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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Direct air capture of CO 2 – topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH 2 )(CO 3 )(H 2 O) 4

Chemical bonding and all intermolecular interactions in the highly insoluble carbonate salt of a 2,6-pyridine-bis(iminoguanidine), (PyBIGH 2 )(CO 3 )(H 2 O) 4 , recently employed in the direct air capture of CO 2 via crystallization, have been analyzed within the framework of the quantum theory of atoms in molecules (QTAIM) based on the experimental electron density derived from X-ray diffraction data obtained at 20 K. Accurate hydrogen positions were included based on an analogous neutron diffraction study at 100 K. Topological features of the covalent bonds demonstrate the presence of multiple bonds of various orders within the PyBIGH 2 2+ cation. Strong hydrogen bonds define ribbons comprising carbonate anions and water molecules. These ribbons are linked to stacks of essentially planar dications via hydrogen bonds from the guanidinium moieties and an additional one to the pyridine nitrogen. The linking hydrogen bonds are approximately perpendicular to the anion–water ribbons. The observation of these putative interactions provided motivation to characterize them by topological analysis of the total electron density. Thus, all hydrogen bonds have been characterized by the properties of their (3,−1) bond critical points. Weaker interactions between the PyBIGH 2 2+ cations have similarly been characterized. Integrated atomic charges are also reported. A small amount of cocrystallized hydroxide ion (∼2%) was also detected in both the X-ray and neutron data, and included in the multipole model for the electron-density refinement. The small amount of additional H + required for charge balance was not detected in either the X-ray or the neutron data. The results are discussed in the context of the unusually low aqueous solubility of (PyBIGH 2 )(CO 3 )(H 2 O) 4 and its ability to sequester atmospheric CO 2 .

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

Evolution of Tantalum Content During Vacuum Induction Melting and Electroslag Remelting of a Novel Martensitic Steel

The need for materials with superior thermal and mechanical properties while mitigating cost increases interest in new complex alloy compositions which brings challenges to manufacturing processes. In this investigation, vacuum induction melting (VIM) and electroslag remelting (ESR) of a novel tantalum (Ta)-containing martensitic steel was performed using standard industry practices at a laboratory scale. A 25 pct loss of Ta was measured from the VIM electrode to the ESR ingot using X-ray fluorescence. Several tools were used for broad characterization of the ingots, including LECO for chemistry analysis, scanning electron microscopy, and electron probe microanalysis for observation of the precipitate and inclusion phases post-VIM and post-ESR as well as computational modeling of the ESR process for the calculation of macrosegregation and inclusion travel. It was found that a significant amount of Ta{sub 2}O{sub 5} inclusions formed during VIM and were transferred to the slag during ESR. While ESR was particularly successful at decreasing the number density of inclusions by 95 pct, additional efforts are needed with regard to vacuum leak rate and purity of stock material when melting novel advanced steels.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Preliminary Examination of Returned Samples From Bennu Using Quantitative Particle Analysis in the Scanning Electron Microscope

The sample of regolith collected from asteroid Bennu by NASA’s OSIRIS-REx spacecraft will land in Utah on September 24, 2023. A 100-mg aliquot of fine Bennu dust adhering to the internal surfaces of the sample return capsule and associated hardware will be collected by curation staff during disassembly and analyzed immediately by members of the sample analysis team in a “Quick-Look” (Q-L) procedure. The Q-L objectives are (1) to provide images for release to the public to inform on the nature of the returned sample, and (2) to perform a reconnaissance investigation of the mineralogic characteristics of the returned material for science purposes. We will determine the minerals that occur in the dust, assess their diversity, and determine relative abundances at the >5% level using a combination of optical microscopy, Fourier-transform infrared spectroscopy, X-ray powder diffraction, and field-emission scanning electron microscopy (SEM). Here we describe the procedures and techniques developed for the Q-L analyses using analog samples analyzed by SEM equipped with energy dispersive X-ray spectroscopy (EDX). To test these techniques, we have applied them to several samples, including powders of the Murchison (Fig. 1) and Orgueil meteorites, as well as simulant samples prepared by the mission.

OSIRIS-REx↗
DOE OSTI2016

Isomorphism and solid solutions among Ag- and Au-selenides

Au-Ag selenides were synthesized by heating stoichiometric mixtures of elementary substances of initial compositions Ag{sub 2−x}Au{sub x}Se with a step of x=0.25 (0≤x≤2) to 1050 °C and annealing at 500 °C. Scanning electron microscopy, optical microscopy, electron microprobe analysis and X-ray powder diffraction methods have been applied to study synthesized samples. Results of studies of synthesized products revealed the existence of three solid solutions with limited isomorphism Ag↔Au: naumannite Ag{sub 2}Se – Ag{sub 1.94}Au{sub 0.06}Se, fischesserite Ag{sub 3}AuSe{sub 2} - Ag{sub 3.2}Au{sub 0.8}Se{sub 2} and gold selenide AuSe - Au{sub 0.94}Ag{sub 0.06}Se. Solid solutions and AgAuSe phases were added to the phase diagram of Ag-Au-Se system. Crystal-chemical interpretation of Ag-Au isomorphism in selenides was made on the basis of structural features of fischesserite, naumannite, and AuSe. - Highlights: • Au-Ag selenides were synthesized. • Limited Ag-Au isomorphism in the selenides is affected by structural features. • Some new phases were introduced to the phase diagram Ag-Au-Se.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Coronal electron stream and Langmuir wave detection inside a propagation channel at 4.3 AU

Observations of an energetic interplanetary electron event associated with the production of Langmuir waves, both of which are identified at 4.3 AU by instruments on the Ulysses spacecraft, are presented in this paper. This electron event propagates inside a well-defined magnetic structure. The existence of this structure is firmly established by joint particle and plasma observations made by Ulysses instruments. Its local estimated radial width is of the order of 2.3 x 10(exp 7) km (0.15 AU). The electron beam is associated with a type III burst observed from Earth at high frequencies and at low frequencies from Ulysses in association with Langmuir waves detected inside the structure. The consistency of local (Ulysses) and remote (Earth) observations in terms of temporal and geometrical considerations establishes that the structure is anchored in the solar corona near the solar active region responisble for the observed type III emission and gives an accurate determination of the injection time for the observed electron beam. Propagation analysis of the electron event is presented. In order to quantify the magnetic field properties, a variance analysis has been performed and is presented in this paper. The analysis establishes that inside the structure the amount of magnetic energy involved in the fluctuations is less than 4% of the total magnetic energy; the minimal variance direction is well defined and in coincidence with the direction of the mean magnetic field. This configuration may produce conditions favorable for scatter free streaming of energetic electrons and/or Langmuir wave production. The results presented show that the magnetic field might play a role in stabilizing the coronal-origin plasma structures and then preserving them to large, approximately 4 AU, distances in the heliosphere.

Buttighoffer, A.↗
DOE OSTI2018

Fabrication and physicochemical characterization of graphene oxide derived from thermally expanded graphite

Graphene oxide was obtained from expanded graphite according to the modified Hummers method. The reaction time was significantly reduced (from 24 to 8 h) by applying the expanded graphite in the oxidation process. The interlayer distance in obtained samples was equal to 0.70–0.74 nm. Structural features of the material were studied by the powder X-ray diffraction, thermogravimetric analysis, scanning electron microscopy, transmission electron microscopy, XPS spectroscopy, and NMR spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Leveraging Electron Transfer Dissociation for Site Selective Radical Generation: Applications for Peptide Epimer Analysis

Traditional electron-transfer dissociation (ETD) experiments operate through a complex combination of hydrogen abundant and hydrogen deficient fragmentation pathways, yielding c and z ions, side-chain losses, and disulfide bond scission. Herein, a novel dissociation pathway is reported, yielding homolytic cleavage of carbon–iodine bonds via electronic excitation. This observation is very similar to photodissociation experiments where homolytic cleavage of carbon–iodine bonds has been utilized previously, but ETD activation can be performed without addition of a laser to the mass spectrometer. Both loss of iodine and loss of hydrogen iodide are observed, with the abundance of the latter product being greatly enhanced for some peptides after additional collisional activation. These observations suggest a novel ETD fragmentation pathway involving temporary storage of the electron in a charge-reduced arginine side chain. Subsequent collisional activation of the peptide radical produced by loss of HI yields spectra dominated by radical-directed dissociation, which can be usefully employed for identification of peptide isomers, including epimers. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Electron spectroscopy for chemical analysis: Sample analysis

Exposure conditions in atomic oxygen (ESCA) was performed on an SSL-100/206 Small Spot Spectrometer. All data were taken with the use of a low voltage electron flood gun and a charge neutralization screen to minimize charging effects on the data. The X-ray spot size and electron flood gun voltage used are recorded on the individual spectra as are the instrumental resolutions. Two types of spectra were obtained for each specimen: (1) general surveys, and (2) high resolution spectra. The two types of data reduction performed are: (1) semiquantitative compositional analysis, and (2) peak fitting. The materials analyzed are: (1) kapton 4, 5, and 6, (2) HDPE 19, 20, and 21, and (3) PVDF 4, 5, and 6.

Carter, W. B.↗
DOE OSTI2018

Mechanical Behavior of Commercially Pure Titanium Weldments at Lower Temperatures

Commercially pure titanium is used for low-temperature applications due to good toughness attributed to single-phase microstructure (α). Electron beam welding (EBW) and gas tungsten arc welding (GTAW) processes have been used for welding two grades of commercially pure titanium (Grade 2 and Grade 4). Martensitic microstructure is found to be finer in the case of EBW joint as compared to GTAW joint due to faster rate of cooling in the former process. Weldments have been characterized to study the mechanical behavior at ambient (298 K) and cryogenic temperatures (20 and 77 K). Strength of weldments increases with the decrease in temperature, which is found to be more prominent in case of Grade 4 titanium as compared to Grade 2. Weld efficiency of Grade 4 is found to be higher at all the temperatures (ambient, 77 and 20 K). However, ultimate tensile strength/yield strength ratio is higher for Grade 2 as compared to Grade 4. % Elongation is found to increase/retained at cryogenic temperatures for Grade 2, and it is found to decrease for Grade 4. Electron backscattered diffraction analysis and transmission electron microscopy of deformed samples confirmed the presence of extensive twinning in Grade 2 and the presence of finer martensitic structure in Grade 4. Fractography analysis of tested specimens revealed the presence of cleavage facets in Grade 4 and dimples in specimens of Grade 2. Higher strength in Grade 4 is attributed to higher oxygen restricting the twin-assisted slip, which is otherwise prominent in Grade 2 titanium.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analysis of multi-electron, multi-step homogeneous catalysis by rotating disc electrode voltammetry: theory, application, and obstacles

Rotating disc electrode (RDE) voltammetry has been widely adopted for the study of heterogenized molecular electrocatalysts for multi-step fuel-forming reactions but this tool has never been comprehensively applied to their homogeneous analogues. Here, the utility and limitations of RDE techniques for mechanistic and kinetic analysis of homogeneous molecular catalysts that mediate multi-electron, multi-substrate redox transformations are explored. Using the ECEC' reaction mechanism as a case study, two theoretical models are derived based on the Nernst diffusion layer model and the Hale transformation. Current–potential curves generated by these computational strategies are compared under a variety of limiting conditions to identify conditions under which the more minimalist Nernst Diffusion Layer approach can be applied. Based on this theoretical treatment, strategies for extracting kinetic information from the plateau current and the foot of the catalytic wave are derived. RDEV is applied to a cobaloxime hydrogen evolution reaction (HER) catalyst under non-aqueous conditions in order to experimentally validate this theoretical framework and explore the feasibility of RDE as a tool for studying homogeneous catalysts. Importantly, analysis of the foot-of-the-wave via this theoretical framework provides rate constants for elementary reaction steps that agree with those extracted from stationary voltammetric methods, supporting the application of RDE to study homogeneous fuel-forming catalysts. Lastly, obstacles encountered during the kinetic analysis of cobaloxime, along with the voltammetric signatures used to diagnose this reactivity, are discussed with the goal of guiding groups working to improve RDE set-ups and help researchers avoid misinterpretation of RDE data.

08 HYDROGEN↗
NASA NTRS1983

An analysis of the asymmetric part of electron-electron Boltzmann integral

A numerical analysis of the asymmetric part of electon-electron collision integral is presented. The results are given in the form of graphs for two commonly considered plasma situations: the collision-dominated case (symmetric part of electron disribution is Maxwellian) and the field-dominated case (symmetric part of electron distribution is Druyvesteynian). The importance of the asymmetric part of e-e collision integral in the Boltzmann equation is also discussed.

Kunc, J. A.↗
NASA NTRS1999

Electron Microscopy and Image Analysis for Selected Materials

This particular project was completed in collaboration with the metallurgical diagnostics facility. The objective of this research had four major components. First, we required training in the operation of the environmental scanning electron microscope (ESEM) for imaging of selected materials including biological specimens. The types of materials range from cyanobacteria and diatoms to cloth, metals, sand, composites and other materials. Second, to obtain training in surface elemental analysis technology using energy dispersive x-ray (EDX) analysis, and in the preparation of x-ray maps of these same materials. Third, to provide training for the staff of the metallurgical diagnostics and failure analysis team in the area of image processing and image analysis technology using NIH Image software. Finally, we were to assist in the sample preparation, observing, imaging, and elemental analysis for Mr. Richard Hoover, one of NASA MSFC's solar physicists and Marshall's principal scientist for the agency-wide virtual Astrobiology Institute. These materials have been collected from various places around the world including the Fox Tunnel in Alaska, Siberia, Antarctica, ice core samples from near Lake Vostoc, thermal vents in the ocean floor, hot springs and many others. We were successful in our efforts to obtain high quality, high resolution images of various materials including selected biological ones. Surface analyses (EDX) and x-ray maps were easily prepared with this technology. We also discovered and used some applications for NIH Image software in the metallurgical diagnostics facility.

Williams, George↗
DOE OSTI2018

Stimulated Emission and Optical Properties of Solid Solutions of Cu(In,Ga)Se{sub 2} Direct Band Gap Semiconductors

Stimulated emission, optical properties, and structural characteristics of non-irradiated and proton-irradiated Cu(In,Ga)Se{sub 2} thin films deposited on soda lime glass substrates using co-evaporation of elements in a multistage process were investigated. X-ray diffraction analysis, scanning electron microscopy, X-ray spectral analysis with energy dispersion, low-temperature photoluminescence, optical transmittance and reflectance were used to study the films. Stimulated emission at low temperatures of ~20 K was found in non-irradiated and proton-irradiated Cu(In,Ga)Se{sub 2} thin films upon excitation by laser pulses of nanosecond duration with a threshold power density of ~20 kW/cm{sup 2}. It was shown that the appearance and parameters of the stimulated emission depend strongly on the concentration of ion-induced defects in Cu(In,Ga)Se{sub 2} thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Texture Evolution in an Al-Cu-Mg Alloy During Hot Rolling

The texture evolution in the intermediate (the 1/4 thickness) layer of hot-rolled Al-Cu-Mg alloy sheets was investigated by the x-ray diffraction technique, electron backscattered diffraction analysis and transmission electron microscopy observation. The results showed that a texture transition from the shear texture {001}<110> to the β-fiber textures occurred as the rolling temperature increased to 420 °C. The shear strain caused by friction resulted in this strong shear texture formation at the low rolling temperature. As the rolling temperature increased, the plane strain substituting the shear strain dominated in the intermediate layer, giving rise to a significant increase in the β-fiber textures. Increasing the rolling temperature was found to preferentially activate the non-octahedral {112}<110> slip system, thereby benefiting the development of strong Brass. At the low rolling reduction of 74%, the textures with low intensity tended to converge on the α-fiber, containing Goss, Brass, P and L components. As the rolling reduction increased to 90%, the textures were strengthened and gradually flew toward the β-fiber, containing Brass, Copper and S components. The S and Copper bands were found to be the preferential sites for the development of recrystallizing Cube grains during hot rolling.

36 MATERIALS SCIENCE↗