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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Interface-induced superconductivity in magnetic topological insulators

The interface between two different materials can show unexpected quantum phenomena. Here, in this study, we used molecular beam epitaxy to synthesize heterostructures formed by stacking together two magnetic materials, a ferromagnetic topological insulator (TI) and an antiferromagnetic iron chalcogenide (FeTe). We observed emergent interface-induced superconductivity in these heterostructures and demonstrated the co-occurrence of superconductivity, ferromagnetism, and topological band structure in the magnetic TI layer—the three essential ingredients of chiral topological superconductivity (TSC). The unusual coexistence of ferromagnetism and superconductivity is accompanied by a high upper critical magnetic field that exceeds the Pauli paramagnetic limit for conventional superconductors at low temperatures. These magnetic TI/FeTe heterostructures with robust superconductivity and atomically sharp interfaces provide an ideal wafer-scale platform for the exploration of chiral TSC and Majorana physics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Unraveling Hidden Order and Dynamics in a Heterogeneous Ferroelectric System Using Machine Learning

We uploaded two batches of datasets: Batch-a) Equilibrium dynamics at a constant temperature at zero electric-field, with one trajectory each for 4-different defect structures (i.e. SETs 1 to 4). Each trajectory has a time-step of 0.25 fs, and is run for 7775000 time-steps, with snapshots written out every 4 time-steps (i.e. every 1fs); and Batch-b) Non-Equilibrium dynamics at a constant temperature with the same 0.25 fs time-step, but data dumped every 500 times-steps (i.e. every 125fs) for each of the SETs. The total trajectory of each defect structure (i.e. each SETs 1 to 4) is 2800000 time-steps (5600 snapshots), with stepping of electric-field by 0.01 V/Ã…, after every 100,000 time-steps (i.e. every 200 snapshots), from E=0 to E=0.05 V/Ã… to E = -0.05 V/Ã… to E=0.05 V/Ã….

36 MATERIALS SCIENCE↗
DOE OSTI2024

Benchmarking of ENDF/B-VIII.1 Thermal Scattering Library for Hydrogen

In correctly characterizing the energy and momentum transfer at thermal and cold energies between neutrons and its interacting medium, thermal scattering libraries, which details energy states due to the intra- and inter-molecular bond effects for the medium materials, are applied in place of free-gas cross section libraries in a particle transport simulation code. They are essential to the neutron performance of a neutron facility like SNS, where thermalized neutrons from 20 K liquid hydrogen and ambient (~300 K) water are transported to the beamlines for neutron scattering experiments in studying materials. Recently, a new version of thermal scattering library for parahydrogen and orthohydrogen at 14-20 K was developed and to be released in ENDF/B-VIII.1. It is, therefore, important to benchmark its impacts on the prediction of moderator performance due to the updates in the thermal scattering library. In this study, the recent ENDF/B-VIII.1 thermal scattering library was compared to the current ENDF/B-VII.1 one in the neutron performance calculations for the decoupled and coupled hydrogen moderators at SNS under theorized and real working conditions. In addition, the predictions using both thermal scattering libraries were benchmarked to the measurements of moderator performance. The consistency between the libraries was observed mostly for parahydrogen and the difference in orthohydrogen at cold neutron energies was noted.

Lu, Wei↗
DOE OSTI2025

Investigating intermolecular interactions among CO 2 , water and PEEK-ionene membrane using cryo ToF-SIMS and isotopic labeling

Cryogenic time-of-flight secondary ion mass spectrometry (cryo ToF-SIMS) has emerged as a powerful tool for investigating molecular interactions, speciation, and dynamics in materials for CO 2 capture. In this study, we apply cryo ToF-SIMS to probe interactions between CO 2 , water, and PEEK-ionene membranes—a promising material for direct CO 2 capture due to its selectivity, durability, and efficiency. Despite this potential, the mechanisms governing CO 2 diffusion and the influence of water vapor on CO 2 behavior remain unclear. To address this, we loaded PEEK-ionene membranes with 13 CO 2 and D 2 O and employed cryo ToF-SIMS to visualize the 3D distribution of CO 2 and water within the membrane. While prior studies suggest that 13 CO 2 is absorbed under ambient conditions, our cryo ToF-SIMS analysis revealed no enhancement of the 13 C/ 12 C ratio, suggesting weak CO 2 -membrane interactions. As a result, CO 2 vaporizes even at low temperatures (−140°C) under vacuum conditions. In contrast, D 2 O displayed a relatively homogeneous distribution in the membrane, suggesting stronger water-membrane interactions via hydrogen bonding (18–20 kJ/mol). Interestingly, CO 2 was not detected in D 2 O-loaded membranes, indicating minimal interference from water vapor on CO 2 diffusion. As a comparison, the cryo ToF-SIMS data show that 13 CO 2 can readily react with a basic Na 2 CO 3 aqueous solution to form NaH 13 CO 3 . These findings demonstrate cryo ToF-SIMS as a critical technique for understanding gas-water-membrane interactions, offering insights for membrane functionalization to improve CO 2 capture efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Charge Transport Characteristics of Molecular Electronic Junctions Studied by Transition Voltage Spectroscopy

The field of molecular electronics is prompted by tremendous opportunities for using a single-molecule and molecular monolayers as active components in integrated circuits. Until now, a wide range of molecular devices exhibiting characteristic functions, such as diodes, transistors, switches, and memory, have been demonstrated. However, a full understanding of the crucial factors that affect charge transport through molecular electronic junctions should yet be accomplished. Remarkably, recent advances in transition voltage spectroscopy (TVS) elucidate that it can provide key quantities for probing the transport characteristics of the junctions, including, for example, the position of the frontier molecular orbital energy relative to the electrode Fermi level and the strength of the molecule–electrode interactions. These parameters are known to be highly associated with charge transport behaviors in molecular systems and can then be used in the design of molecule-based devices with rationally tuned electronic properties. This article highlights the fundamental principle of TVS and then demonstrates its major applications to study the charge transport properties of molecular electronic junctions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling Solution Drying by Moving a Liquid-Vapor Interface: Method and Applications

A method of simulating the drying process of a soft matter solution with an implicit solvent model by moving the liquid-vapor interface is applied to various solution films and droplets. For a solution of a polymer and nanoparticles, we observe “polymer-on-top” stratification, similar to that found previously with an explicit solvent model. Furthermore, “polymer-on-top” is found even when the nanoparticle size is smaller than the radius of gyration of the polymer chains. For a suspension droplet of a bidisperse mixture of nanoparticles, we show that core-shell clusters of nanoparticles can be obtained via the “small-on-outside” stratification mechanism at fast evaporation rates. “Large-on-outside” stratification and uniform particle distribution are also observed when the evaporation rate is reduced. Polymeric particles with various morphologies, including Janus spheres, core-shell particles, and patchy particles, are produced from drying droplets of polymer solutions by combining fast evaporation with a controlled interaction between the polymers and the liquid-vapor interface. Our results validate the applicability of the moving interface method to a wide range of drying systems. The limitations of the method are pointed out and cautions are provided to potential practitioners on cases where the method might fail.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Development of Post-Consumer Textile Waste Degradation Protocol and Related Downstream Transformations: Cooperative Research and Development (Final Report)

Tereform, Inc. (Tereform) is developing molecular deconstruction processes to transform waste materials into chemical building blocks. During the CRADA, Tereform deconstructed real-world post-consumer substrates into chemical monomers, validated their performance on laboratory scales, demonstrated feasibility of the degradation products in downstream transformations, and successfully scaled the reaction to kilogram-scale. These results were used to develop and refine technoeconomic analysis and lifecycle assessments to evaluate the economic feasibility and environmental impacts of the process.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Mass loss from red giants - A simple evolutionary model for NGC 7027

NGC 7027 is a young planetary nebula with the remnants of a red giant circumstellar envelope surrounding the central, ionized region. By comparing the outer molecular envelope with the inner ionized material, it is argued that the mass loss rate has decreased by at least a factor of 3, and more probably by about a factor of 10, during the past 1000 years. From this result, it is argued that the luminosity of the central star has also decreased substantially during the same time, consistent with models for the rapid evolution of stars just after they evolve off the asymptotic giant branch. In this picture, the distance to NGC 7027 is less than 1300 pc. NGC 7027 was the last (and best) example of a star where apparently the momentum in the outflowing mass /M(dot)v/ is considerably greater than the momentum in the radiation field (L/c). With the above description of this object, the evidence is now strong that quite often the mass lost from late-type giants is ultimately driven to infinity by radiation pressure on grains. If M(dot)v is as large as L/c for asymptotic branch stars, then it is expected that the total amount of mass lost during this stage of evolution is of the same magnitude as the initial mass of the star, and therefore this mass loss can profoundly affect the star's ultimate fate.

Jura, M.↗
NASA NTRS1990

Thermal emission spectra of Mars (5.4-10.5 microns) - Evidence for sulfates, carbonates, and hydrates

Spectra of the Martian thermal emission in the 5.4-10.5 micron region are reported. Emission features at 7.8 and 9.7 microns are attributed to surface silicates, and an emission feature at 6.1 micron is attributed to a molecular water component of the surface material. An absorption band at 8.7 micron and a possible one at 9.8 microns is attributed to sulfate or bisulfate anions probably located at a distorted crystalline site, and an absorption band at 6.7 microns is attributed to carbonate or bicarbonate anions located in a distorted crystalline site. Spectral simulations indicate that the sulfate- and carbonate-bearing minerals are contained in the same particles of airborne dust as the dominant silicate minerals, that the dust optical depth is about 0.6 at a reference wavelength of 0.3 micron over the area of the observed spots, and that sulfates and carbonates constitute 10-15 percent and 1-3 percent by volume of the airborne dust, respectively.

Pollack, James B.↗
NASA NTRS1991

Structural modification of polysaccharides: A biochemical-genetic approach

Polysaccharides have a wide range of industrial and biomedical applications. An industry trend is underway towards the increased use of bacteria to produce polysaccharides. Long term goals of this work are the adaptation and enhancement of saccharide properties for electronic and optic applications. In this report we illustrate the application of enzyme-bearing bacteriophage on strains of the enteric bacterium Klebsiella pneumoniae, which produces a polysaccharide with the relatively rare rheological property of drag-reduction. This has resulted in the production of new polysaccharides with enhanced rheological properties. Our laboratory is developing techniques for processing and structurally modifying bacterial polysaccharides and oligosaccharides which comprise their basic polymeric repeat units. Our research has focused on bacteriophage which produce specific polysaccharide degrading enzymes. This has lead to the development of enzymes generated by bacteriophage as tools for polysaccharide modification and purification. These enzymes were used to efficiently convert the native material to uniform-sized high molecular weight polymers, or alternatively into high-purity oligosaccharides. Enzyme-bearing bacteriophage also serve as genetic selection tools for bacteria that produce new families of polysaccharides with modified structures.

Kern, Roger G.↗
NASA NTRS1994

Phenylethynyl-Terminated Polyimides

Phenylethynyl-terminated polyimides exhibit properties suitable for films, moldings, adhesives, and composite-material matrices. Polyimides synthesized at various molecular weights, selected to obtain desirable properties for specific applications. Thermally cured to form cross-linked molecular structures typically increasing resistance to solvents, glass-transition temperatures, and moduli of elasticity. Also have low molecular weights and low melt viscosities for easier processing into composites and adhesive bonds.

Jensen, Brian J.↗
NASA NTRS1993

Thermal-infrared emission spectroscopy of natural surfaces: Application to coated surfaces

Thermal-infrared vibrational spectroscopy has great potential for remotely determining the composition of planetary surface materials by taking advantage of fundamental molecular vibrational modes that produce spectral features in the range from approximately 3 to greater than 50 microns. Much of the current interest in the thermal infrared wavelength region stems from the deployment of multispectral scanners, such as the Thermal Infrared Multispectral Scanner (TIMS) and the Mars Observer Thermal Emission Spectrometer (TES). In order to support these missions, it is necessary to develop an appropriate library of laboratory measurements. The purpose of this work was to develop a technique which, with a very limited set of assumptions, can be used to determine the emissivity of natural surfaces directly by using emitted energy.

Christensen, Philip R.↗
NASA NTRS1995

An improved spectral calibration requirement for AVIRIS

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures spectra from 400 to 2500 nm through 224 contiguous spectral channels. These spectra are used to identify and determine the abundances of constituents of the earth's surface and atmosphere through the analysis of spectral molecular absorptions and scattering properties of materials. Spectral calibration of the AVIRIS is required to pursue these determinations, which are based on these fundamental spectral characteristics. The spectral calibration of AVIRIS consists of a description of the spectral response function for each of the 224 spectral channels. The spectral response function of AVIRIS channels was measured in the laboratory and shown to be Gaussian in shape. A subset of nine AVIRIS spectral channels is shown with channel centers at 10 nm intervals and channel shapes of Gaussian form with 10 nm full width and half maximum (FWHM). For AVIRIS the spectral calibration is described by the spectral center and FWHM of a Gaussian function for each channel. Uncertainty in the determination of the spectral center and FWHM for each channel are also reported. This paper presents results from an investigation of the sensitivity of AVIRIS-measured upwelling radiance to errors in spectral calibration. Based on this sensitivity analysis in conjunction with earlier work, an improved spectral calibration requirement for AVIRIS is proposed.

Green, Robert O.↗
NASA NTRS1996

International Research Project on the Effects of Chemical Ageing of Polymers on Performance Properties: Chemical and Thermal Analysis

Work during the past six months has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted small changes in the molecular weight distribution. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Ultra- Violet Scanning Analysis, GC/Mass Spectrometry, Differential Scanning Calorimetry and Thermomechanical Analysis. In the ultra-violet analysis we noted the presence of an absorption band indicative of triene formation. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. We also cast films at SWT and subjected these films to a refluxing methanol 1% ethylene diamine solution. An updated literature search was conducted using Dialog and DROLLS to identify any new papers that may have been published in the open literature since the start of this project. The updated literature search and abstracts are contained in the Appendix section of this report.

Bulluck, J. W.↗
NASA NTRS2003

Isotopic Composition of Silicon Carbide in the CO3 Chondrite Colony

Presolar grains have been identified in primitive members of all chondrite classes. The isotopic compositions of presolar grains provide probes of galactic evolution and nucleosynthesis in stars, while the abundances and characteristics of presolar grains contain a record of thermal processing in the solar system. Most of the detailed isotopic work has been done on SiC from Murchison and Orgueil, supplemented by a few studies of ordinary and enstatite chondrites. This work investigates SiC in the Colony CO3.O meteorite. SiC is present in Colony at a matrix-normalized abundance of approximately 3.7 ppm, much less than in CI chondrites and the matrixes of CM and primitive ordinary and enstatite chondrites. The abundances of SiC and other presolar grains in Colony seem to correlate with the chemical processing that produced CO3 chondrites. This implies that the known presolar grains experienced the same processing as the bulk CO3 material and assumes that the parent material was the same as that for other chondrites, including CI. That parent material is most plausibly the average material in the sun s parent molecular cloud. One test of this idea is to look for primary differences between SiC in Colony (and other meteorites) and that in CI and CM chondrites. True differences not related to thermal processing would falsify the assumption that all chondrite classes originated from the same reservoir of presolar dust.

Smith, J. B.↗
NASA NTRS2008

Spray Chemical Vapor Deposition of Single-Source Precursors for Chalcopyrite I-III-VI2 Thin-Film Materials

Thin-film solar cells on flexible, lightweight, space-qualified substrates provide an attractive approach to fabricating solar arrays with high mass-specific power. A polycrystalline chalcopyrite absorber layer is among the new generation of photovoltaic device technologies for thin film solar cells. At NASA Glenn Research Center we have focused on the development of new single-source precursors (SSPs) for deposition of semiconducting chalcopyrite materials onto lightweight, flexible substrates. We describe the syntheses and thermal modulation of SSPs via molecular engineering. Copper indium disulfide and related thin-film materials were deposited via aerosol-assisted chemical vapor deposition using SSPs. Processing and post-processing parameters were varied in order to modify morphology, stoichiometry, crystallography, electrical properties, and optical properties to optimize device quality. Growth at atmospheric pressure in a horizontal hotwall reactor at 395 C yielded the best device films. Placing the susceptor closer to the evaporation zone and flowing a more precursor-rich carrier gas through the reactor yielded shinier-, smoother-, and denser-looking films. Growth of (112)-oriented films yielded more Cu-rich films with fewer secondary phases than growth of (204)/(220)-oriented films. Post-deposition sulfur-vapor annealing enhanced stoichiometry and crystallinity of the films. Photoluminescence studies revealed four major emission bands and a broad band associated with deep defects. The highest device efficiency for an aerosol-assisted chemical vapor deposited cell was one percent.

Hepp, Aloysius F.↗