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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

exRNA-eCLIP intersection analysis reveals a map of extracellular RNA binding proteins and associated RNAs across major human biofluids and carriers

Although the role of RNA binding proteins (RBPs) in extracellular RNA (exRNA) biology is well established, their exRNA cargo and distribution across biofluids are largely unknown. To address this gap, we extend the exRNA Atlas resource by mapping exRNAs carried by extracellular RBPs (exRBPs). This map was developed through an integrative analysis of ENCODE enhanced crosslinking and immunoprecipitation (eCLIP) data (150 RBPs) and human exRNA profiles (6,930 samples). Computational analysis and experimental validation identified exRBPs in plasma, serum, saliva, urine, cerebrospinal fluid, and cell-culture-conditioned medium. exRBPs carry exRNA transcripts from small non-coding RNA biotypes, including microRNA (miRNA), piRNA, tRNA, small nuclear RNA (snRNA), small nucleolar RNA (snoRNA), Y RNA, and lncRNA, as well as protein-coding mRNA fragments. Computational deconvolution of exRBP RNA cargo reveals associations of exRBPs with extracellular vesicles, lipoproteins, and ribonucleoproteins across human biofluids. Overall, we mapped the distribution of exRBPs across human biofluids, presenting a resource for the community.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A High Energy X-ray Diffraction Study of Amorphous Indomethacin

Amorphous pharmaceuticals often possess a wide range of molecular conformations and bonding arrangements. The x-ray pair distribution function (PDF) method is a powerful technique for the characterization of variations in both intra-molecular and inter-molecular packing arrangements. Here, the x-ray PDF of amorphous Indomethacin is shown to be particularly sensitive to the preferred orientations of the chlorobenzyl ring found in isomers in the crystalline state. In some cases, the chlorobenzyl ring has no preferred torsional angle in the amorphous form, while in others evidence of distinct isomer orientations are observed. Amorphous samples with no preferred torsion angles of the chlorobenzyl ring are found to favor enhanced inter-molecular hydrogen bonding, and this is reflected in the intensity of the first sharp diffraction peak. These significant variations in structure rule out amorphous Indomethacin as a possible standard for x-ray PDF measurements. At high humidity, time resolved PDF's for >40 h reveal water molecules forming hydrogen bonds with Indomethacin molecules. Finally, a simple linear hydrogen bond model indicates that water molecules in the wet amorphous form have similar hydrogen bond strengths to those found between Indomethacin dimers or chains in the dry amorphous form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Distinguishing Single and Linked Ruptures in the Laboratory and Nature

Earthquakes can grow either monotonically from a single, stressed patch or through linking multiple stressed regions. The distinction has implications for magnitude predictability with single ruptures requiring knowledge of the local stress state, while linked ruptures require knowing the global stress and energy distribution. Here, we use a laboratory fault that allows direct observation of slip to determine which fault conditions promote linked ruptures, and how to observationally evaluate their likelihood. Higher concentrations of normal stress due to increased normal force, applied stress asperities, or larger heterogeneity between the samples, all lead to significant increases in linked rupture likelihood. The mean radiated energy enhancement factor (REEF) of large events is an excellent proxy for linked event likelihood, and a combination of REEF and duration can identify the rupture style of some but not all events. The results imply that globally observed variations of REEF can be interpreted as variations in stress concentration.

earthquakes↗
DOE OSTI2025

Active oversight and quality control in standard Bayesian optimization for autonomous experiments

The fusion of experimental automation and machine learning has catalyzed a new era in materials research, prominently featuring Gaussian Process (GP) Bayesian Optimization (BO) driven autonomous experiments. Here we introduce a Dual-GP approach that enhances traditional GPBO by adding a secondary surrogate model to dynamically constrain the experimental space based on real-time assessments of the raw experimental data. This Dual-GP approach enhances the optimization efficiency of traditional GPBO by isolating more promising space for BO sampling and more valuable experimental data for primary GP training. We also incorporate a flexible, human-in-the-loop intervention method in the Dual-GP workflow to adjust for unanticipated results. We demonstrate the effectiveness of the Dual-GP model with synthetic model data and implement this approach in autonomous pulsed laser deposition experimental data. This Dual-GP approach has broad applicability in diverse GPBO-driven experimental settings, providing a more adaptable and precise framework for refining autonomous experimentation for more efficient optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Solvent effects on extractant conformational energetics in liquid–liquid extraction: a simulation study of molecular solvents and ionic liquids

Extractant design in liquid–liquid extraction (LLE) is a research frontier of metal ion separations that typically focuses on the direct extractant–metal interactions. However, a more detailed understanding of energetic drivers of separations beyond primary metal coordination is often lacking, including the role of solvent in the extractant phase. In this work, we propose a new mechanism for enhancing metal-complexant energetics with nanostructured solvents. Using molecular dynamics simulations with umbrella sampling, we find that the organic solvent can reshape the energetics of the extractant's intramolecular conformational landscape. Here, we calculate free energy profiles of different conformations of a representative bidentate extractant, n-octyl(phenyl)-N,N-diisobutyl carbamoyl methyl phosphinoxide (CMPO), in four different solvents: dodecane, tributyl phosphate (TBP), and dry and wet ionic liquid (IL) 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][Tf 2 N]). By promoting reorganization of the extractant molecule into its binding conformation, our findings reveal how particular solvents can ameliorate this unfavorable step of the metal separation process. In particular, the charge alternating nanodomains formed in ILs substantially reduce the free energy penalty associated with extractant reorganization. Importantly, using alchemical free energy calculations, we find that this stabilization persists even when we explicitly include the extracted cation. These findings provide insight into the energetic drivers of metal ion separations and potentially suggest a new approach to designing effective separations using a molecular-level understanding of solvent effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Monodisperse alginate microgel formation in a three-dimensional microfluidic droplet generator

Droplet based microfluidic systems provide an ideal platform for partitioning and manipulating aqueous samples for analysis. Identifying stable operating conditions under which droplets are generated is challenging yet crucial for real-world applications. A novel three-dimensional microfluidic platform that facilitates the consistent generation and gelation of alginate-calcium hydrogel microbeads for microbial encapsulation, over a broad range of backing pressures, in the absence of surfactants, is described. The unique three-dimensional design of the fluidic network utilizes a height difference at the junction between the aqueous sample injection and organic carrier channels to induce droplet formation via a surface tension enhanced self-shearing mechanism. Combined within a flow-focusing geometry, under constant pressure control, this arrangement facilitates predictable generation of droplets over a much broader range of operating conditions than conventional two-dimensional systems. The impact of operating pressures and geometry on droplet gelation, aqueous and organic material flow rates, microbead size and bead generation frequency are described. The system presented provides a robust platform for encapsulating single microbes in complex mixtures into individual hydrogel beads, and provides the foundation for the development of a complete system for sorting and analyzing microbes at the single cell level.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Suppression of activation energy and superconductivity by the addition of Al{sub 2}O{sub 3} nanoparticles in CuTl-1223 matrix

Low anisotropic (Cu{sub 0.5}Tl{sub 0.5})Ba{sub 2}Ca{sub 2}Cu{sub 3}O{sub 10−δ} (CuTl-1223) high T{sub c} superconducting matrix was synthesized by solid-state reaction and Al{sub 2}O{sub 3} nanoparticles were prepared separately by co-precipitation method. Al{sub 2}O{sub 3} nanoparticles were added with different concentrations during the final sintering cycle of CuTl-1223 superconducting matrix to get the required (Al{sub 2}O{sub 3}){sub y}/CuTl-1223, y = 0.0, 0.5, 0.7, 1.0, and 1.5 wt. %, composites. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, energy dispersive X-ray, and dc-resistivity (ρ) measurements. The activation energy and superconductivity were suppressed with increasing concentration of Al{sub 2}O{sub 3} nanoparticles in (CuTl-1223) matrix. The XRD analysis showed that the addition of Al{sub 2}O{sub 3} nanoparticles did not affect the crystal structure of the parent CuTl-1223 superconducting phase. The suppression of activation energy and superconducting properties is most probably due to weak flux pinning in the samples. The possible reason of weak flux pinning is reduction of weak links and enhanced inter-grain coupling due to the presence of Al{sub 2}O{sub 3} nanoparticles at the grain boundaries. The presence of Al{sub 2}O{sub 3} nanoparticles at the grain boundaries possibly reduced the number of flux pinning centers, which were present in the form of weak links in the pure CuTl-1223 superconducting matrix. The increase in the values of inter-grain coupling (α) deduced from the fluctuation induced conductivity analysis with the increased concentration of Al{sub 2}O{sub 3} nanoparticles is a theoretical evidence of improved inter-grain coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Phase contrast portal imaging using synchrotron radiation

Microbeam radiation therapy is an experimental form of radiation treatment with great potential to improve the treatment of many types of cancer. We applied a synchrotron radiation phase contrast technique to portal imaging to improve targeting accuracy for microbeam radiation therapy in experiments using small animals. An X-ray imaging detector was installed 6.0 m downstream from an object to produce a high-contrast edge enhancement effect in propagation-based phase contrast imaging. Images of a mouse head sample were obtained using therapeutic white synchrotron radiation with a mean beam energy of 130 keV. Compared to conventional portal images, remarkably clear images of bones surrounding the cerebrum were acquired in an air environment for positioning brain lesions with respect to the skull structure without confusion with overlapping surface structures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Ultrafast electron dynamics in platinum and gold thin films driven by optical and terahertz fields

Here, we investigate the ultrafast electron dynamics triggered by terahertz and optical pulses in thin platinum and gold films by probing their transient optical reflectivity. The response of the platinum film to an intense terahertz pulse is similar to the optically induced one and can be described by a two-temperature model with a 20% larger electron–phonon coupling for the terahertz-driven dynamics compared to the optically induced one, ascribed to an additional nonthermal electron–phonon coupling contribution. Surprisingly, gold films exhibit a much smaller terahertz pulse-induced reflectivity change and with a sign opposite to the optical case. Additionally we explain this remarkable observation with field emission of electrons due to Fowler–Nordheim tunneling, enabled in samples with thicknesses below the structural percolation threshold, where nanostructuring promotes near-field enhancement. Our results provide a fundamental insight into the ultrafast processes relevant to modern electro- and magneto-optical applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Defect enhancement of Er emission in single crystal Er 2 O 3

We report observations of crystal defect induced modifications in the laser-excited Er 3+ photoluminescence spectra of single-crystal Er 2 O 3 thin films. These include marked enhancement of transition intensities known to be weak or nonexistent in as-grown samples. In this Letter, we examine the temperature and defect density dependence of the measurements and suggest photophysical processes that may account for these unexpected results.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Spectral energy distribution analysis of class I and class II FU Orionis stars

FU Orionis stars (FUors) are eruptive pre-main sequence objects thought to represent quasi-periodic or recurring stages of enhanced accretion during the low-mass star-forming process. We characterize the sample of known and candidate FUors in a homogeneous and consistent way, deriving stellar and circumstellar parameters for each object. We emphasize the analysis in those parameters that are supposed to vary during the FUor stage. We modeled the spectral energy distributions of 24 of the 26 currently known FUors, using the radiative transfer code of Whitney et al. We compare our models with those obtained by Robitaille et al. for Taurus class II and I sources in quiescence periods by calculating the cumulative distribution of the different parameters. FUors have more massive disks: we find that ∼80% of the disks in FUors are more massive than any Taurus class II and I sources in the sample. Median values for the disk mass accretion rates are ∼10{sup –7} M {sub ☉} yr{sup –1} versus ∼10{sup –5} M {sub ☉} yr{sup –1} for standard young stellar objects (YSOs) and FUors, respectively. While the distributions of envelope mass accretion rates for class I FUors and standard class I objects are similar, FUors, on average, have higher envelope mass accretion rates than standard class II and class I sources. Most FUors (∼70%) have envelope mass accretion rates above 10{sup –7} M {sub ☉} yr{sup –1}. In contrast, 60% of the classical YSO sample has an accretion rate below this value. Our results support the current scenario in which changes experimented by the circumstellar disk explain the observed properties of these stars. However, the increase in the disk mass accretion rate is smaller than theoretically predicted, although in good agreement with previous determinations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE HELIUM CONTENT OF GLOBULAR CLUSTERS: NGC 6121 (M4)

In the context of the multiple stellar population scenario in globular clusters, helium (He) has been proposed as a key element to interpret the observed multiple main sequences, subgiant branches, and red giant branches, as well as the complex horizontal branch (HB) morphology. In particular, second-generation stars belonging to the bluer part of the HB are thought to be more He-rich ({Delta}Y = 0.03 or more) but also more Na-rich/O-poor than those located in the redder part that should have Y equal to the cosmological value. Up to now this hypothesis was only partially confirmed in NGC 6752, where stars of the redder zero-age HB showed an He content of Y = 0.25 {+-} 0.01, fully compatible with the primordial He content of the universe, and were all Na-poor/O-rich. Here we study hot blue horizontal branch (BHB) stars in the GC NGC 6121 (M4) to measure their He plus O/Na content. Our goal is to complete the partial results obtained for NGC 6752, focusing our attention on targets located on the bluer part of the HB of M4. We observed six BHB stars using the VLT2/UVES spectroscopic facility. Spectra of signal-to-noise ratio {approx} 150 were obtained and the very weak He line at 5875 A measured for all our targets. We compared this feature with synthetic spectra to obtain He abundances. In addition O, Na, and Fe abundances were estimated. Stars turned out to be all Na-rich and O-poor and to have a homogeneous He content with a mean value of Y = 0.29 {+-} 0.01(random) {+-} 0.01(systematic), which is enhanced by {Delta}Y {approx} 0.04 with respect to the most recent measurements of the primordial He content of the universe (Y {approx} 0.24/0.25). The high He content of blue HB stars in M4 is also confirmed by the fact that they are brighter than red HB stars (RHB). Theoretical models suggest the BHB stars are He-enhanced by {Delta}(Y) = 0.02/0.03 with respect to the RHB stars. The whole sample of stars has a metallicity of [Fe/H] = -1.06 {+-} 0.02 (internal error), in agreement with other studies available in the literature. This is a rare direct measurement of the (primordial) He abundance for stars belonging to the Na-rich/O-poor population of GC stars in a temperature regime where the He content is not altered by sedimentation or extreme mixing as suggested for the hottest, late helium flash HB stars. Our results support theoretical predictions that the Na-rich/O-poor population is also more He-rich than the Na-poor/O-rich generation and that a leading contender for the second parameter is the He abundance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

LARGE-SCALE CORONAL PROPAGATING FRONTS IN SOLAR ERUPTIONS AS OBSERVED BY THE ATMOSPHERIC IMAGING ASSEMBLY ON BOARD THE SOLAR DYNAMICS OBSERVATORY—AN ENSEMBLE STUDY

This paper presents a study of a large sample of global disturbances in the solar corona with characteristic propagating fronts as intensity enhancement, similar to the phenomena that have often been referred to as Extreme Ultraviolet Imaging Telescope (EIT) waves or extreme-ultraviolet (EUV) waves. Now EUV images obtained by the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory provide a significantly improved view of these large-scale coronal propagating fronts (LCPFs). Between 2010 April and 2013 January, a total of 171 LCPFs have been identified through visual inspection of AIA images in the 193 Å channel. Here we focus on the 138 LCPFs that are seen to propagate across the solar disk, first studying how they are associated with flares, coronal mass ejections (CMEs), and type II radio bursts. We measure the speed of the LCPF in various directions until it is clearly altered by active regions or coronal holes. The highest speed is extracted for each LCPF. It is often considerably higher than EIT waves. We do not find a pattern where faster LCPFs decelerate and slow LCPFs accelerate. Furthermore, the speeds are not strongly correlated with the flare intensity or CME magnitude, nor do they show an association with type II bursts. We do not find a good correlation either between the speeds of LCPFs and CMEs in a subset of 86 LCPFs observed by one or both of the Solar and Terrestrial Relations Observatory spacecraft as limb events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE HARPS-TERRA PROJECT. I. DESCRIPTION OF THE ALGORITHMS, PERFORMANCE, AND NEW MEASUREMENTS ON A FEW REMARKABLE STARS OBSERVED BY HARPS

Doppler spectroscopy has uncovered or confirmed all the known planets orbiting nearby stars. Two main techniques are used to obtain precision Doppler measurements at optical wavelengths. The first approach is the gas cell method, which consists of least-squares matching of the spectrum of iodine imprinted on the spectrum of the star. The second method relies on the construction of a stabilized spectrograph externally calibrated in wavelength. The most precise stabilized spectrometer in operation is the High Accuracy Radial velocity Planet Searcher (HARPS), operated by the European Southern Observatory in La Silla Observatory, Chile. The Doppler measurements obtained with HARPS are typically obtained using the cross-correlation function (CCF) technique. This technique consists of multiplying the stellar spectrum by a weighted binary mask and finding the minimum of the product as a function of the Doppler shift. It is known that CCF is suboptimal in exploiting the Doppler information in the stellar spectrum. Here we describe an algorithm to obtain precision radial velocity measurements using least-squares matching of each observed spectrum to a high signal-to-noise ratio template derived from the same observations. This algorithm is implemented in our software HARPS-TERRA (Template-Enhanced Radial velocity Re-analysis Application). New radial velocity measurements on a representative sample of stars observed by HARPS are used to illustrate the benefits of the proposed method. We show that, compared with CCF, template matching provides a significant improvement in accuracy, especially when applied to M dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Neutron Imaging at the Oak Ridge National Laboratory: Application to Biological Research

The Oak Ridge National Laboratory Neutron Sciences Directorate (NScD) has recently installed a neutron imaging beamline at the High Flux Isotope Reactor (HFIR) cold guide hall. The CG-1D beamline supports a broad range of user research spanning from engineering to material research, energy storage, additive manufacturing, vehicle technologies, archaeology, biology, and plant physiology. The beamline performance (spatial resolution, field of view, etc.) and its utilization for biological research are presented. The NScD is also considering a proposal to build the VENUS imaging beamline (beam port 10) at the Spallation Neutron Source (SNS). Unlike CG-1D which provides cold neutrons, VENUS will offer a broad range of neutron wavelengths, from epithermal to cold, and enhanced contrast mechanisms. This new capability will also enable the imaging of thicker biological samples than is currently available at CG-1D. A brief overview of the VENUS capability for biological research is discussed.

biology↗
DOE OSTI2019

Transmission Electron Microscopy Study on Microstructure of Degraded CdTe Mini-Modules

In this paper, we employ transmission electron microscopy coupled with energy-dispersive X-ray spectrometry (EDS) to study the structure and chemistry of cadmium telluride (CdTe) thin-film solar cells with different extents of degradation. The studied regions originate from the same photovoltaic mini-module, which was subjected to one-sun light exposure at a temperature of 100 degrees C for 400 h to induce light and heat degradation. EDS maps reveal a discontinuous CdS layer and particles rich in O and S but Te-depleted within the CdTe absorber layer after the light and heat stress. These features could act as enhanced recombination centers, resulting in decreased photovoltaic conversion efficiency. Additionally, the most degraded CdTe sample shows a strong accumulation of Na precisely localized in the discontinuous part of the CdS layer. The local Na concentration is determined to be ~16 at.%. In addition, appreciable Na accumulation is observed at the soda-lime glass/transparent conductive oxide interface in both degraded CdTe solar cells. The microstructure of the baseline CdTe mini-module with no stress was also investigated to demonstrate that the structure difference was caused by the light- and heat-induced degradation, instead of module fabrication. These results highlight the need to control the distribution of Na in fielded CdTe modules to sustain long-term high-power output.

14 SOLAR ENERGY↗
DOE OSTI2015

Thermal and plasma enhanced atomic layer deposition of TiO{sub 2}: Comparison of spectroscopic and electric properties

Titanium oxide (TiO{sub 2}) deposited by atomic layer deposition (ALD) is used as a protective layer in photocatalytic water splitting system as well as a dielectric in resistive memory switching. The way ALD is performed (thermally or plasma-assisted) may change the growth rate as well as the electronic properties of the deposited films. In the present work, the authors verify the influence of the ALD mode on functional parameters, by comparing the growth rate and electronic properties of TiO{sub 2} films deposited by thermal (T-) and plasma-enhanced (PE-) ALD. The authors complete the study with the electrical characterization of selected samples by means of capacitance–voltage and current–voltage measurements. In all samples, the authors found a significant presence of Ti{sup 3+} states, with the lowest content in the PE-ALD grown TiO{sub 2} films. The observation of Ti{sup 3+} states was accompanied by the presence of in-gap states above the valence band maximum. For films thinner than 10 nm, the authors found also a strong leakage current. Also in this case, the PE-ALD films showed the weakest leakage currents, showing a correlation between the presence of Ti{sup 3+} states and leakage current density.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Population Genomic Analysis of 1,777 Extended-Spectrum Beta-Lactamase-Producing Klebsiella pneumoniae Isolates, Houston, Texas: Unexpected Abundance of Clonal Group 307

Klebsiella pneumoniae is a major human pathogen responsible for high morbidity and mortality rates. The emergence and spread of strains resistant to multiple antimicrobial agents and documented large nosocomial outbreaks are especially concerning. To develop new therapeutic strategies for K. pneumoniae, it is imperative to understand the population genomic structure of strains causing human infections. To address this knowledge gap, we sequenced the genomes of 1,777 extended-spectrum beta-lactamase-producing K. pneumoniae strains cultured from patients in the 2,000-bed Houston Methodist Hospital system between September 2011 and May 2015, representing a comprehensive, population-based strain sample. Strains of largely uncharacterized clonal group 307 (CG307) caused more infections than those of well-studied epidemic CG258. Strains varied markedly in gene content and had an extensive array of small and very large plasmids, often containing antimicrobial resistance genes. Some patients with multiple strains cultured over time were infected with genetically distinct clones. We identified 15 strains expressing the New Delhi metallo-beta-lactamase 1 (NDM-1) enzyme that confers broad resistance to nearly all beta-lactam antibiotics. Transcriptome sequencing analysis of 10 phylogenetically diverse strains showed that the global transcriptome of each strain was unique and highly variable. Experimental mouse infection provided new information about immunological parameters of host-pathogen interaction. We exploited the large data set to develop whole-genome sequence-based classifiers that accurately predict clinical antimicrobial resistance for 12 of the 16 antibiotics tested. We conclude that analysis of large, comprehensive, population-based strain samples can assist understanding of the molecular diversity of these organisms and contribute to enhanced translational research.

59 BASIC BIOLOGICAL SCIENCES↗