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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

Initial CRADA Abstract MSTS-2023-01U-JWS01

Abstract for Joint Work Statement MSTS-2023-01U-JWS-01 to investigate creation of synthetic melt glass for nuclear attribution. Work is to be completed under approved CRADA MSTS-2023-01U with UNLV.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

CRADA Abstract - 2025-03M

CRADA abstract for publication as required by DOE O 483.1B

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydrogen-Abstraction/Acetylene-Addition Exposed

Polycyclic aromatic hydrocarbons (PAHs) are omnipresent in the interstellar medium (ISM) and also in carbonaceous meteorites (CM) such as Murchison. However, the basic reaction routes leading to the formation of even the simplest PAH—naphthalene (C 10 H 8 )—via the hydrogen-abstraction/acetylene-addition (HACA) mechanism still remain ambiguous. Here, by revealing the uncharted fundamental chemistry of the styrenyl (C 8 H 7 ) and the ortho-vinylphenyl radicals (C 8 H 7 )—key transient species of the HACA mechanism—with acetylene (C 2 H 2 ), we provide the first solid experimental evidence on the facile formation of naphthalene in a simulated combustion environment validating the previously postulated HACA mechanism for these two radicals. Lastly, this study highlights, at the molecular level spanning combustion and astrochemistry, the importance of the HACA mechanism to the formation of the prototype PAH naphthalene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Catalytic Ammonia Oxidation to Dinitrogen by Hydrogen Atom Abstraction

Catalysts for the oxidation of NH 3 will be critical to utilize NH 3 as a large-scale energy carrier. Molecular complexes have not been shown to catalyze the oxidation of NH 3 to N 2 . We report Ru- catalyzed oxidation of ammonia to dinitrogen under ambient conditions using the molecular complex [Cp*Ru(P t Bu 2 N Ph 2 )( 15 NH 3 )][BAr F 4 ]. Mediating the cleavage of six N-H bonds and the formation of an N≡N bond was achieved by coupling H + and e - transfers as net hydrogen atom abstraction steps using the 2,4,6-tri- t ert-butylphenoxyl radical ( t Bu 3 ArO•) as the H atom acceptor. Employing an excess of t Bu 3 ArO• under 1 atm of NH 3 gas at 23 °C resulted in up to six turnovers. As a result, nitrogen isotopic ( 15 N) labeling studies provide mechanistic insights to confirm the N≡N bond forming step in the catalytic cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Heterogeneous Palladium Catalyst for the Polymerization of Olefins Prepared by Halide Abstraction Using Surface R 3 Si + Species

The silylium-like surface species [ i Pr 3 Si][(R F O) 3 Al-OSi≡)] activates (N^N)Pd(CH 3 )Cl (N^N=Ar-N=CMeMeC=N-Ar, Ar=2,6-bis(diphenylmethyl)-4-methylbenzene) by chloride ion abstraction to form [(N^N)Pd-CH 3 ][(R F O) 3 Al-OSi≡)] ( 1 ). A combination of FTIR, solid-state NMR spectroscopy, and reactions with CO or vinyl chloride establish that 1 shows similar reactivity patterns as (N^N)Pd(CH 3 )Cl activated with Na[B(Ar F ) 4 ]. Multinuclear 13 C{ 27 Al} RESPDOR and 1 H{ 19 F} S-REDOR experiments are consistent with a weakly coordinated ion-pair between (N^N)Pd-CH 3 + and [(R F O) 3 Al-OSi≡)]. 1 catalyzes the polymerization of ethylene with similar activities as [(N^N)Pd-CH 3 ] + in solution and incorporates up to 0.4% methyl acrylate in copolymerization reactions. 1 produces polymers with significantly higher molecular weight than the solution catalyst, and generates the highest molecular weight polymers currently reported in copolymerization reactions of ethylene and methylacrylate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Cameron-Storvick Theorem for Analytic Feynman Integrals on Product Abstract Wiener Space and Applications

In this paper we derive a Cameron-Storvick theorem for the analytic Feynman integral of functionals on product abstract Wiener space B{sup 2}. We then apply our result to obtain an evaluation formula for the analytic Feynman integral of unbounded functionals on B{sup 2}. We also present meaningful examples involving functionals which arise naturally in quantum mechanics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On implicit abstract neutral nonlinear differential equations

In this paper we continue our developments in Hernández and O’Regan (J Funct Anal 261:3457–3481, 2011) on the existence of solutions for abstract neutral differential equations. In particular we extend the results in Hernández and O’Regan (J Funct Anal 261:3457–3481, 2011) for the case of implicit nonlinear neutral equations and we focus on applications to partial “nonlinear” neutral differential equations. Some applications involving partial neutral differential equations are presented.

97 MATHEMATICS AND COMPUTING↗

Modeling groundwater/surface-water interactions in an Alpine valley (the Aosta Plain, NW Italy): the effect of groundwater abstraction on surface-water resources

A groundwater flow model of the Alpine valley aquifer in the Aosta Plain (NW Italy) showed that well pumping can induce river streamflow depletions as a function of well location. Analysis of the water budget showed that ∼80% of the water pumped during 2 years by a selected well in the downstream area comes from the baseflow of the main river discharge. Alluvial aquifers hosted in Alpine valleys fall within a particular hydrogeological context where groundwater/surface-water relationships change from upstream to downstream as well as seasonally. A transient groundwater model using MODFLOW2005 and the Streamflow-Routing (SFR2) Package is here presented, aimed at investigating water exchanges between the main regional river (Dora Baltea River, a left-hand tributary of the Po River), its tributaries and the underlying shallow aquifer, which is affected by seasonal oscillations. The three-dimensional distribution of the hydraulic conductivity of the aquifer was obtained by means of a specific coding system within the database TANGRAM. Both head and flux targets were used to perform the model calibration using PEST. Results showed that the fluctuations of the water table play an important role in groundwater/surface-water interconnections. In upstream areas, groundwater is recharged by water leaking through the riverbed and the well abstraction component of the water budget changes as a function of the hydraulic conditions of the aquifer. In downstream areas, groundwater is drained by the river and most of the water pumped by wells comes from the base flow component of the river discharge.

58 GEOSCIENCES↗