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At least 631 records · Page 35

All sources NASA NTRS DOE OSTI

DOE OSTI2016

Printable enzyme-embedded materials for methane to methanol conversion

An industrial process for the selective activation of methane under mild conditions would be highly valuable for controlling emissions to the environment and for utilizing vast new sources of natural gas. The only selective catalysts for methane activation and conversion to methanol under mild conditions are methane monooxygenases (MMOs) found in methanotrophic bacteria; however, these enzymes are not amenable to standard enzyme immobilization approaches. Using particulate methane monooxygenase (pMMO), we create a biocatalytic polymer material that converts methane to methanol. We demonstrate embedding the material within a silicone lattice to create mechanically robust, gas-permeable membranes, and direct printing of micron-scale structures with controlled geometry. Remarkably, the enzymes retain up to 100% activity in the polymer construct. The printed enzyme-embedded polymer motif is highly flexible for future development and should be useful in a wide range of applications, especially those involving gas–liquid reactions.

03 NATURAL GAS↗

DOE OSTI2024

Manufacturing Supply Chain Development for Modular Solar-Thermochemical Conversion Platform [Abstract]

We will develop a tunable pulsed electron source capable of generating variable intensity highly-focused electron pulses at high repetition rates. Specifically, we need to demonstrate a high-speed variable electron gun capable of generating a variable intensity electron pulse containing between 102 and 105 electrons with an accelerating voltage of 1kV focused into a spot size <100nm in diameter at with a pulse rate >10MHz (with path to 300MHz). This combined performance cannot be achieved by commercially available electron sources. The primary technology path selected for this work will be to use a photocathode approach, where an easily modulated UV laser is used to stimulate electron emission. The approach utilizes the advances made in the development of the Dynamic TEM (DTEM), though this project will be simpler in that the pulse intensity is lower and there is no requirement for coherency. Alternate paths, including using a traditional electron beam modulated using a v-shaped slit and electrostatically deflecting the beam to adjust intensity; will also be considered for future capabilities. The electron source will then be used generate optically stimulated luminescence (OSL) in lithium fluoride (LiF) substrates to demonstrate the potential for OSL to serve as a basis technology for next generation data storage systems.

42 ENGINEERING↗

DOE OSTI2024

Optically Stimulated Luminescence Data Storage (Abstract)

42 ENGINEERING↗

DOE OSTI2018

High Selectivities among Monovalent Cations in Dialysis through Cation-Exchange Membranes Coated with Polyelectrolyte Multilayers

Cation-exchange membranes allow preferential passage of cations over anions, but they show minimal selectivity among cations, which limits their use in ion separations. Recent studies show that modification of cation-exchange membranes with polyelectrolyte multilayers leads to exceptional monovalent/divalent cation electrodialysis selectivities, but no studies report high selectivity among monovalent ions. Here, this work demonstrates that adsorption of protonated poly(allylamine) (PAH)/poly(4-styrenesulfonate) (PSS) multilayers on Nafion membranes leads to high K + /Li + selectivities in Donnan dialysis, where K + and Li + ions in a source phase pass through the membrane and exchange with Na + ions in a receiving phase. Addition of 0.01 M HNO 3 to a source phase containing 0.01 M KNO 3 and 0.01 M LiNO 3 increases the K + /Li + selectivity from 8 to ~60 through (PAH/PSS) 5 PAH-coated Nafion membranes, primarily because of a ≥fivefold increase in K + flux. These selectivities are much larger than the ratio of 1.9 for the aqueous diffusion coefficients of K + and Li + , and uncoated Nafion membranes give a K + /Li + selectivity <3. Bi-ionic transmembrane potential measurements at neutral pH confirm that the membrane is more permeable to K + than Li + , but this selectivity is less than in Donnan dialysis with acidic solutions. In situ ellipsometry data indicate that PAH/PSS multilayers (assembled at pH 2.3, 7.5, or 9.3) swell at pH 2.0, and this swelling may open cation-exchange sites that preferentially bind K + to enable highly selective transport. The coated membranes also exhibit modest selectivity for K + over H + , suggesting selective transport based on preferential partitioning of K + into the coatings. Selectivity declines when increasing the source-phase KNO 3 concentration to 0.1 M, perhaps because the discriminating transport pathway saturates. Finally, selectivities are lower in electrodialysis than in Donnan dialysis, presumably because electrodialysis engages other transport mechanisms, such as electroosmosis and strong electromigration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

Composite Loads Spectra for Select Space Propulsion Structural Components: Probabilistic Load Model Development

This effort is in support of the development of the expert system of computer codes to predict the loads on select structural components of a space propulsion engine. The development will be based primarily on the space shuttle main engine (SSME) test data base. Because of random variations of the many different sources of the loadings on the selected structural components and transients, a probabilistic approach to the problems was adopted. The goal of this task is to characterize all of the individual sources of loads at critical structural locations, such as the turbine blades, the transfer ducts, and liquid oxygen posts, using state-of-the-art probabilistic methods with varying levels of sophistication. The second phase of this work is the development of a composite load model based on a probabilistic synthesis of the individual load model previously developed. This model will be based on the stochastic combination of the load variables and not on the physical process for the combination of the individual loads to the composite load seen by the selected structural components.

Kurth, R.↗

DOE OSTI2025

18-membered macrocycle appended on resin for selective rare earth element extraction and separation

The rare earth elements are critically important for a wide range of modern technologies. However, obtaining them selectively and efficiently from natural sources and recycled materials is challenging and often requires harsh or wasteful conditions. Here we show that a macrocyclic chelator appended to a solid resin can overcome this challenge by acting as a robust platform for both the extraction and separation of these elements. This resin preferably captures the large rare earth elements in mixtures of these ions, giving rise to higher extraction efficiencies for them over the smaller ions. We further demonstrate that this resin can be used to separate rare earth elements. As a proof-of-principle validation, this resin was demonstrated to selectively extract rare earth elements in the presence of many different types of competing metal ions in a bioleachate solution obtained from autoslag waste, leading to their enrichment.

Coordination chemistry↗

DOE OSTI2026

Carbon dioxide pipeline network transportation cost model: evaluating economic and geographic factors for efficient carbon capture, storage, and utilization

This study presents a comprehensive pipeline network modeling framework to estimate the CO 2 delivery cost for CO 2 utilization and geologic CO 2 storage across the United States. We developed a Python-based CO 2 pipeline transportation cost model leveraging Argonne National Laboratory’s pipeline engineering expertise and detailed natural gas transmission pipeline cost data across U.S. regions. Using existing road corridors as practical routing guides, the model designs pipeline networks that aggregate CO 2 from one or multiple sources and deliver it to selected destinations. It then minimizes the total transportation cost by optimizing pipeline diameters and incorporating booster pumps. A key contribution is the incorporation of up-to-date, region-specific cost factors with itemized components for materials, labor, miscellaneous construction expenses, and right-of-way acquisition. Results emphasize that regional variation and economies of scale associated with CO 2 pipeline costs are significant and should be explicitly accounted for in screening and planning studies. By combining realistic routing constraints with regionalized cost inputs, the model provides transparent design methodology and location-specific insights into source–destination delivery costs, including the effects of routing complexity along existing road networks. We demonstrate the model with two illustrative case studies – one for CO 2 storage and one for CO 2 utilization – in which the model designs pipeline networks spanning hundreds of miles across the states, collecting CO 2 from multiple sources and delivering it to designated endpoints while minimizing levelized cost of delivery via diameter and compression optimization. The model offers a practical, scalable approach for alternative design option screening and early-stage CO 2 transportation planning.

CCS↗

DOE OSTI2021

A catalogue of white dwarfs in Gaia EDR3

ABSTRACT We present a catalogue of white dwarf candidates selected from Gaia Early Data Release 3 (EDR3). We applied several selection criteria in absolute magnitude, colour, and Gaia quality flags to remove objects with unreliable measurements while preserving most stars compatible with the white dwarf locus in the Hertzsprung–Russell diagram. We then used a sample of over 30 000 spectroscopically confirmed white dwarfs and contaminants from the Sloan Digital Sky Survey (SDSS) to map the distribution of these objects in the Gaia absolute magnitude–colour space. Finally, we adopt the same method presented in our previous work on Gaia Data Release 2 (DR2) to calculate a probability of being a white dwarf (PWD) for ≃1.3 million sources that passed our quality selection. The PWD values can be used to select a sample of ${\simeq} 359\,000$ high-confidence white dwarf candidates. We calculated stellar parameters (effective temperature, surface gravity, and mass) for all these stars by fitting Gaia astrometry and photometry with synthetic pure-H, pure-He, and mixed H–He atmospheric models. We estimate an upper limit of 93 per cent for the overall completeness of our catalogue for white dwarfs with G ≤ 20 mag and effective temperature (Teff) > 7000 K, at high Galactic latitudes (|b| > 20°). Alongside the main catalogue we include a reduced proper motion extension containing ${\simeq} 10\,200$ white dwarf candidates with unreliable parallax measurements that could, however, be identified on the basis of their proper motion. We also performed a cross-match of our catalogues with SDSS Data Release 16 (DR16) spectroscopy and provide spectral classification based on visual inspection for all resulting matches.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

THE MASSIVE STAR-FORMING REGIONS OMNIBUS X-RAY CATALOG

We present the Massive Star-forming Regions (MSFRs) Omnibus X-ray Catalog (MOXC), a compendium of X-ray point sources from Chandra/ACIS observations of a selection of MSFRs across the Galaxy, plus 30 Doradus in the Large Magellanic Cloud. MOXC consists of 20,623 X-ray point sources from 12 MSFRs with distances ranging from 1.7 kpc to 50 kpc. Additionally, we show the morphology of the unresolved X-ray emission that remains after the cataloged X-ray point sources are excised from the ACIS data, in the context of Spitzer and WISE observations that trace the bubbles, ionization fronts, and photon-dominated regions that characterize MSFRs. In previous work, we have found that this unresolved X-ray emission is dominated by hot plasma from massive star wind shocks. This diffuse X-ray emission is found in every MOXC MSFR, clearly demonstrating that massive star feedback (and the several-million-degree plasmas that it generates) is an integral component of MSFR physics.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Selected Area Manipulation of MoS 2 via Focused Electron Beam-Induced Etching for Nanoscale Device Editing

Here we demonstrate direct-write patterning of single and multilayer MoS 2 via a focused electron beam-induced etching (FEBIE) process mediated with the XeF 2 precursor. MoS 2 etching is performed at various currents, areal doses, on different substrates, and characterized using scanning electron and atomic force microscopies as well as Raman and photoluminescence spectroscopies. Scanning transmission electron microscopy reveals a sub-40 nm etching resolution and the progression of point defects and lateral etching of the consequent unsaturated bonds. The results confirm that the electron beam-induced etching process is minimally invasive to the underlying material in comparison to ion beam techniques, which damage the subsurface material. Single-layer MoS 2 field-effect transistors are fabricated, and device characteristics are compared for channels that are edited via the selected area etching process. The source–drain current at constant gate and source–drain voltage scale linearly with the edited channel width. Moreover, the mobility of the narrowest channel width decreases, suggesting that backscattered and secondary electrons collaterally affect the periphery of the removed area. Focused electron beam doses on single-layer transistors below the etching threshold were also explored as a means to modify/thin the channel layer. The FEBIE exposures showed demonstrative effects via the transistor transfer characteristics, photoluminescence spectroscopy, and Raman spectroscopy. While strategies to minimize backscattered and secondary electron interactions outside of the scanned regions require further investigation, here, we show that FEBIE is a viable approach for selective nanoscale editing of MoS 2 devices.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Tailoring spectral properties for entangled photon generation

The linear intensity scaling of entangled two-photon absorption (ETPA) offers a fundamental mechanism to enable nonlinear optical spectroscopy and microscopy under a substantially lower excitation power than is currently feasible. However, the long data acquisition time and low signal-to-noise ratio in reported ETPA-based spectroscopic and microscopic studies prevent its widespread application. To gain the full potential of this novel quantum light approach, it is essential to optimize entangled photon generation for significantly enhanced ETPA responses. Here, we report a new quantum light source by combining entangled photon generation with free-space femtosecond pump-pulse shaping. Here, through measurements of singles and coincidence counts by varying the patterns applied to a spatial light modulator to control the spectral widths of the pump pulses, we reveal strong dependence of the singles and coincidence count rates as well as their ratios on the spectral widths of pump pulses. An optimal spectral width for the highest ratios between the coincidence photon and the signal or idler photon count rates is also determined. Identification of such optimal spectral widths for entangled photon generation in the presence of postgeneration spectral selection makes this quantum light source a promising choice for ETPA-based spectroscopy and imaging.

Photon pairs & parametric down-conversion↗

DOE OSTI2015

Spectroscopic assessment of Wise-based young stellar object selection near λ and σ Orionis

We have conducted a sensitive search down to the hydrogen burning limit for unextincted stars over ~200 square degrees around Lambda Orionis and 20 square degrees around Sigma Orionis using the methodology of Koenig and Leisawitz. From WISE and 2MASS data we identify 544 and 418 candidate young stellar objects (YSOs) in the vicinity of λ and σ respectively. Based on our followup spectroscopy for some candidates and the existing literature for others, we found that ~80% of the K14-selected candidates are probable or likely members of the Orion star-forming region. The yield from the photometric selection criteria shows that WISE sources with K{sub S}-w3>1.5 mag and K{sub S} between 10 and 12 mag are most likely to show spectroscopic signs of youth, while WISE sources with K{sub S}-w3 > 4 mag and K{sub S}>12 were often active galactic nuclei when followed up spectroscopically. The population of candidate YSOs traces known areas of active star formation, with a few new “hot spots” of activity near Lynds 1588 and 1589 and a more dispersed population of YSOs in the northern half of the H ii region bubble around σ and ϵ Ori. A minimal spanning tree analysis of the two regions to identify stellar groupings finds that roughly two-thirds of the YSO candidates in each region belong to groups of 5 or more members. The population of stars selected by WISE outside the MST groupings also contains spectroscopically verified YSOs, with a local stellar density as low as 0.5 stars per square degree.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Computational materials assessment of the D/Li-stripping neutron source as a prototypical facility for fusion materials testing

As the US fusion materials community awaits the selection and design of a fusion prototypical neutron source (FPNS), a risk reduction exercise has been conducted to (i) provide an updated materials performance evaluation using state-of-the-art computational materials modeling, (ii) expand on legacy analysis based on pure Fe to other relevant fusion structural materials types, and (iii) ensure that materials response under FPNS operational conditions is consistent with referential fusion reactor conditions. The current paper describes the efforts undertaken to assemble a comprehensive computational methodology that includes neutronics, primary damage calculations, atomistic simulations of displacement cascades, chemical inventory evolution calculations, and a computational thermodynamic analysis of emerging phases during irradiation. Our work extends existing studies in pure Fe to reduced-activation ferritic/martensitic steels, tungsten, silicon carbide, and vanadium alloys. We focus on the single-beam deuteron/lithium-stripping neutron source behind the IFMIF-DONES concept, which we assess against ITER, two DEMO designs, and an ideal pure 14-MeV flux. Our analysis indicates that, within standard uncertainties inherent to the models employed, the DONES concept adequately captures fusion conditions in the four materials analyzed. Our work is intended as a comprehensive irradiation damage analysis of fusion-representative neutron sources, to be used for further neutron source evaluation and fusion facility operation.

Marian, Jaime [Univ. of California, Los Angeles, C↗

DOE OSTI2021

The CatWISE2020 Catalog

The CatWISE2020 Catalog consists of 1,890,715,640 sources over the entire sky selected from Wide-field Infrared Survey Explorer (WISE) and NEOWISE survey data at 3.4 and 4.6 μm (W1 and W2) collected from 2010 January 7 to 2018 December 13. This data set adds two years to that used for the CatWISE Preliminary Catalog, bringing the total to six times as many exposures spanning over 16 times as large a time baseline as the AllWISE catalog. The other major change from the CatWISE Preliminary Catalog is that the detection list for the CatWISE2020 Catalog was generated using crowdsource from Schlafly et al., while the CatWISE Preliminary Catalog used the detection software used for AllWISE. These two factors result in roughly twice as many sources in the CatWISE2020 Catalog. The scatter with respect to Spitzer photometry at faint magnitudes in the COSMOS field, which is out of the Galactic Plane and at low ecliptic latitude (corresponding to lower WISE coverage depth) is similar to that for the CatWISE Preliminary Catalog. The 90% completeness depth for the CatWISE2020 Catalog is at W1 = 17.7 mag and W2 = 17.5 mag, 1.7 mag deeper than in the CatWISE Preliminary Catalog. In comparison to Gaia, CatWISE2020 motions are accurate at the 20 mas yr-1 level for W1~15 mag sources and at the ~100 mas yr-1 level for W1~17 mag sources. This level of accuracy represents a 12 improvement over AllWISE. Finally, the CatWISE catalogs are available in the WISE/NEOWISE Enhanced and Contributed Products area of the NASA/IPAC Infrared Science Archive.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Probing Complexity using the Linac Coherent Light Source (LCLS) and the Advanced Light Source (ALS)

The goal of our research program is to investigate fundamental interactions between photons and molecular/nano-systems to advance our quantitative understanding of electron correlations, charge transfer and many body phenomena. Our research projects focus on probing, on a femtosecond time-scale, multi-electron interactions and tracing nuclear motion in order to understand, and ultimately control energy flow and charge transfer processes from electromagnetic radiation to matter. The experiments will be carried out with state of the art instrumentation built by the P.I. team with funds from a DoE "Single Investigator and Small Group Research" (SISGR) grant. The research projects carried out the past three years consisted of first experiments using the Linac Coherent Light Source (LCLS) x-ray free electron laser (FEL) facility at the SLAC National Laboratory, as well as the study of correlated processes in select anions using the Advanced Light Source (ALS). A report for the past cycle is described in section II. These studies have paved the way for our renewal application for the next three years. Our research interests for the next three years extend our past and present research by carrying out time-resolved measurements described in section III. They will consist of: a) The study of molecular dynamics that happen on ultrafast time scales, using pump-probe schemes and the study of non-linear physics in the x-ray regime via multi-photon absorption from the LCLS. This will be achieved by measuring and examining both electronic and nuclear dynamics subsequent to the interaction of molecules and nano-systems with LCLS pulses of various wavelength, intensity and pulse duration as described in section III.A. b) The study of molecular dynamics and correlated processes via absorption of vuv-soft x-rays from the Advanced Light Source (ALS) at Lawrence Berkeley Laboratory to provide single-photon ionization baseline results for LCLS studies. In addition, we will study the photodetachment of anions using the ALS as described in section III. B. The PI has an ALS approved program (AP) thus has guaranteed beamtime. Our research underpins several aspects of the DOE mission since our investigations of the formation and evolution of energized states in molecules and nanostructures provides a fundamental basis for understanding elementary processes in solar energy conversion and radiation-induced chemistry. Most of our work is carried out in a strong partnership with theorists. Our proposed work falls in the class of research reported to be timely and necessary by the 2013 DoE Basic Energy Sciences Advisory Committee (BESAC) Subcommittee report on Future X-ray Light Sources. Specifically, our proposed experiments fall in the category labeled class II, “Spectroscopy and Dynamics with FELs”.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2010

Automatic Identification of Solar X-Ray Bright Points in Hinode X-Ray Data

We have automated a method that is used to find point sources in Chandra X-ray telescope data, to identify solar bright points in Hinode X-ray data. This tool, called lextrct, first identifies candidate sources that are brighter than the surrounding background. The algorithm also allows selected pixels to be excluded from the source-finding, thus allowing saturated pixels (from flares and/or active regions) to be ignored. We then use lextrct to fit the sources to two-dimensional, elliptical Gaussians. The size and orientation give an approximation of the shape of the bright points. We are in the process of analyzing observations through the Al_poly filter with a four-second exposure time, to obtain a catalogue of bright points, which will include their sizes, lifetimes, intensities, and position on the solar disk

Adams, M. L.↗

DOE OSTI2014

Resonance ionization laser ion sources for on-line isotope separators (invited)

A Resonance Ionization Laser Ion Source (RILIS) is today considered an essential component of the majority of Isotope Separator On Line (ISOL) facilities; there are seven laser ion sources currently operational at ISOL facilities worldwide and several more are under development. The ionization mechanism is a highly element selective multi-step resonance photo-absorption process that requires a specifically tailored laser configuration for each chemical element. For some isotopes, isomer selective ionization may even be achieved by exploiting the differences in hyperfine structures of an atomic transition for different nuclear spin states. For many radioactive ion beam experiments, laser resonance ionization is the only means of achieving an acceptable level of beam purity without compromising isotope yield. Furthermore, by performing element selection at the location of the ion source, the propagation of unwanted radioactivity downstream of the target assembly is reduced. Whilst advances in laser technology have improved the performance and reliability of laser ion sources and broadened the range of suitable commercially available laser systems, many recent developments have focused rather on the laser/atom interaction region in the quest for increased selectivity and/or improved spectral resolution. Much of the progress in this area has been achieved by decoupling the laser ionization from competing ionization processes through the use of a laser/atom interaction region that is physically separated from the target chamber. A new application of gas catcher laser ion source technology promises to expand the capabilities of projectile fragmentation facilities through the conversion of otherwise discarded reaction fragments into high-purity low-energy ion beams. A summary of recent RILIS developments and the current status of laser ion sources worldwide is presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer

The carbenium ion with nominal formula [C,H{sub 4},O]{sup +} is produced from methanol or ethylene glycol in a pulsed-discharge supersonic expansion source. The ion is mass selected, and its infrared spectrum is measured from 2000 to 4000 cm{sup −1} using laser photodissociation spectroscopy and the method of rare gas atom tagging. Computational chemistry predicts two isomers, the methanol and methylene-oxonium cations. Predicted vibrational spectra based on scaled harmonic and reduced dimensional treatments are compared to the experimental spectra. The methanol cation is the only isomer produced when methanol is used as a precursor. When ethylene glycol is used as the precursor, methylene-oxonium is produced in addition to the methanol cation. Theoretical results at the CCSD(T)/cc-pVTZ level show that methylene-oxonium is lower in energy than methanol cation by 6.4 kcal/mol, and is in fact the global minimum isomer on the [C,H{sub 4},O]{sup +} potential surface. Methanol cation is trapped behind an isomerization barrier in our source, providing a convenient method to produce and characterize this transient species. Analysis of the spectrum of the methanol cation provides evidence for strong CH stretch vibration/torsion coupling in this molecular ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗