respectively. Transmission electron microscopy revealed a variety of precipitates and the radiation-induced dislocation loops and cavities (voids or helium bubbles). Tensile tests of the irradiated samples at the irradiation temperatures showed radiation-induced hardening at 300°C and radiation-induced softening at 400°C. Analysis indicates that the hardening primarily originated from the loops and cavities. The 58 Ni-doped samples had greater strengthening contributions from loops and cavities, leading to higher hardening with lower ductility than the 60 Ni-doped samples. The greater helium production of 58 Ni did not show pronounced reductions in ductility of the samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantitative Determination of Biomass-derived Renewable Carbon in Fuels from Coprocessing of Bio-oils in Refinery Using a Stable Carbon Isotopic Approach

Increasing renewable carbon incorporation into conventional fuels through coprocessing with vacuum gas oil (VGO, a petroleum refining feedstock) is a critical step in biofuels development, scaling-up, adoption and associated GHG reduction. Optimization of the co-processing parameters maximizes incorporation of the renewable carbon in the fuel products. Quantitative determination of the renewable carbon content in the co-processed products provides direct evaluation of the parameters. The co-processing bio-oil with VGO through hydrocracking (HC) or fluid catalytic cracking (FCC) system resulted in carbon isotopic fractionation that prevented the direct use of the isotope mixing model for quantifying the renewable carbon. Here, we report an algorithm of using a stable carbon isotope approach to quantify the renewable carbon content in co-processing biofuel products through high-precision ?13C analysis. A controlled experiment carried out by blending a fossil diesel (-29.013‰) with a bio-diesel (-30.099‰) at various blending levels up to 98.0/2.0 wt% is presented and has demonstrated the applicability of this approach. The carbon isotope fractionation factors for the bio-oil co-processing were obtained by using a 14C-derived isotope-mixing model. The ?13C method was tested by co-processing 13C-labeled bio-crude and natural woody biomass-derived fast pyrolysis (FP) and catalytic fast pyrolysis (CFP) bio-oils with VGO. The results were verified by 14C accelerator mass spectrometry (AMS) method (ASTM-D6866) and compared with the yield mass balance (YMB) method. Strong agreement between d13C and 14C AMS methods demonstrated the applicability of the ?13C method to quantify renewable carbon content in co-processing fuel products and guide the co-processing optimization

Li, Zhenghua↗
DOE OSTI2024

Inverter Model Validation and Calibration Using Phasor Measurement Unit Data

As the penetration of inverter-based renewable energy resources increases in the power grid, especially at the distribution and microgrid levels, the need to accurately represent them in planning studies increases as well. However, due to the lack of well-established standard procedures, and vendor reluctance towards the detailed sharing of proprietary models, automated dynamic model validation and parameter calibration tools for inverter based resources (IBRs) remain scarce. This work presents a model validation and parameter calibration platform for representing IBRs with generic phasor-domain models. Phasor measurements of power system events are used for continuous validation using the data playback method, and model parameters are re-calibrated if a significant mismatch between measurements and model response is observed. Unique features of the proposed platform include- (a) an iterative Bayesian optimization approach towards parameter calibration to address a possible mismatch between the structures of generic models implemented in simulation softwares and actual commercial inverters, (b) error metrics designed to account for a possible mismatch between the time resolution of simulation and measurements, and (c) analysis of the measurement-simulation mismatch to provide guidance to engineering personnel regarding model shortcomings. The performance of the platform has been illustrated using both simulated data and field measurements to validate/calibrate inverter models in GridLAB-D.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Implications of Large- N c QCD for the NN Interaction

We present a method for ordering two-nucleon interactions based upon their scaling with the number of QCD colors, N c , in the limit that N c becomes large. Available data in the two-nucleon sector show general agreement with this ordering, indicating that the method may be useful in other contexts where data are less readily available. However, several caveats and potential pitfalls can make the large-N c ordering fragile and/or vulnerable to misinterpretation. We discuss the application of the large-N c analysis to two- and three-nucleon interactions, including those originating from weak and BSM (beyond the Standard Model) interactions, as well as two-nucleon external currents. Finally, we discuss some open questions in the field.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Hall Effect Study of the Metamagnetic Transition in the Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 Nanosheet

Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 shows a ferromagnetic (FM) transition at T C ~ 105 K with the magnetic easy axis in the ab plane, followed by a metamagnetic transition (MMT) at low temperatures when the magnetic field H is applied along the c axis, which is in sharp contrast to that of the pure Sr 4 Ru 3 O 10 , where the easy axis is along the c axis and the MMT is in the ab plane. Here, we studied the MMT in the Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 nanosheet by the Hall effect. It was found that the ordinary Hall coefficient of Sr 4 (Ru 0.99 Fe 0.01 ) 3 O 10 is almost the same as that of the pure Sr 4 Ru 3 O 10 , while a sudden increase in the Hall resistance R xy is observed below ~50 K, above which the R xy presents the conventional anomalous Hall effect up to T C . Analysis of the results indicates that the MMT has no direct correlation to the electronic structure but closely relates to the magnetic moment locking, where the magnetic-field-induced breakdown of the locked moments is responsible for the MMT.

36 MATERIALS SCIENCE↗