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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Mineral Protection and Resource Limitations Combine to Explain Profile-Scale Soil Carbon Persistence

The fate of soil carbon (C) is largely controlled by microbial oxidation of organic matter (OM), which is constrained by a variety of mechanisms. OM association with soil minerals provides pronounced protection against microbial decomposition. However, factors such as climate, occlusion, and resource limitations also contribute to OM preservation. Here, we explore the factors explaining C distribution and age within an upland rainforest soil in Hawai'i, a site with abundant preferential flow paths (PFPs) and high short-range order (SRO) mineral content. We characterized lateral and vertical changes in Δ 14 C, SRO mineral content, C-functional group chemistry, and microbial community composition to elucidate the contributions of multiple protection mechanisms to OM preservation. Consistent with our expectation, SRO mineral content and Δ 14 C were strongly correlated (R 2 = 0.95), indicating strong mineral protection of OM throughout the profile. Surprisingly, distance from PFP was also a significant predictor of Δ 14 C and improved model fit, particularly in the shallow horizons (R 2 = 0.97). Elevated C/N ratios, decreased microbial abundance, and greater SRO mineral content suggest nitrogen limitations and enhanced mineral protection constrain OM turnover with distance from PFPs in deep, subsurface mineral horizons. Steady microbial abundance, increasing putative anaerobe abundance, and changes in C-functional group chemistry indicate oxygen limitations constrain OM turnover in the matrix of shallow mineral horizons. Given that oxygen and nutrient limitations contribute to OM preservation in this high SRO system—an exemplar of mineral protection—resource limitations may play an even more important role in OM preservation in other well-structured soils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Joint Inversion of Body Wave Arrival Times, Surface Wave Dispersion Data and Receiver Functions: Method and Application to South China

In this work, we have developed a new joint inversion method that incorporates body wave arrival times, surface wave dispersion and receiver functions to simultaneously update earthquake locations and constrain three-dimensional P-wave (Vp) and S-wave velocity (Vs) models. Due to complementary sensitivities of the three types of data, the proposed joint inversion algorithm can reduce the intrinsic non-uniqueness of inversions using fewer types of data and better determine smooth velocity variations and velocity discontinuities. Synthetic tests demonstrate the advantages of this new joint inversion algorithm in resolving velocity structures, especially in constraining velocity gradients across the Moho interface. We have applied the proposed joint inversion algorithm to image the lithosphere velocity structure of south China. The inverted Vp and Vs models fit body wave arrival times, surface wave dispersion and receiver functions well. We further analyzed the distribution of Vs gradients across the Moho interface in detail, which helps us better understand tectonics in south China.

58 GEOSCIENCES↗
DOE OSTI2015

Lactobacillus rhamnosus GG-supplemented formula expands butyrate-producing bacterial strains in food allergic infants

Dietary intervention with extensively hydrolyzed casein formula supplemented with Lactobacillus rhamnosus GG (EHCF+LGG) accelerates tolerance acquisition in infants with cow’s milk allergy (CMA). We examined whether this effect is attributable, at least in part, to an influence on the gut microbiota. Fecal samples from healthy controls ( n =20) and from CMA infants ( n =19) before and after treatment with EHCF with ( n =12) and without ( n =7) supplementation with LGG were compared by 16S rRNA-based operational taxonomic unit clustering and oligotyping. Differential feature selection and generalized linear model fitting revealed that the CMA infants have a diverse gut microbial community structure dominated by Lachnospiraceae (20.5±9.7%) and Ruminococcaceae (16.2±9.1%). Blautia, Roseburia and Coprococcus were significantly enriched following treatment with EHCF and LGG, but only one genus, Oscillospira , was significantly different between infants that became tolerant and those that remained allergic. However, most tolerant infants showed a significant increase in fecal butyrate levels, and those taxa that were significantly enriched in these samples, Blautia and Roseburia , exhibited specific strain-level demarcations between tolerant and allergic infants. As a result, our data suggest that EHCF+LGG promotes tolerance in infants with CMA, in part, by influencing the strain-level bacterial community structure of the infant gut.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Structural basis of RNA cap modification by SARS-CoV-2

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), the causative agent of COVID-19 illness, has caused millions of infections worldwide. In SARS coronaviruses, the non-structural protein 16 (nsp16), in conjunction with nsp10, methylates the 5'-end of virally encoded mRNAs to mimic cellular mRNAs, thus protecting the virus from host innate immune restriction. We report here the high-resolution structure of a ternary complex of SARS-CoV-2 nsp16 and nsp10 in the presence of cognate RNA substrate analogue and methyl donor, S-adenosyl methionine (SAM). The nsp16/nsp10 heterodimer is captured in the act of 2'-O methylation of the ribose sugar of the first nucleotide of SARS-CoV-2 mRNA. We observe large conformational changes associated with substrate binding as the enzyme transitions from a binary to a ternary state. This induced fit model provides mechanistic insights into the 2'-O methylation of the viral mRNA cap. We also discover a distant (25 Å) ligand-binding site unique to SARS-CoV-2, which can alternatively be targeted, in addition to RNA cap and SAM pockets, for antiviral development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A substrate-induced gating mechanism is conserved among Gram-positive IgA1 metalloproteases

The mucosal adaptive immune response is dependent on the production of IgA antibodies and particularly IgA1, yet opportunistic bacteria have evolved mechanisms to specifically block this response by producing IgA1 proteases (IgA1Ps). Our lab was the first to describe the structures of a metal-dependent IgA1P (metallo-IgA1P) produced from Gram-positive Streptococcus pneumoniae both in the absence and presence of its IgA1 substrate through cryo-EM single particle reconstructions. This prior study revealed an active-site gating mechanism reliant on substrate-induced conformational changes to the enzyme that begged the question of whether such a mechanism is conserved among the wider Gram-positive metallo-IgA1P subfamily of virulence factors. Here, we used cryo-EM to characterize the metallo-IgA1P of a more distantly related family member from Gemella haemolysans, an emerging opportunistic pathogen implicated in meningitis, endocarditis, and more recently bacteremia in the elderly. While the substrate-free structures of these two metallo-IgA1Ps exhibit differences in the relative starting positions of the domain responsible for gating substrate, the enzymes have similar domain orientations when bound to IgA1. Together with biochemical studies that indicate these metallo-IgA1Ps have similar binding affinities and activities, these data indicate that metallo-IgA1P binding requires the specific IgA1 substrate to open the enzymes for access to their active site and thus, largely conform to an “induced fit” model.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Influence of NaCl on shape deformation of polymersomes

Polymersomes frequently appear in the literature as promising candidates for a wide range of applications from targeted drug delivery to nanoreactors. From a cell mimetic point of view, it is important to understand the size and shape changes of the vesicles in the physiological environment since that can influence the drug delivery mechanism. In this work we studied the structural features of polymersomes consisting of poly(ethylene glycol)–poly(dimethylsiloxane)–poly(ethylene glycol) at the nanoscopic length scale in the presence of NaCl, which is a very common molecule in the biotic aqueous environment. Here, we used dynamic light scattering (DLS), cryo-TEM, small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS). We observed transformation of polymersomes from spherical to elongated vesicles at low salt concentration and into multivesicular structures at high salt concentration. Model fitting analysis of SANS data indicated a reduction of vesicle radius up to 47% and from the SAXS data we observed an increase in membrane thickness up to 8% and an increase of the PDMS hydrophobic segment up to 11% indicating stretching of the membrane due to osmotic imbalance. Also, from the increase in the interlamellar repeat distance up to 98% under high salt concentrations, we concluded that the shape and structural changes observed in the polymersomes are a combined result of osmotic pressure change and ion–membrane interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Revisiting the K-edge X-ray absorption fine structure of Si, Ge–Si alloys, and the isoelectronic series: CuBr, ZnSe, GaAs, and Ge

Extended X-ray absorption fine structure (EXAFS) has evolved into an unprecedented local-structure technique that is routinely used to study materials’ problems in the biological, chemical, and physical sciences. Like many other experimental techniques, EXAFS also requires that several key atomic parameters must be known a priori before structural information can be quantitatively determined. Utilizing current analytical methods, we revisit the isoelectronic series CuBr, ZnSe, GaAs, and Ge originally studied by Stern et al. during the early development of EXAFS. We demonstrate that the ab initio EXAFS code FEFF accurately predicts the atomic phase shifts and backscattering amplitudes that are primarily functions of the sum of atomic numbers Z along an EXAFS scattering path. We also investigate quantitative fitting and first- and second-shell phase transferability together with problems that arise if a backscattering atom is identified incorrectly in an EXAFS fitting model. Features in the near-edge region, on the other hand, are shown to require a comprehensive treatment of the band structure and density-of-states, including effects of the screened Coulomb interaction between the photoelectron and core hole. Here, we demonstrate that the Bethe–Salpeter equation (BSE) accurately captures the NEXAFS (or XANES) portion of the spectrum for the isoelectronic series in addition to Si and Ge–Si alloys, including within a few eV of the absorption edge, where band structure and excitonic effects are most important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Euclid preparation: IV. Impact of undetected galaxies on weak-lensing shear measurements

In modern weak-lensing surveys, the common approach to correct for residual systematic biases in the shear is to calibrate shape measurement algorithms using simulations. These simulations must fully capture the complexity of the observations to avoid introducing any additional bias. In this paper we study the importance of faint galaxies below the observational detection limit of a survey. We simulate simplified Euclid VIS images including and excluding this faint population, and measure the shift in the multiplicative shear bias between the two sets of simulations. We measure the shear with three different algorithms: a moment-based approach, model fitting, and machine learning. We find that for all methods, a spatially uniform random distribution of faint galaxies introduces a shear multiplicative bias of the order of a few times 10 -3 . This value increases to the order of 10 -2 when including the clustering of the faint galaxies, as measured in the Hubble Space Telescope Ultra-Deep Field. The magnification of the faint background galaxies due to the brighter galaxies along the line of sight is found to have a negligible impact on the multiplicative bias. We conclude that the undetected galaxies must be included in the calibration simulations with proper clustering properties down to magnitude 28 in order to reach a residual uncertainty on the multiplicative shear bias calibration of a few times 10 -4 , in line with the 2 × 10 -3 total accuracy budget required by the scientific objectives of the Euclid survey. We propose two complementary methods for including faint galaxy clustering in the calibration simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Radial velocity variability and the evolution of hot subdwarf stars

Hot subdwarf stars represent a late and peculiar stage in the evolution of low-mass stars, since they are likely formed by close binary interactions. In this work, we perform a radial velocity (RV) variability study of a sample of 646 hot subdwarfs with multi-epoch radial velocities based on spectra from Sloan Digital Sky Survey (SDSS) and Large Sky Area Multi-Object Fibre Spectroscopic Telescope (LAMOST). The atmospheric parameters and RVs were taken from the literature. For stars with archival spectra but without literature values, we determined the parameters by fitting model atmospheres. In addition, we redetermined the atmospheric parameters and RVs for all the He-enriched sdO/Bs. This broad sample allowed us to study RV-variability as a function of the location in theT eff - log g- and T eff - log n (He)/n (H) diagrams in a statistically significant way. We used the fraction of RV-variable stars and the distribution of the maximum RV variations ΔRV max as diagnostics. Both indicators turned out to be quite inhomogeneous across the studied parameter ranges. A striking feature is the completely dissimilar behaviour of He-poor and He-rich hot subdwarfs. While the former have a high fraction of close binaries, almost no significant RV variations could be detected for the latter. This has led us to the conclusion that there is likely no evolutionary connection between these subtypes. On the other hand, intermediate He-rich- and extreme He-rich sdOB/Os are more likely to be related. Furthermore, we conclude that the vast majority of this population is formed via one or several binary merger channels. Hot subdwarfs with temperatures cooler than ~24 000 K tend to show fewer and smaller RV-variations. These objects might constitute a new subpopulation of binaries with longer periods and late-type or compact companions. The RV-variability properties of the extreme horizontal branch (EHB) and corresponding post-EHB populations of the He-poor hot subdwarfs match and confirm the predicted evolutionary connection between them. Stars found below the canonical EHB at somewhat higher surface gravities show large RV variations and a high RV variability fraction. These properties are consistent with most of them being low-mass EHB stars or progenitors of low-mass helium white dwarfs in close binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

A sample of dust attenuation laws for Dark Energy Survey supernova host galaxies

Type Ia supernovae (SNe Ia) are useful distance indicators in cosmology, provided their luminosity is standardized by applying empirical corrections based on light-curve properties. One factor behind these corrections is dust extinction, which is accounted for in the color–luminosity relation of the standardization. This relation is usually assumed to be universal, which can potentially introduce systematics into the standardization. The “mass step” observed for SN Ia Hubble residuals has been suggested as one such systematic. We seek to obtain a more complete view of dust attenuation properties for a sample of 162 SN Ia host galaxies and to probe their link to the mass step. We inferred attenuation laws toward hosts from both global and local (4 kpc) Dark Energy Survey photometry and composite stellar population model fits. We recovered a relation between the optical depth and the attenuation slope, best explained by differing star-to-dust geometry for different galaxy orientations, which is significantly different from the optical depth and extinction slope relation observed directly for SNe. We obtain a large variation of attenuation slopes and confirm these change with host properties, such as the stellar mass and age, meaning a universal SN Ia correction should ideally not be assumed. Analyzing the cosmological standardization, we find evidence for a mass step and a two-dimensional “dust step”, both more pronounced for red SNe. Although comparable, the two steps are not found to be completely analogous. We conclude that host galaxy dust data cannot fully account for the mass step, using either an alternative SN standardization with extinction proxied by host attenuation or a dust-step approach.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Analysis of soft x-ray/VUV transmission characteristics of Si and Al filters

Ultrathin filters of Al (1500A) and Si (1200A) should exhibit more than 65% transmission above their Labsorption edges in the soft x-ray/vacuum ultra violet region(Si L-edge: 124 A and Al L-edge: 170 A). However, the measured transmission characteristics of these filters showed {approx}40% transmission. The transmission measurements of these filters were carried at the reflectivity beamline of Indus-1 synchrotron source out over a large wavelength range of 120-360A. In order to understand the measured transmission performance a detailed model fitting is performed using the Paratt formalism. It is found that the oxidation of the surface region of the filters is responsible for the reduced transmission performance. Effects of higher harmonics of the toroidal grating monochromator are also considered in the data analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Investigation of the effect of bilayer membrane structures and fluctuation amplitudes on SANS/SAXS profile for short membrane wavelength

The effect of bilayer membrane structures and fluctuation amplitudes on small angle neutron scattering (SANS) and small angle X-ray scattering (SAXS) profile is investigated based on harmonic motions of the surfactant bilayers with bending as well as thickness fluctuation motions. In this study we consider the case in which the wavelength of the bilayer membrane is shorter than the thickness of the membrane. We find that the thickness of the surfactant bilayer membrane, d{sub m}, affects both q{sub dip} and q{sub peak} of I(q,0) profile, and that the fluctuation amplitude, a, of the membrane changes the peak of I(q,0). A simple formula is derived to estimate the thickness of the bilayer based on the q{sub dip} of the profile obtained from the simulation. The resulting estimates of the thickness of the bilayer with harmonic motion showed accuracy within 1%. Moreover, the bilayer thicknesses estimated from the proposed formula show an excellent agreement with the SANS and SAXS experimental results available in the literatures. We also propose a curve fit model, which describes the relationship between the fluctuation amplitude and the normalized q{sub peak} ratio. The present results show the feasibility of the simple formula to estimate the fluctuation amplitude based on the SANS and SAXS profiles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Comparative experimental investigation on the actuation mechanisms of ionic polymer–metal composites with different backbones and water contents

Water-based ionic polymer–metal composites (IPMCs) exhibit complex deformation properties, especially when the water content changes. To explore the general actuation mechanisms, both Nafion and Flemion membranes are used as the polymer backbones. IPMC deformation includes three stages: fast anode deformation, relaxation deformation, and slow anode deformation, which is mainly dependent on the water content and the backbone. When the water content decreases from 21 to 14 wt. %, Nafion–IPMC exhibits a large negative relaxation deformation, zero deformation, a positive relaxation deformation, and a positive steady deformation without relaxation in sequence. Despite the slow anode deformation, Flemion–IPMC also shows a slight relaxation deformation, which disappears when the water content is less than 13 wt. %. The different water states are investigated at different water contents using nuclear magnetic resonance spectroscopy. The free water, which decreases rapidly at the beginning through evaporation, is proven to be critical for relaxation deformation. For the backbone, indirect evidence from the steady current response is correlated with the slow anode deformation of Flemion-IPMC. The latter is explained by the secondary dissociation of the weak acid group –COOH. Finally, we thoroughly explain not only the three deformations by swelling but also their evolvement with decreasing water content. A fitting model is also presented based on a multi-diffusion equation to reveal the deformation processes more clearly, the results from which are in good agreement with the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Cosmic-ray induced gamma-ray emission from the starburst galaxy NGC 253

Cosmic rays in galaxies interact with the interstellar medium and give us a direct view of nuclear and particle interactions in the cosmos. For example, cosmic-ray proton interactions with interstellar hydrogen produce gamma rays via PcrPism→π{sup 0}→γγ. For a 'normal' star-forming galaxy like the Milky Way, most cosmic rays escape the Galaxy before such collisions, but in starburst galaxies with dense gas and huge star formation rate, most cosmic rays do suffer these interactions [1,2]. We construct a 'thick-target' model for starburst galaxies, in which cosmic rays are accelerated by supernovae, and escape is neglected. This model gives an upper limit to the gamma-ray emission. Only two free parameters are involved in the model: cosmic-ray proton acceleration energy rate from supernova and the proton injection spectral index. The pionic gamma-radiation is calculated from 10 MeV to 10 TeV for the starburst galaxy NGC 253, and compared to Fermi and HESS data. Our model fits NGC 253 well, suggesting that cosmic rays in this starburst are in the thick target limit, and that this galaxy is a gamma-ray calorimeter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Ultrafast carrier dynamics in polycrystalline bismuth telluride nanofilm

In this study, the dynamics of energy carriers in polycrystalline bismuth telluride nanofilm are investigated by the ultrafast pump-probe method. The energy relaxation processes are quantitatively analyzed by using the numerical fitting models. The extracted hot carrier relaxation times of photon excitation, thermalization, and diffusion are around sub-picosecond. The initial reflectivity recovery is found to be dominantly determined by the carrier diffusion, electron-phonon coupling, and photo-generated carriers trapping processes. High-frequency and low-frequency oscillations are both observed and attributed to coherent optical phonons and coherent acoustic phonons, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Method for extracting relevant electrical parameters from graphene field-effect transistors using a physical model

Due to its intrinsic high mobility, graphene has proved to be a suitable material for high-speed electronics, where graphene field-effect transistor (GFET) has shown excellent properties. In this work, we present a method for extracting relevant electrical parameters from GFET devices using a simple electrical characterization and a model fitting. With experimental data from the device output characteristics, the method allows to calculate parameters such as the mobility, the contact resistance, and the fixed charge. Differentiated electron and hole mobilities and direct connection with intrinsic material properties are some of the key aspects of this method. Moreover, the method output values can be correlated with several issues during key fabrication steps such as the graphene growth and transfer, the lithographic steps, or the metalization processes, providing a flexible tool for quality control in GFET fabrication, as well as a valuable feedback for improving the material-growth process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Microstructure evolution of Al-doped zinc oxide and Sn-doped indium oxide deposited by radio-frequency magnetron sputtering: A comparison

The microstructure and morphology evolution of Al-doped zinc oxide (AZO) and Sn-doped indium oxide (ITO) thin films on borosilicate glass substrates deposited by radio-frequency magnetron sputtering at room temperature (RT) and 300 °C were investigated by X-ray diffraction and atomic force microscopy (AFM). One-dimensional power spectral density (1DPSD) functions derived from the AFM profiles, which can be used to distinguish different growth mechanisms, were used to compare the microstructure scaling behavior of the thin films. The rms roughness R{sub q} evolves with film thickness as a power law, R{sub q} ∼ d{sub f}{sup β}, and different growth exponents β were found for AZO and ITO films. For AZO films, β of 1.47 and 0.56 are obtained for RT and 300 °C depositions, respectively, which are caused by the high compressive stress in the film at RT and relaxation of the stress at 300 °C. While for ITO films, β{sub 1} = 0.14 and β{sub 2} = 0.64 for RT, and β{sub 1} = 0.89 and β{sub 2} = 0.3 for 300 °C deposition are obtained, respectively, which is related to the strong competition between the surface diffusion and shadowing effect and/or grain growth. Electrical properties of both materials as a function of film thickness were also compared. By the modified Fuchs-Sondheimer model fitting of the electrical transport in both materials, different nucleation states are pointed out for both types of films.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Surface and interface states of Bi{sub 2}Se{sub 3} thin films investigated by optical second-harmonic generation and terahertz emission

We investigate the surface and interface states of Bi{sub 2}Se{sub 3} thin films by using the second-harmonic generation technique. Distinct from the surface of bulk crystals, the film surface and interface show the isotropic azimuth dependence of second-harmonic intensity, which is attributed to the formation of randomly oriented domains on the in-plane. Based on the nonlinear susceptibility deduced from the model fitting, we determine that the surface band bending induced in a space charge region occurs more strongly at the film interface facing the Al{sub 2}O{sub 3} substrate or capping layer compared with the interface facing the air. We demonstrate that distinct behavior of the terahertz electric field emitted from the samples can provide further information about the surface electronic state of Bi{sub 2}Se{sub 3}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗