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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Thermally induced chain orientation for improved thermal conductivity of P(VDF-TrFE) thin films

A large increase in thermal conductivity κ was observed in a P(VDF-TrFE) thin film annealed above melting temperature due to extensive ordering of polymer backbone chains perpendicular to the substrate after recrystallization from the melt. This finding may lay out a straightforward method to improve the thin film κ of semicrystalline polymers whose chain orientation is sensitive to thermal annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Assigning a structural motif using spontaneous molecular dipole orientation in thin films

Spontaneous orientation of molecular dipoles has been observed to produce bulk electric fields, termed ‘spontelectric’ fields, in a broad variety of molecular solid thin films formed by condensation from the gas phase. Such spontelectric fields are found in cis-methyl formate (cis-MF) and the present work combines observation of these fields with high quality ab initio studies of cis-MF monomers and dimers. This enables a prediction of the structural motif within the unit cell of the crystalline phase of solid cis-MF, showing it to be a non-polar dimer. Dimer formation at deposition temperatures of >90 K is therefore cited to contribute to the observed collapse of the spontelectric field at these temperatures. We report this is the first time that such a structural prediction has been made using observations of spontelectric behaviour as a key indicator.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Highly-oriented one-dimensional MOF-semiconductor nanoarrays for efficient photodegradation of antibiotics

The ineffective removal of antibiotics from the aquatic environment has raised serious problems, including chronic toxicity and antibiotic resistance. Among the numerous strategies, photocatalytic degradation appears to be one of the promising methods to remove antibiotics. Semiconductors are the most widely used photocatalysts, whereas, their efficiencies still suffer from limited light absorption and poor charge separation. Given their exceptional properties, including a superior surface area and massive active sites, MOFs are excellent candidates for the formation of hierarchical nanostructures with semiconductors to address the above issues. In this study, highly-oriented one-dimensional (1D) MIL-100(Fe)/TiO 2 nanoarrays were developed as photocatalysts for the first time (MIL = Materials Institute Lavoisier). The 1D structured TiO 2 nanoarrays not only enable the direct and enhanced charge transport, but also permit easy recycling. With the in situ growth of MIL-100(Fe) on the TiO 2 nanoarrays, the composite exhibits enhanced light absorption, electron/hole separation, and accessibility of active sites. As a result, up to 90.79% photodegradation efficiency of tetracycline, a representative antibiotic, by the MIL-100(Fe)/TiO 2 composite nanoarrays was achieved, which is much higher than that of pristine TiO 2 nanoarrays (35.22%). It is also worth mentioning that the composite nanoarrays demonstrate high stability and still exhibit high efficiency twice that of the pristine TiO 2 nanoarrays even in the 5th run. In conclusion, this study offers a new strategy for the degradation of antibiotics by using 1D MOF-based nanocomposite nanoarrays.

42 ENGINEERING↗
DOE OSTI2019

Can Mineral Growth by Oriented Attachment Lead to Incorporation of Uranium(VI) into the Structure of Goethite?

Oriented aggregation (OA), whereby crystals grow by successive attachment of precursor nanoparticles that are crystallographically co-aligned with the growing crystal, is a fundamental process by which many low solubility phases and minerals reach maturity in aqueous solution. Here, we investigated whether U(VI) can be incorporated into the structure of goethite that grows by OA. Wet chemical analysis and acid treatments showed that the additions of U(VI) early in the OA process hindered crystallization and increased the recalcitrant fraction of sorbed U(VI) relative to later addition of U(VI). Over time, however, the recalcitrant fraction of U(VI) decreased and converged to similar values for both early and late additions of U(VI). Electron microscopy indicated a portion of the acid resistant sorbed U(VI) was likely associated with grain boundaries between aggregating particles, not nanopores; and that these features were annealed out with increasing reaction time. Further, time elapsed imaging of U atom diffusion, that was stimulated by the electron beam, indicated that most sorbed U(VI) was not incorporated into the structure of goethite. This was confirmed and more rigorously quantified by ab initio molecular dynamics informed extended X-ray absorption fine structure spectra which indicated that only up to 5% of the recalcitrant U(VI) might be incorporated with an upper solubility limit of only U/Fe ~ 0.02 atom % in goethite where U(VI) was added early in the process. We conclude that most of the recalcitrant U(VI) is simply strongly adsorbed to the surface and that it is the uranyl oxygens that both inhibit crystallization of goethite as well as incorporation of U into the structure of goethite.

Soltis, Jennifer A.↗
DOE OSTI2019

Oriented porous LLZO 3D structures obtained by freeze casting for battery applications

All solid-state lithium batteries are, potentially, higher energy density and safer alternatives to conventional lithium-ion batteries (LIBs). These are particularly attractive characteristics for large-scale applications such as electric vehicles and grid energy storage systems. However, the thin film deposition techniques used to make current devices are not readily scalable, and result in low areal capacities, which translate to low practical energy densities. To overcome these deficiencies, it is necessary to design thicker electrodes similar to what are used in LIBs (30–100 μm), in which the active material is composited with an ionic conductor and an electronically conducting additive, to overcome transport limitations. In this paper, we propose a method for making such an electrode, starting with a porous scaffold, i.e. Li 7 La 3 Zr 2 O 12 (LLZO), made by freeze casting, which is then infiltrated with the active material LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC-622) and other components. The freeze casting technique results in the formation of oriented channels with low tortuosity, which run roughly parallel to the direction of the current. The scaffolds were characterized with synchrotron X-ray micro-tomography for structural analysis, as well as synchrotron X-ray fluorescence to map the elemental distribution in the infiltrated composite. A hybrid half-cell was constructed and cycled as proof of principle, and it showed good stability. In addition, a bilayer structure consisting of a porous layer combined with a dense LLZO film was successfully made as a prototype of an all solid-state battery. Finally, a mathematical model was established to propose optimized scaffold structures for battery performance.

25 ENERGY STORAGE↗
DOE OSTI2021

An exact inversion method for extracting orientation ordering by small-angle scattering

Here, we outline a nonparametric inversion strategy for determining the orientation distribution function (ODF) of sheared interacting rods using small-angle scattering techniques. With the presence of direct inter-rod interaction and fluid mechanical forces, the scattering spectra are no longer characterized by the azimuthal symmetry in the coordinates defined by the principal directions of simple shear conditions, which severely compounds the reconstruction of ODFs based on currently available methods developed for dilute systems. Using a real spherical harmonic expansion scheme, the real-space ODFs are uniquely determined from the anisotropic scattering spectra and their numerical accuracy is verified computationally. Our method can be generalized to extract ODFs of uniaxially anisotropic objects under different flow conditions in a properly transformed reference frame with suitable basis vectors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Twin suppression effect of dihydroxy-benzene isomers during the secondary growth of b -oriented zeolite MFI nanosheet films

In this study, the presence of MFI twin crystals on b-axis oriented zeolite MFI nanosheet films was suppressed by adding dihydroxy-benzene isomers in the synthesis mixture. The resulting nanosheet films exhibit good intergrowth and a small grain thickness of 30–45 nm within a relatively short synthesis time (hours). The possible twin suppression mechanisms for the three isomers are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Vertically oriented metamaterial broadband linear polariser

Control and manipulation of polarization is an important topic for imaging and light matter interactions. In the infrared regime, the large wavelengths make wire grid polarizers a viable option, as it is possible to create periodic arrays of metallic wires at that scale. The recent advent of metamaterials has spurred an increase in non-traditional polarizer motifs centred around more complicated repeat units, which potentially provide more functionality. In this paper we explore the use of two-dimensional (2D) arrays of single and back-to-back vertically oriented cross dipoles arranged in a cubic in-plane silicon matrix. Here, we show that both single and back-to-back versions have higher rejection ratios and larger bandwidths than either wire grid polarizers or 2D arrays of linear dipoles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enhancing the distribution grid resilience using cyber-physical oriented islanding strategy

The increasing penetration of distributed generations enables an innovative operation paradigm that allows islanded operation to enhance the resilience of the distribution grid. In this study, a cyber-physical oriented islanding strategy is proposed by coordinating centralised and distributed control to achieve seamless islanding transition and operational flexibility in emergency conditions. A cyber-physical control structure is developed to mitigate various disturbances (e.g. emergencies or fluctuations) according to different operation conditions. Specifically, the distributed fault isolation and seamless islanding transition are coordinated to mitigate the outage caused by unplanned islanding, while a secondary control is proposed to support primary control by reducing the power fluctuations during islanded operation. With a rapid response speed, the local cyber-physical devices are coordinated to accomplish islanding separation by selecting a feasible islanded area even under an unplanned islanding situation. A field test was conducted on a practical distribution network in China, and the results demonstrated the effectiveness and feasibility of the proposed islanding strategy.

24 POWER TRANSMISSION AND DISTRIBUTION↗