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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mechanistic Investigation of Redox Processes in Zn-MnO2 battery in Mild Aqueous Electrolytes

Zinc-MnO2 based batteries have acquired attention for grid-level applications, due to impressive theoretical performance, cost effectiveness and intrinsic safety. However, there are still many challenges that remain elusive due to the complex and controversial mechanisms of operation that hinders commercialization. In this work, the detailed redox processes that occur at the cathode during Zn-MnO2 battery operation are elucidated. Using a blend of structural and electrochemical techniques, the redox pairs that occur during operation are mechanistically studied while also showcasing the true impact of the electrolyte additive (0.1 M MnSO4) in a 1 M ZnSO4 electrolyte. An electrochemical quartz-crystal microbalance (EQCM) has been leveraged to reveal the effect of zinc hydroxy sulfate salt (Zn4SO4(OH)6·nH2O) and zinc manganese oxide (ZnxMnyOz) dissolution/deposition, which are believed to be major components during discharge and charge conditions. . These results provide insight not currently available, allowing a holistic view of the electrochemical reaction mechanisms during battery operation.

Rodriguez Perez, Ismael A.↗
DOE OSTI2014

A water-processable organic electron-selective layer for solution-processed inverted organic solar cells

A triazine- and pyridinium-containing water-soluble material of 1,1′,1″-(4,4′,4″-(1,3,5-triazine-2,4,6-triyl)tris(benzene-4,1-diyl)) tris(methylene)tripyridinium bromide (TzPyBr) was developed as an organic electron-selective layer in solution-processed inverted organic solar cells due to its strong anti-erosion capacity against non-polar organic solvents commonly used for the active layer. Ohmic-like contact with the adjacent active materials like fullerene derivatives is speculated to be formed, as confirmed by the work-function measurements with scanning Kelvin probe and ultraviolet photoelectron spectroscopy techniques. Besides, considering the deep highest occupied molecular orbital energy level of TzPyBr, excellent hole-blocking property of the electron-selective layer is also anticipated. The inverted organic photovoltaic devices based on the TzPyBr/ITO (indium tin oxide) bilayer cathode exhibit dramatically enhanced performance compared to the control devices with bare ITO as the cathode and even higher efficiency than the conventional type devices with ITO and Al as the electrodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Analytical solutions of the planar cyclic voltammetry process for two soluble species with equal diffusivities and fast electron transfer using the method of eigenfunction expansions

Cyclic voltammetry is a powerful tool that is used for characterizing electrochemical processes. Models of cyclic voltammetry take into account the mass transport of species and the kinetics at the electrode surface. Analytical solutions of these models are not well-known due to the complexity of the boundary conditions. In this study we present closed form analytical solutions of the planar voltammetry model for two soluble species with fast electron transfer and equal diffusivities using the eigenfunction expansion method. Our solution methodology does not incorporate Laplace transforms and yields good agreement with the numerical solution. This solution method can be extended to cases that are more general and may be useful for benchmarking purposes.

36 MATERIALS SCIENCE↗
DOE OSTI2015

An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units

We recently presented an algorithm for state-averaged complete active space self-consistent field (SA-CASSCF) orbital optimization that capitalizes on sparsity in the atomic orbital basis set to reduce the scaling of computational effort with respect to molecular size. Here, we extend those algorithms to calculate the analytic gradient and nonadiabatic coupling vectors for SA-CASSCF. Combining the low computational scaling with acceleration from graphical processing units allows us to perform SA-CASSCF geometry optimizations for molecules with more than 1000 atoms. The new approach will make minimal energy conical intersection searches and nonadiabatic dynamics routine for molecular systems with O(10{sup 2}) atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Influence of an electric field on near-surface processes in laser processing of metals

It is shown that by varying the external electric field with different polarity from 0 to 10{sup 6} V m{sup -1} in the course of laser processing with the mean radiation flux density {approx}10{sup 6} W cm{sup -2} the change in the evolution features of the plasma torch at the surface of some metals (Cu, Al, Sn, Pb) at early stages is quantitative rather than qualitative. At the same time the characteristic size of the target material droplets, carried out from the irradiated zone, becomes essentially (by several times) smaller as the amplitude of the external electric field strength grows, independently of its polarity. (laser technologies)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A fully coupled thermal–microstructural–mechanical finite element process model for directed energy deposition additive manufacturing of Ti–6Al–4V

A fully coupled thermal–microstructural–mechanical finite element modelling framework is developed to investigate the distortion and residual stresses during directed energy deposition (DED) of multi-phase Ti–6Al–4V alloy. The Johnson–Cook constitutive model is used to predict the yield strength of each phase as a function of strain, strain rate and temperature where the flow stress is calculated by a linear mixing rule based on the volumetric phase fractions. A thin-walled rectangular sample is chosen as the reference geometry and the results are compared with experimentally measured in situ thermal history and distortion data, where a reasonable agreement is achieved. The proposed modelling framework with physics-based material constitutive model provides useful information for a better understanding of process–microstructure–property relations in additive manufacturing by DED.

Tunay, Merve↗
DOE OSTI2012

Search for Lepton-Number Violating Processes in B+ to h- l+ l+ Decays

We have searched for the lepton-number violating processes B{sup +} {yields} h{sup -}{ell}{sup +}{ell}{sup +} with h{sup -} = K{sup -}/{pi}{sup -} and {ell}{sup +} = e{sup +}/{mu}{sup +}, using a sample of 471 {+-} 3 million B{bar B} events collected with the BABAR detector at the PEP-II e{sup +}e{sup -} collider at the SLAC National Accelerator Laboratory. We find no evidence for these decays and place 90% confidence level upper limits on their branching fractions B (B{sup +} {yields} {pi}{sup -}e{sup +}e{sup +}) < 2.3 x 10{sup -8}, {Beta}(B{sup +} {yields} K{sup -}e{sup +}e{sup +}) < 3.0 x 10{sup -8}, {Beta}(B{sup +} {yields} {pi}{sup -}{mu}{sup +}{mu}{sup +}) < 10.7 x 10{sup -8}, and {Beta}(B{sup +} {yields} K{sup -}{mu}{sup +}{mu}{sup +}) < 6.7 x 10{sup -8}.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Measurement of initial-state–final-state radiation interference in the processes e + e – → μ + μ – γ and e + e – → π + π – γ [Measurement of ISR-FSR interference in the processes e + e – → μ + μ – γ and e + e – → π + π – γ ]

Charge asymmetry in the processes e + e – → μ + μ – γ and e + e – → π + π – γ is measured using 232 fb –1 of data collected with the BABAR detector at e + e – center-of-mass energies near 10.58 GeV. An observable is introduced and shown to be very robust against detector asymmetries while keeping a large sensitivity to the physical charge asymmetry that results from the interference between initial- and final-state radiation (FSR). The asymmetry is determined as a function of the invariant mass of the final-state tracks from production threshold to a few GeV/c 2 . It is compared to the expectation from QED for e + e – → μ + μ – γ, and from theoretical models for e + e – → π + π – γ. A clear interference pattern is observed in e + e – → π + π – γ, particularly in the vicinity of the f 2 (1270) resonance. As a result, the inferred rate of lowest-order FSR production is consistent with the QED expectation for e + e – → μ + μ – γ, and is negligibly small for e + e – → π + π – γ.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Shock compaction heating and collisional processes in the production of type 3 ordinary chondrites: Lessons from the (nearly) unique L3 chondrite melt breccia Northwest Africa 8709

Abstract Northwest Africa (NWA) 8709 is a rare example of a type 3 ordinary chondrite melt breccia and provides critical information for the shock compaction histories of chondrites. An L3 protolith for NWA 8709 is inferred on the basis of oxygen isotope composition, elemental composition, diverse mineral chemistry, and overall texture. NWA 8709 is among the most strongly shocked type 3 chondrites known, and experienced complete melting of the matrix and partial melting of chondrules. Unmelted phases underwent FeO reduction and partial homogenization, with reduction possibly occurring by reaction of olivine and low‐Ca pyroxene with an S‐bearing gas that was produced by vaporization. Chondrules and metal grains became foliated by uniaxial compaction, and during compression, chondrules and fragments became attached to form larger clumps. This process, and possibly also melt incorporation into chondrules to cause “inflation,” may have contributed to anomalously large chondrule sizes in NWA 8709. The melt breccia character is attributed to strong shock affecting a porous precursor. Data‐model comparisons suggest that a precursor with 23% porosity that was impacted by a 3 km/s projectile could have produced the meteorite. The rarity of other type 3 ordinary chondrite melt breccias implies that the immediate precursors to such chondrites were lower in porosity than the NWA 8709 precursor, or experienced weaker shocks. Altogether, the data imply a predominantly “quiet” dynamical environment to form most type 3 ordinary chondrites, with compaction occurring in a series of relatively weak shock events.

Ruzicka, Alex M.↗