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Results for “quality”
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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Improvement of GaP crystal quality and silicon bulk lifetime in GaP/Si heteroepitaxy
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High-quality graphene as a coating for polycrystalline tungsten in low-energy helium and deuterium plasma exposures
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Utilizing pyrolysis GC-MS to characterize organic matter quality in relation to methane production in a thermokarst lake sediment core
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A high-quality genome assembly of the tetraploid Teucrium chamaedrys unveils a recent whole-genome duplication and a large biosynthetic gene cluster for diterpenoid metabolism
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The Quality of the Embedding Potential Is Decisive for Minimal Quantum Region Size in Embedding Calculations: The Case of the Green Fluorescent Protein
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Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water
Accurately simulating the properties of bulk water, despite the apparent simplicity of the molecule, is still a challenge. In order to fully understand and reproduce its complex phase diagram, it is necessary to perform simulations at the ab initio level, including quantum mechanical effects both for electrons and nuclei. This comes at a high computational cost, given that the structural and dynamical properties tend to require long timescales and large simulation cells. In this work, we evaluate the errors that density functional theory (DFT)-based simulations routinely incur into due time- and size-scale limitations. These errors are evaluated using neural-network-trained force fields that are accurate at the level of DFT methods. We compare different exchange and correlation potentials for properties of bulk water that require large timescales. Here we show that structural properties are less dependent on the system size and that dynamical properties such as the diffusion coefficient have a strong dependence on the simulation size and timescale. Our results facilitate comparisons of DFT-based simulation results with experiments and offer a path to discriminate between model and convergence errors in these simulations.
Electrochemical Oxidation of Metal–Catechol Complexes as a New Synthesis Route to the High-Quality Ternary Photoelectrodes: A Case Study of Fe 2 TiO 5 Photoanodes
A new electrochemical, solution-based synthesis method to prepare uniform multinary oxide photoelectrodes was developed. This method involves solubilizing multiple metal ions as metal-catechol complexes in a pH condition where they are otherwise insoluble. When some of the catechol ligands are electrochemically oxidized, the remaining metal complexes become insoluble and are deposited as metal-catechol films on the working electrode. The resulting films are then annealed to form crystalline multinary oxide electrodes. Since catechol can serve as a complexing agent for a variety of metal ions, the newly developed method can be used to prepare a variety of multinary oxide films. In the present study, we used this method to prepare n-type Fe 2 TiO 5 photoanodes and investigated their photoelectrochemical properties for use in a photoelectrochemical water splitting cell. We also performed a computational investigation with two goals. The first goal was to investigate small electron polaron formation in Fe 2 TiO 5 . Charge transport in most oxide photoelectrodes involves small polaron hopping, but small polaron formation in Fe 2 TiO 5 has not been examined prior to this work. The second goal was to investigate the effect of substitutional Sn doping at the Fe site on the electronic band structure and the carrier concentration of Fe 2 TiO 5 . Here, the combined experimental and theoretical results presented in this study greatly improve our understanding of Fe 2 TiO 5 for use as a photoanode.
A High-Quality Genome-Scale Model for Rhodococcus opacus Metabolism
Rhodococcus opacus is a bacterium that has a high tolerance to aromatic compounds and can produce significant amounts of triacylglycerol (TAG). Here, we present iGR1773, the first genome-scale model (GSM) of R. opacus PD630 metabolism based on its genomic sequence and associated data. The model includes 1773 genes, 3025 reactions, and 1956 metabolites, was developed in a reproducible manner using CarveMe, and was evaluated through Metabolic Model tests (MEMOTE). We combine the model with two Constraint-Based Reconstruction and Analysis (COBRA) methods that use transcriptomics data to predict growth rates and fluxes: E-Flux2 and SPOT (Simplified Pearson Correlation with Transcriptomic data). Growth rates are best predicted by E-Flux2. Flux profiles are more accurately predicted by E-Flux2 than flux balance analysis (FBA) and parsimonious FBA (pFBA), when compared to 44 central carbon fluxes measured by 13C-Metabolic Flux Analysis (13C-MFA). Under glucose-fed conditions, E-Flux2 presents an R2 value of 0.54, while predictions based on pFBA had an inferior R2 of 0.28. We attribute this improved performance to the extra activity information provided by the transcriptomics data. For phenol-fed metabolism, in which the substrate first enters the TCA cycle, E-Flux2’s flux predictions display a high R2 of 0.96 while pFBA showed an R2 of 0.93. We also show that glucose metabolism and phenol metabolism function with similar relative ATP maintenance costs. These findings demonstrate that iGR1773 can help the metabolic engineering community predict aromatic substrate utilization patterns and perform computational strain design.
On understanding bandgap bowing and optoelectronic quality in Pb–Sn alloy hybrid perovskites
Experimental insights regarding bandgap evolution in hybrid perovskite alloys and the optimal small-bandgap absorber composition desired for next-generation perovskite tandems.
Robust Lidar Data Processing and Quality Control Methods Developed for the SWiFT Wake Steering Experiment.
Abstract not provided.
Data quality assurance for the Majorana Demonstrator
The Majorana Demonstrator is an experiment constructed to search for neutrinoless double-beta decays in germanium-76 and to demonstrate the feasibility to deploy a large-scale experiment in a phased and modular fashion. It consists of two modular arrays of natural and 7648 Ge-enriched germanium detectors totalling 44.1 kg, located at the 4850' level of the Sanford Underground Research Facility in Lead, South Dakota, USA. Any Neutrinoless double-beta decay search requires a thorough understanding of the background and the signal energy spectra. This talk will discuss the various techniques employed to ensure the integrity of the measured spectra. Data collection is monitored with a thorough set of checks, and subsequent careful analysis is performed to qualify the data for higher level physics analysis. Instrumental background events are tagged for removal, and problematic channels are removed from consideration as necessary.