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Results for “Neutron diffraction”
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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Rock Elastic Anisotropy Study by X-ray Synchrotron, Neutron Diffraction and Ultrasonic Methods
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An in-situ Neutron Diffraction Study of the Crystal Structure of PrBaCo2O5+d at High Temperature and Controlled Oxygen Partial Pressure
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Insight into lithium distribution in lithium-stuffed garnet oxides through neutron diffraction and atomistic simulation: Li7-xLa3Zr2-xTaxO12 (x = 0-2) series
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Polymorphs of Rb[subscript 3]ScF[subscript 6]: X-ray and Neutron Diffraction, Solid-State NMR, and D
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Single-Crystal Time-of-Flight Neutron Diffraction and Magic-Angle-Spinning NMR Spectroscopy Resolve the Structure and 1 H and 7 Li Dynamics of the Uranyl Peroxide Nanocluster U 60
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Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design
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Data-driven analysis of neutron diffraction line profiles: application to plastically deformed Ta
Abstract Non-destructive evaluation of plastically deformed metals, particularly diffraction line profile analysis (DLPA), is valuable both to estimate dislocation densities and arrangements and to validate microstructure-aware constitutive models. To date, the interpretation of whole line diffraction profiles relies on the use of semi-analytical models such as the extended convolutional multiple whole profile (eCMWP) method. This study introduces and validates two data-driven DLPA models to extract dislocation densities from experimentally gathered whole line diffraction profiles. Using two distinct virtual diffraction models accounting for both strain and instrument induced broadening, a database of virtual diffraction whole line profiles of Ta single crystals is generated using discrete dislocation dynamics. The databases are mined to create Gaussian process regression-based surrogate models, allowing dislocation densities to be extracted from experimental profiles. The method is validated against 11 experimentally gathered whole line diffraction profiles from plastically deformed Ta polycrystals. The newly proposed model predicts dislocation densities consistent with estimates from eCMWP. Advantageously, this data driven LPA model can distinguish broadening originating from the instrument and from the dislocation content even at low dislocation densities. Finally, the data-driven model is used to explore the effect of heterogeneous dislocation densities in microstructures containing grains, which may lead to more accurate data-driven predictions of dislocation density in plastically deformed polycrystals.
Understanding ionic transport in perovskite lithium-ion conductor Li 3/8 Sr 7/16 Ta 3/4 Hf 1/4 O 3 : a neutron diffraction and molecular dynamics simulation study
Solid-state Li-ion electrolytes (SSEs) are essential for the development of next-generation solid-state Li-metal batteries and new Li-extraction electrochemical cells.
A method to determine hkl specific strain & corresponding shear moduli from in-situ neutron diffraction of polycrystalline samples
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Temperature-induced structural change through the glass transition of silicate glass by neutron diffraction
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