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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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Release of windowed multipole library for ENDF/B-VIII.0 in support of OpenMC criticality and depletion analysis
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Exclusive meson photo- and electro-production, a window on the structure of hadronic matter
At high energy, exclusive meson photo- and electro-production give access to the structure of hadronic matter. At low momentum transfers, the exchange of a few Regge trajectories leads to a comprehensive account of the cross-sections. Among these trajectories, which are related to the mass spectrum of families of mesons, the Pomeron plays an interesting role as it is related to glue-ball excitations. At high momentum transfers, the exchange of these collective excitations is expected to reduce to the exchange of their simplest (quark or gluon) components. However, contributions from unitarity rescattering cuts are relevant even at high energies. In the JLab energy range, the asymptotic regime, where the players in the game are current quarks and massless gluons has not been reached yet. One has to rely on more effective degrees of freedom adapted to the scale of the probe. A consistent picture, the Partonic Non-Perturbative Regime, is emerging. The properties of its various components (dressed propagators, effective coupling constants, quark wave functions, shape of the Regge trajectories, etc) provide us with various links to hadron properties. I will review the status of the field, will put in perspective the current achievements at JLab, SLAC and Hermes, and will assess future developments that are made possible by continuous electron beams at higher energies.
Re-directing mixed-feed deconstruction products to hybrid polyesters: Tolerance windows for commodity plastics reconstruction
Solvolysis is a promising strategy for mixed-feed polyester recycling, but little attention has been given to downstream product separations or the impact of using imperfectly separated monomer mixtures in recycled polymer reconstruction. Here, we challenge the traditional need for high-purity monomers in polycondensation synthesis of engineering thermoplastics. Monomer mixtures are derived from catalyzed methanolysis of polyethylene terephthalate (PET), polybutylene terephthalate (PBT), and polybutylene adipate-co-terephthalate (PBAT), with separation scenarios ranging from high (99:1) to low (90:10) purity. We focus on challenging-to-separate products like ethylene glycol and 1,4-butanediol and evaluate tolerance for comonomer incorporation in recycled hybrid polyesters: polybutylene-co-ethylene terephthalate (PBET) and polybutylene ethylene adipate-co-terephthalate (PBEAT). Evaluations are made between “contaminant” monomer incorporation, and the resulting materials’ thermal properties, crystalline structure, tensile toughness, and rheology. Ultimately, we highlight that despite incorporation of contaminant monomer, high-performance hybrid polyesters of PET, PBT, and PBAT are obtained while reducing the strain of high-throughput separations.
Mathematical model for radiation energy from an urban surface penetrating the atmospheric infrared window
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Parametric study of the impact of window attachments on air conditioning energy consumption
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Indium doped Cd1-xZnxO alloys as wide window transparent conductors
We have synthesized Indium doped Cd 1-x Zn x O alloys across the full composition range using magnetron sputtering method. The crystallographic structure of these alloys changes from rocksalt (RS) to wurtzite (WZ) when the Zn content is higher than 30%. The rocksalt phase alloys in the composition range 0 < x < 0.3 can be efficiently n-type doped, shifting the absorption edge to 3.25 eV and reducing resistivity to about 2.0 × 10 -4 Ω-cm. Here, we found that In doped CdO (ICO) transmits more solar photons than commercial fluorine doped tin oxide (FTO) with comparable sheet conductivity. The infrared transmittance is further extended to longer than 1500 nm wavelengths by depositing the In doped Cd 1-x Zn x O in ~ 1% of O 2 . This material has a potential for applications as a transparent conductor for silicon and multi-junction solar cells.
Wide-angle spectral filter for energy-saving windows designed by quantum annealing-enhanced active learning
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Correlations between Transition Metal Chemistry, Local Structure and Global Structure in Li 2 Ru 0.5 Mn 0.5 O 3 Investigated in a Wide Voltage Window
Li 2 Ru 0.5 Mn 0.5 O 3 , a high capacity lithium rich layered cathode material for lithium-ion batteries, was subject to comprehen-sive diagnostic studies including in situ/ex situ X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS), pair distribu-tion function (PDF) and high resolution scanning transmission electron microscopy (STEM) analysis, to understand the cor-relations between transition metal chemistry, structure and lithium storage electrochemical behavior. Ru-Ru dimers have been identified in the as-prepared sample and found to be preserved upon prolonged cycling. Presence of these dimers, which are likely caused by the delocalized nature of 4d electrons, is found to favor the stabilization of the structure in a lay-ered phase. The in situ XAS results confirm the participation of oxygen redox into the charge compensation at high charge voltage, and the great flexibility of the covalent bond between Ru and O may provide great reversibility of the global struc-ture despite of the significant local distortion around Ru. In contrast, the local distortion around Mn occurs at low discharge voltage and is accompanied by a “layered to 1T” phase transformation, which is found to be detrimental to the cycle per-formances. It is clear that the changes of local structure around individual transition metal cations respond separately and differently to lithium intercalation/deintercalation. Here, cations with the capability to tolerate the lattice distortion will benefit for maintaining the integrality of the crystal structure and therefore is able to enhance the long-term cycling performance of the electrode materials.
Examination of Replicate Syntheses of Metal Organic Frameworks as a Window into Reproducibility in Materials Chemistry
Replicate experiments are a useful tool in understanding the repeatability of scientific measurements. In 2019, a systematic search for replicate syntheses of a collection of 130 metal–organic frameworks (MOFs) found that 89% of these materials had no reported replicate syntheses apart from the original publications identifying the material (Agrawal, M. Proc. Natl. Acad. Sci. U.S.A. 2020, 117, 877−88210.1073/pnas.1918484117). A potential weakness of that search was that only 5–11 years had elapsed since the original publication of each material. Here, this analysis is extended to all publications 11–17 years after the original publication. Although this extended time period identifies more repeat syntheses, 83% of the materials still have no reported replicate syntheses. We also consider how appropriately selected Density Functional Theory (DFT) calculations can provide corroboration for the experimentally reported crystal structures. By using data from previous high-throughput DFT studies, corroborating evidence from DFT was available for 17% of the 130 structures for which no replicate syntheses are available. In total, approximately 1/3 of the 130 MOFs have data associated with replicate synthesis experiments and/or directly corroborating DFT calculations.
Time-Resolved X-ray Spectroscopy in the Water Window: Elucidating Transient Valence Charge Distributions in an Aqueous Fe(II) Complex
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Exploring the Electrochemical Stability Window of an All-Solid-State Composite Cathode via a Novel Operando Tender XPS Setup
All-solid-state batteries (ASSBs) have the potential to provide greater energy density than conventional batteries based on liquid electrolytes. Here, an operando ASSB cell setup for tender X-ray photoelectron spectroscopy (XPS) was developed, and the interface of a Ni-rich layered transition metal oxide cathode active material (CAM) and an Li 6 PS 5 Cl (LPSCl) solid electrolyte (SE) was evaluated during initial charge/discharge cycles. After validating the cell performance against a conventional pouch cell operated at high compression, intermittent galvanostatic cycling was performed, and XPS data were recorded as a function of state of charge (SOC). Upon the initial charge of the cell to ≈3.3 V Li , the LPSCl appears to decompose into LiCl, Li 3 PS 4 , and polysulfides, whose amount gradually increases with potential. Upon further charge, at a potential higher than ≈3.8 V Li , initially, present sulfate and sulfite impurities decompose, and at ≈74% SOC (corresponding to a cathode potential of ≈4.10 V Li ), surface reconstruction of the CAM particles due to lattice oxygen release is detected. In addition, at potentials beyond ≈4.6 V Li , a decrease of the S 1s counts of the sum of the LPSCl, the thiophosphate, and polysulfide species suggests the formation of elemental sulfur that is lost via sublimation into the vacuum chamber.
Chemically Interconnected Thermotropic Polymers for Transparency-Tunable and Impact-Resistant Windows
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Predicting Wettability and the Electrochemical Window of LithiumMetal/Solid Electrolyte Interfaces
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High-Performance CuInS 2 Quantum Dot Laminated Glass Luminescent Solar Concentrators for Windows
Building-integrated sunlight harvesting utilizing laminated glass luminescent solar concentrators (LSCs) is proposed. By incorporating high quantum yield (>90%), NIR-emitting CuInS 2 /ZnS quantum dots into the polymer interlayer between two sheets of low-iron float glass, a record optical efficiency of 8.1% is demonstrated for a 10 cm x 10 cm device that transmits ~44% visible light. After completing prototypes by attaching silicon solar cells along the perimeter of the device, the electrical power conversion efficiency was certified at 2.2% with a black background and at 2.9% using a reflective substrate. This 'drop-in' LSC solution is particularly attractive because it fits within the existing glazing industry value chain with only modest changes to typical glazing products. Performance modeling predicts >1 GWh annual electricity production for a typical urban skyscraper in most major U.S. cities, enabling significant energy cost savings and potentially 'net-zero' buildings.