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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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Revealing multiple strengthening transitions in crystalline-amorphous nanolaminates through molecular dynamics
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A feature point identification method for positron emission particle tracking with multiple tracers
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Search for new phenomena in final states with large jet multiplicities and missing transverse momentum with ATLAS using s = 13 TeV proton–proton collisions
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Correlated long-range mixed-harmonic fluctuations measured in pp, p+Pb and low-multiplicity Pb+Pb collisions with the ATLAS detector
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Multiple drivers of seasonal change in PRI: Implications for photosynthesis 1. Leaf level
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Multiple drivers of seasonal change in PRI: Implications for photosynthesis 2. Stand level
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Multiple mechanisms determine the effect of warming on plant litter decomposition in a dryland
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Simulation of thermal hydraulic performance of multiple parallel micropin arrays for concentrating solar thermal applications with supercritical carbon dioxide
Concentrated solar power (CSP) plants have the potential to provide 24 h, renewable electricity. Current CSP systems have high capital and operational costs which makes the levelized cost of electricity uncompetitive with conventional techniques. Recent experimental research has shown the potential of small unit cells (up to 2 × 2 cm) containing micropin arrays (D H < 1 mm) to operate efficiently at high incident flux (>140 W cm -2 ) using supercritical carbon dioxide as the working fluid. Applying this technology to CSP systems would result in a smaller central receiver, which would reduce thermal losses, increase receiver efficiency and reduce the capital cost of the receiver component. This study investigates and addresses the practical thermal and hydraulic issues in numbering up these small unit cells into numerous parallel cells within an integrated module design. A thermal hydraulic network model is developed to quantify the distribution and the overall receiver efficiency of an integrated module. This model is used to specify maximum allowable unit cell size and header dimensions to maintain acceptable thermal performance and pressure loss. Once a module design was finalized, parametric studies were performed to study the effects of varying incident flux on flow distribution and thermal performance of the module. Finally, the results show that an integrated module design can be achieved with less than 5% flow maldistribution and a pressure drop acceptable to the remainder of the system.
Hybrid Methods Reveal Multiple Flexibly Linked DNA Polymerases within the Bacteriophage T7 Replisome
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Multiple-channel ultra-violet absorbance detector for two-dimensional chromatographic separations
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Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO 4 over Multiple Lithium Intercalation
ε -Li x VOPO 4 is a promising multi-electron cathode for rechargeable lithium-ion bat- teries that has an extremely high theoretical capacity of 318 mAh/g. In this w ork, we demonstrate the stable cycling of more than one Li in solid-state-syn thesized ε - LiVOPO 4 over more than 20 cycles for the first time. Using a combination of densit y functional theory (DFT) calculations, X-ray pair distribution funct ion (PDF) analy- sis and X-ray Absorption Near Edge Structure (XANES) measurements, we pre sent a comprehensive analysis of the thermodynamics, kinetics and stru ctural evolution of ε -Li x VOPO 4 over the entire lithiation range. We identify two intermediate ph ases at x = 1 . 5 and 1.75 in the low-voltage regime using DFT calculations, and the comput ed and electrochemically measured voltage profiles are in excellent agree ment. Operando PDF techniques show a reversible hysteretic change in the short ( < 2° A) V-O bond lengths coupled with an irreversible extension of the long V-O bond ( > 2.4 °A) dur- ing low-voltage cycling. These observations are confirmed with EXAFS spe ctra. We identify hydrogen intercalation from the electrolyte decomposition as a likely explana- tion for the ~ 2 . 4°A V-O bond and its irreversible extension. In terms of electronic conductivity, we find Li x VOPO 4 to be a large band gap insulator across the entire lithiation range, and calculated small polaron migration barriers are similar to those of the olivine LiMPO 4 cathodes. Finally, we demonstrate that ε -LiVOPO 4 is likely to be a one-dimensional diffuser using climbing-image nudged elastic ban d calculations. These results highlight the importance of nano-sizing and carbon coating in achieving good electrochemical performance in this material.
Effect of Multiple Cation Electrolyte Mixtures on Rechargeable Zn–MnO 2 Alkaline Battery
A Bi 2 O 3 in β-MnO 2 composite cathode material has been synthesized using a simple hydrothermal method and cycled in a mixed KOH–LiOH electrolyte with a range of concentrations. We show that, at a KOH:LiOH molar ratio of 1:3, both proton insertion and lithium insertion occur, allowing access to a higher fraction of the theoretical capacity of the MnO 2 while preventing the formation of ZnMn 2 O 4 . This enables a capacity of 360 mAh/g for over 60 cycles, with cycling limited more by anode properties than traditional cathodic failure mechanisms. The structural changes occurring during cycling are characterized using electron microscopy and in situ synchrotron energy-dispersive X-ray diffraction (EDXRD) techniques. This mixed electrolyte shows exceptional cyclability and capacity and can be used as a drop-in replacement for current alkaline batteries, potentially drastically improving their cycle life and creating a wide range of new applications for this energy storage technology.
Nonadiabatic Derivative Couplings through Multiple Franck–Condon Modes Dictate the Energy Gap Law for Near and Short-Wave Infrared Dye Molecules
Near infrared (NIR, 700–1000 nm) and short-wave infrared (SWIR, 1000–2000 nm) dye molecules exhibit significant nonradiative decay rates from the first singlet excited state to the ground state. While these trends can be empirically explained by a simple energy gap law, detailed mechanisms of nearly universal behavior have remained unsettled for many cases. Theoretical and experimental results for two representative NIR/SWIR dye molecules reported here clarify the key mechanism for the observed energy gap law behavior. It is shown that the first derivative nonadiabatic coupling terms serve as major coupling pathways for nonadiabatic decay processes from the first excited singlet state to the ground state for these NIR and SWIR dye molecules and that vibrational modes other than the highest frequency modes also make significant contributions to the rate. Finally, this assessment is corroborated by further theoretical comparison with possible alternative mechanisms of intersystem crossing to triplet states and also by comparison with experimental data for deuterated molecules.
Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal–Organic Frameworks
Purification of the C 8 alkylaromatics o-xylene, m-xylene, p-xylene, and ethylbenzene remains among the most challenging industrial separations, due to the similar shapes, boiling points, and polarities of these molecules. We report the evaluation of the metal-organic frameworks Co 2 (dobdc) (dobdc 4- = 2,5-dioxido-1,4-benzenedicarboxylate) and Co 2 ( m-dobdc) ( m-dobdc 4- = 4,6-dioxido-1,3-benzenedicarboxylate) for the separation of xylene isomers using single-component adsorption isotherms and multicomponent breakthrough measurements. Remarkably, Co 2 (dobdc) distinguishes among all four molecules, with binding affinities that follow the trend o-xylene > ethylbenzene > m-xylene > p-xylene. Multicomponent liquid-phase adsorption measurements further demonstrate that Co 2 (dobdc) maintains this selectivity over a wide range of concentrations. Structural characterization by single-crystal X-ray diffraction reveals that both frameworks facilitate the separation through the extent of interaction between each C 8 guest molecule with two adjacent cobalt(II) centers, as well as the ability of each isomer to pack within the framework pores. Moreover, counter to the presumed rigidity of the M 2 (dobdc) structure, Co 2 (dobdc) exhibits an unexpected structural distortion in the presence of either o-xylene or ethylbenzene that enables the accommodation of additional guest molecules.