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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 91 records · Page 5
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DOE OSTI2019

Diagnosis of Factors Impacting Yield in Multilayer Devices for Superconducting Electronics

The ability to localize defects in order to understand failure mechanisms in complex superconducting electronics circuits, while operating at low temperature, does not yet exist. Here, this work applies thermally-induced voltage alteration (TIVA), to a biased superconducting electronics (SCE) circuit at ambient temperature. TIVA is a commonly used, laser-based failure analysis technique developed for silicon-based microelectronics. The non-operational circuit consisted of an arithmetic logic unit (ALU) in a high-frequency test bed designed at HYPRES and fabricated by MIT Lincoln Laboratory using their SFQ5ee process. Localized TIVA signals were correlated with reflected light images at the surface, and these sites were further investigated by scanning electron microscopy imaging of focused ion-beam cross-sections. The areas investigated, where prominent TIVA signals were observed, showed seams in the Nb wiring layers at contacts to Josephson junctions or inductors and/or disrupted junction morphologies. Finally, these results suggest that the TIVA technique can be used at ambient temperature to diagnose fabrication defects that may cause low temperature circuit failure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MassIVE MSV000085948 - Utilization of syringyl lignin-derived compounds and production of 2-pyrone-4,6-dicarboxylic acid by Pseudomonas putida KT2440: Lignin is an abundant aromatic polymer formed in plants by coupling reactions of p-coumaryl, coniferyl, and sinapyl alcohols. Pseudomonas putida KT2440 (P. putida KT2440), a robust soil bacterium, naturally catabolizes many aromatic compounds derived from lignin as carbon and energy sources and has been extensively engineered to valorize guaiacyl (G) and p-hydroxyphenyl (H) lignin-derived aromatic species to valuable chemicals. However, only a few studies report the capacity of Pseudomonads to grow on syringyl (S) lignin-derived compounds. In this work, we demonstrate that P. putida KT2440 catabolizes syringate in the presence of an auxiliary energy source. Overexpression of vanAB, encoding a native Rieske non-heme iron monooxygenase, enabled catabolism of syringate and syringaldehyde without an additional carbon and energy source. In vitro biochemical characterization of VanAB confirmed that this enzyme O-demethylates syringate to 3-O-methylgallate and, subsequently, 3-O-methylgallate to gallate, albeit 4- and 55-fold less efficiently than vanillate, respectively. Transcriptomics and proteomics experiments demonstrate that the galADBC transcripts and enzymes required for gallate catabolism are induced when vanAB is overexpressed during cultivation in syringate. Further, we show that that the endogenous protocatechuate-3,4-dioxygenase PcaHG ring-opens gallate to produce 2-pyrone-4,6-dicarboxylic acid (PDC), a promising bio-based chemical. Constitutive overexpression of vanAB and pcaHG along with galA deletion enabled PDC production from SA at a 70% (mol/mol) yield. Furthermore, leveraging the LigAB dioxygenase from Sphingobium sp. SYK-6 and VanAB O-demethylase from Pseudomonas sp. HR199 enabled simultaneous conversion of monomers with S-, G-, and H-type functionality to PDC at 82% (mol/mol) yield. Overall, this study elucidates a native pathway for catabolism of syringyl lignin-derived compounds in P. putida KT2440 and demonstrates the potential of this robust host for biological funneling of substrates derived from all three canonical monolignols.

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Beckham, Gregg↗
NASA NTRS1976

Rates of reactions ClO + ClO yields Cl2 + O2 and ClO + O yields Cl + O2 at elevated temperatures

Results are reported for an experiment in which a shock tube was employed to measure the reaction rates of chlorine-oxygen systems at high temperatures. In this experiment, a mixture of chlorine and ozone, diluted by oxygen and argon, was heated by two consecutive shock waves (primary and reflected) to produce a temperature in the range from 1000 to 1400 K and a pressure of between 3.5 and 9 atm. The reflected shock thermally decomposed the ozone; the resulting atomic oxygen reacted with molecular chlorine to produce ClO; and the variation in ClO concentration after passage of the reflected shock was observed by monitoring the intensity of 2537-A radiation passing through the test gas. The rates of the two cited reactions are deduced from the variation pattern. The rate coefficient values are found to be compatible with existing data obtained in lower pressure and temperature ranges.

Park, C.↗
NASA NTRS1986

Calculated potential surfaces for the reactions: O + N2 yields NO + N and N + O2 yields NO + O

Complete Active Space SCF/Contracted CI (CASSCF/CCI) calculations, using large Gaussian basis sets, are presented for selected portions of the potential surfaces for the reactions in the Zeldovich mechanism for the conversion of N2 to NO. The N + O2 reaction is exoergic by 32 kcal/mole and is computed to have an early barrier of 10.2 kcal/mole for the (sup 2)A(sup prime) surface and 18.0 kcal/mole for the (sup 4)A(sup prime) surface. The O + N2 reaction is endoergic by 75 kcal/mole. The (sup 3)A(sup double prime) surface is calculated to have a late barrier of 0.5 kcal/mole, while the (sup 3)A(sup prime) surface is calculated to have a late barrier of 14.4 kcal/mole.

Walch, Stephen P.↗
NASA NTRS1989

Theoretical characterization of the potential energy surface for H + O2 yields HO2(asterisk) yields HO + O. II - The potential for H atom exchange in HO2

The results of CASSCF multireference contracted CI calculations with large ANO basis sets are presented for the exchange region of the HO2 potential-energy surface. The saddle point for H atom exchange is about 13 kcal/mol below the energy of H + O2; therefore, this region of the surface should be accessible during H + O2 recombination and methathesis reactions.

Walch, Stephen P.↗
NASA NTRS1993

Theoretical characterization of the reaction CH3 + OH yields CH3OH yields products - The (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO channels

The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product channels using complete-active-space self-consistent-field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration-interaction (CCI) calculations to refine the energetics. The (1)CH2 + H2O channel is found to have no barrier. The long range interaction is dominated by the dipole-dipole term, which orients the respective dipole moments parallel to each other but pointing in opposite directions. At shorter separations there is a dative bond structure in which a water lone pair donates into the empty 'a' orbital of CH2. Subsequent insertion of CH2 into an OH bond of water have barriers located at -5.2 kcal/mol and 1.7 kcal/mol, respectively, with respect to CH3 + OH. From comparison of the computed energetics of the reactants and products to known thermochemical data it is estimated that the computed PES is accurate to plus or minus 2 kcal/mol.

Walch, Stephen P.↗
NASA NTRS1994

A comparison of CO(J = 1 yields 0) and CO(J = 2 yields 1) emission in the Milky Way molecular ring

We have carried out a CO (J = 2 right arrow 1) survey of the Scutum Arm region of the Milky Way molecular ring. Our goals are to compare CO (J = 2 right arrow 1) maps of individual Galactic clouds with the large-scale CO (J = 2 right arrow 1) emission from the Galactic plane, and to predict the CO (J = 2 right arrow 1) appearance of a Galactic cloud ensemble in an external galaxy. The angular resolution and spatial coverage of our survey are compatible with the existing CO (J = 1 right arrow 0) survey of this region by Sanders et al., which we use for comparison. We identify 34 molecular clouds in our map region; their relationships between size and line width and between virial mass and luminosity are consistent with the relationships seen in CO (J = 1 right arrow 0) emission. However, we note that previous studies have shown considerable variation in these relationships; we attribute much of this variation to differences in their cloud definition algorithm and statistical method. We find that the median ratio of integrated emission in the two lowest CO transitions for the clouds in our sample is I(2 right arrow 1)/ I(1 right arrow 0) = 0.69, implying that the typical emitting region in the line of sight contains cold gas that is not actively star-forming. Our conclusion that the molecular ring emission is not dominated by star-forming regions is consistent with other large-scale studies of the Milky Way. Our distributions of cloud size and temperature also imply that relatively massive molecular clouds that lac k star formation, such as Maddalena's cloud, are not rare in the inner Galaxy.

Chiar, Jean E.↗