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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A comparative study: Effect of plasma on V{sub 2}O{sub 5} nanostructured thin films

Vanadium pentoxide nanostructured thin films (NSTs) have been studied to analyze the effect of plasma on nanostructures grown and morphology of films deposited using sublimation process. Nanostructured thin films were deposited on glass substrates, one in presence of oxygen plasma and other in oxygen environment (absence of plasma). Films were characterized using XRD, Raman spectroscopy, SEM and HRTEM. XRD studies revealed α-V{sub 2}O{sub 5} films (orthorhombic phase) with good crystallinity. However, film deposited in presence of plasma have higher peak intensities as compared to those deposited in absence of plasma. Raman studies also support these finding following same trends of considerable increase in intensity in case of film deposited in presence of plasma. SEM micrographs makes the difference more visible, as film deposited in plasma have well defined plate like structures whereas other film have not-clearly-defined petal-like structures. HRTEM results show orthorhombic phase with 0.39 nm interplanar spacing, as reported by XRD. Results are hereby in good agreement with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A comparative study of electronic and structural properties of polycrystalline and epitaxial magnetron-sputtered ZnO:Al and Zn{sub 1-x}Mg{sub x}O:Al Films—Origin of the grain barrier traps

Homoepitaxial and heteroepitaxial ZnO, ZnO:Al, and Zn{sub 1-x}Mg{sub x}O:Al films have been grown by magnetron sputtering from ceramic targets at substrate temperatures between 200 °C and 500 °C. We studied the relation between the electronic transport and structural properties for the epitaxially grown films and compared it to the properties of polycrystalline films by means of X-ray diffraction, transmission electron microscopy and optical reflectance and transmittance measurements. The results show that the epitaxial growth of ZnO:Al and Zn{sub 1-x}Mg{sub x}O:Al thin films, which has been observed for nearly all films prepared on single crystalline substrates, will not significantly improve the electronic transport properties in comparison to polycrystalline films unless the grain boundaries are eliminated completely. The grain boundary defect densities of about 3 × 10{sup 13} cm{sup −2} are nearly independent on the structural quality of the different polycrystalline, hetero- and homoepitaxial films. This clearly proves that the grain boundary defects are not caused by crystallographic defects, but, most probably, by the dopant aluminium.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Comparative study of GaN mesa etch characteristics in Cl{sub 2} based inductively coupled plasma with Ar and BCl{sub 3} as additive gases

GaN thin film etching is investigated and compared for mesa formation in inductively coupled plasma (ICP) of Cl{sub 2} with Ar and BCl{sub 3} gas additives using photoresist mask. Etch characteristics are studied as a function of ICP process parameters, viz., ICP power, radio frequency (RF) power, and chamber pressure at fixed total flow rate. The etch rate at each ICP/RF power is 0.1–0.2 μm/min higher for Cl{sub 2}/Ar mixture mainly due to higher Cl dissociation efficiency of Ar additive that readily provides Cl ion/radical for reaction in comparison to Cl{sub 2}/BCl{sub 3} mixture. Cl{sub 2}/Ar mixture also leads to better photoresist mask selectivity. The etch-induced roughness is investigated using atomic force microscopy. Cl{sub 2}/Ar etching has resulted in lower root-mean-square roughness of GaN etched surface in comparison to Cl{sub 2}/BCl{sub 3} etching due to increased Ar ion energy and flux with ICP/RF power that enhances the sputter removal of etch product. The GaN surface damage after etching is also evaluated using room temperature photoluminescence and found to be increasing with ICP/RF power for both the etch chemistries with higher degree of damage in Cl{sub 2}/BCl{sub 3} etching under same condition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

A comparative study on the optical limiting properties of different nano spinel ferrites with Z-scan technique

Highlights: ► First report in which the optical limiting properties of five different nano spinel ferrites are compared. ► The obtained nonlinearity fits to a two-photon like absorption process. ► Except for NiFe{sub 2}O{sub 4}, the observed nonlinearity has contributions from excited state absorption. ► A size dependent optical limiting response is obtained. ► Among the investigated ferrites, ZnFe{sub 2}O{sub 4} is found to be a better candidate for the optical limiting applications. -- Abstract: We report the optical limiting properties of five different spinel ferrites, NiFe{sub 2}O{sub 4}, Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, ZnFe{sub 2}O{sub 4}, Ni{sub 0.5}Co{sub 0.5}Fe{sub 2}O{sub 4}, and CoFe{sub 2}O{sub 4} with an average particle grain size of 8 nm. The optical limiting properties are investigated using the open aperture Z-scan technique. The obtained nonlinearity fits to a two-photon like absorption process. Except for NiFe{sub 2}O{sub 4}, the observed nonlinearity has contributions from excited state absorption. The optical limiting response is also studied against particle size and the nonlinearity is found to increase with increasing particle size within the range of our investigations. On comparing the optical limiting properties, ZnFe{sub 2}O{sub 4} is found to be a better candidate for the optical limiting applications. To the best of our knowledge, this is the first report where the optical limiting properties of spinel ferrites are compared.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Comparative study of Cs,O coadsorption on Ga{sub 0.75}Al{sub 0.25}N (0001) and (001) surfaces

Based on first principle calculations, we carried out comparative research of Cs,O coadsorption on Ga{sub 0.75}Al{sub 0.25}N (0001) surface and Ga{sub 0.75}Al{sub 0.25}N (001) (2 × 2) reconstruction surface. On the (0001) surface, the average coordinate difference between Cs and O atoms along [0001] direction is obviously smaller than that along [001] direction on (001) (2 × 2) reconstruction surface. This is due to the existence of dimers and trenches on the (001) (2 × 2) reconstruction surface. Cs atoms are favored to locate on the dimers while O atoms are favored to locate in the trenches. As a result, Cs–O dipoles on (001) (2 × 2) reconstruction surface make an important contribution on lowering work function. For both (0001) and (001) (2 × 2) reconstruction surface, work function values fluctuate up and down at the stage of Cs,O alternative adsorption, and the valley values are smaller and smaller. The site of Mg dopant has an influence on work function of the surfaces, which results in the “fish scale field” effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Advancing Cyber-Attack Detection in Power Systems: A Comparative Study of Machine Learning and Graph Neural Network Approaches

This paper explores the detection and localization of cyber-attacks on power systems, focusing on comparing conventional machine learning (ML) and deep learning methods, and graph neural network (GNN)-based techniques. We assess the detection accuracy of these approaches and their potential to pinpoint the locations of specific buses under attack. Given the demonstrated success of GNNs in other time series anomaly detection applications, we aim to evaluate their performance within the context of power systems cyber-attack. Utilizing the IEEE 68-bus system, we simulated four types of attacks to test the selected approaches. Our results indicate that GNN-based methods outperform conventional machine learning and deep learning models in detection. Additionally, GNNs show promise in accurately localizing attacks for simple scenarios, although they still face challenges in more complex cases.

artificial intelligence↗
DOE OSTI2023

Comparative Study and Validation of Photovoltaic Model Formulations for the IBPSA Modelica Library based on Rooftop Measurement Data

Domain-overarching system models are crucial to investigate sector coupling concepts. Specifically, the coupling of building and electrical energy systems becomes crucial to integrate renewable energy sources such as photovoltaic power systems (PV). For such interdisciplinary simulation models, Modelica is a suitable language. However, most open-source Modelica libraries are either domain-specific or lack simple-to-parameterize PV models. We close this gap by developing a PV model for the IBPSA Modelica library. The model comprises two I-V-characteristic models and three mounting-dependent approaches to calculate the cell temperature. The I-V-characteristic models follow a single- and two-diodes approach. This study uses measurement data from a rooftop PV system in Berlin, Germany, for validation. The focus lies on comparing the implemented single- and two-diodes approach. Results prove that both models accurately calculate the modules’ DC power output and cell temperature. The two-diodes approach slightly outperforms the single-diode one at the expense of a higher parameterization effort.

Maier, Laura↗
DOE OSTI2021

A Comparative Study of Joint Modeling Methods and Analysis of Fasteners [Slides]

Motivation: Crucial aspect of mechanical design is joining methodology of parts. Ability to analyze joint and fasteners in system for structural integrity is fundamental. Different modeling representations of fasteners include spring, beam, and solid elements. Various methods compared for linear system to decide method appropriate for design study. New method for modeling fastener joint is explored from full system perspective. Analysis results match well with published experimental data for new method.

42 ENGINEERING↗
DOE OSTI2020

A comparative study of thermal- and electrocatalytic conversion of furfural: methylfuran as a primary and major product

Controlling reaction selectivity represents a fundamental challenge in heterogeneous catalysis. Here, we compare the selectivity in aqueous-phase thermal catalytic and electrocatalytic conversion of furfural and report the fundamental difference in elementary steps in the two reaction systems. Specifically, we observed that furfural alcohol and 2-methylfuran, which is the hydrogenation and hydrogenolysis product of furfural, respectively, are both primary products in electrocatalysis over a Cu electrode, with 2-methylfuran dominating the product distribution under electrode potentials between -0.55 and -0.75 V versus RHE. By contrast, in an aqueous-phase thermal reaction using a SiO 2 -supported Cu catalyst, furfural alcohol and its derivatives from the ring-rearrangement reaction are the major products, without production of 2-methylfuran, at the reaction temperature between 140 and 200 °C. Here, we propose that the distinct selectivity trends for oxygenate conversion via thermal and electrocatalytic reduction result from the distinct sequence of proton attack to the aldehyde group and may be generally true for reduction reactions of other biomass-derived oxygenates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Polyolefin plastic waste hydroconversion to fuels, lubricants, and waxes: a comparative study

Hydroconversion technologies have surged to the forefront of deconstructing plastic waste. Recent studies have been performed over several catalysts with varying conditions and plastics that make comparisons difficult. We compile and compare data from the literature by introducing various metrics and perform a simple energy analysis. We draw mechanistic similarities to and differences from the past literature on small alkane hydroconversion and leverage the former to propose standard approaches to tune product selectivity. We exemplify the plastics materials gap and the challenges it creates. Lastly, we discuss the current limitations and suggest future work.

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

Rapid identification of homogeneous O 2 evolution catalysts and comparative studies of Ru(II)-carboxamides vs. Ru(II)-carboxylates in water-oxidation

One of the major challenges in developing sustainable energy storage systems is to discover robust oxygen evolving catalysts (OECs) that can efficiently oxidize water and produce oxygen, electrons and protons under highly oxidizing conditions. Thus, developing new screening methodologies and practical tools for OEC discovery is essential. We report a screening protocol which allows the accurate identification, benchmarking and kinetic analysis of molecular OECs using chemical oxidants, based on an oxygen-sensitive luminescent dissolved oxygen optical probe (DOOP). To demonstrate the practicality of this protocol, we screened more than 100 reactions to benchmark and evaluate the structure-activity relationship of several transition-metal complexes 1–16 based on Ru, Fe and Cu. Water-oxidation by Ru(II)-carboxylates is compared to structurally similar and less studied Ru(II)-carboxamides. A new Ru(II) complex 6 containing the doubly deprotonated N,N'-bis(aryl)pyridine-2,6-dicarboxamide was also synthesized and its oxygen evolution rate was found to be dramatically enhanced at neutral pH.

25 ENERGY STORAGE↗
DOE OSTI2023

A Comparative Study of Electrical Double Layer Effects for CO Reduction Reaction Kinetics

Solvation models describe how the interactions between the solutes and solvents affect the reactivity and selectivity in electrochemical processes. In this study, we developed a framework for evaluating the effects of applied potential and electrical double layer on CO reduction (COR), comparing fully explicit, implicit, and hybrid solvation models at the standard hydrogen electrode (SHE) scale. We analyzed all crucial intermediates leading to the production of C 1 and C 2 products and found good agreement across these models. Some notable differences were observed in the implicit description of *C and *CO adsorption at higher overpotentials and overall trends in the adsorption energies within the hybrid model. Using this unified SHE framework, we built comparable microkinetic models for COR kinetics and rates. Despite small differences in thermodynamics, solvation-model-based microkinetic simulations showed good agreement for onset potentials against the benchmark experiment. Only qualitative difference was observed for C 1+ versus hydrogen evolution at high overpotentials for the implicit model. Finally, we constructed a generalized C 2 selectivity map in descriptor space (U SHE , ΔG electrolyte CO ), which highlights the limitations of a copper-based COR catalyst and guides the search for optimal descriptor parameters to maximize C 2 selectivity. In conclusion, these findings demonstrate the importance of considering electrical double layer effects in reduction reactions and offer a useful framework for comparing solvation models and predicting optimal electrochemical conditions for specific applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A comparative study of Higgs boson production from vector-boson fusion

The data taken in Run II at the Large Hadron Collider have started to probe Higgs boson production at high transverse momentum. Future data will provide a large sample of events with boosted Higgs boson topologies, allowing for a detailed understanding of electroweak Higgs boson plus two-jet production, and in particular the vector-boson fusion mode (VBF). We perform a detailed comparison of precision calculations for Higgs boson production in this channel, with particular emphasis on large Higgs boson transverse momenta, and on the jet radius dependence of the cross section. We study fixed-order predictions at next-to-leading order and next-to-next-to-leading order QCD, and compare the results to NLO plus parton shower (NLOPS) matched calculations. The impact of the NNLO corrections on the central predictions is mild, with inclusive scale uncertainties of the order of a few percent, which can increase with the imposition of kinematic cuts. We find good agreement between the fixed-order and matched calculations in non-Sudakov regions, and the various NLOPS predictions also agree well in the Sudakov regime. We analyze backgrounds to VBF Higgs boson production stemming from associated production, and from gluon-gluon fusion. At high Higgs boson transverse momenta, the Δy$_{jj}$ and/or m$_{jj}$ cuts typically used to enhance the VBF signal over background lead to a reduced efficiency. We examine this effect as a function of the jet radius and using different definitions of the tagging jets. QCD radiative corrections increase for all Higgs production modes with increasing Higgs boson p$_{T}$, but the proportionately larger increase in the gluon fusion channel results in a decrease of the gluon-gluon fusion background to electroweak Higgs plus two jet production upon requiring exclusive two-jet topologies. We study this effect in detail and contrast in particular a central jet veto with a global jet multiplicity requirement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems

We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

A comparative study of conventionally sintered and microwave sintered nickel zinc ferrite

For the present work, nickel zinc ferrite having compositional formula Ni{sub 0.8}Zn{sub 0.2}Fe{sub 2}O{sub 4} was synthesized by conventional solid state method and sintered in conventional and microwave furnaces. Pellets were sintered with very short soaking time of 10 min at 1150 °C in microwave furnace whereas 4 hrs of soaking time was selected for conventional sintering at 1200 °C. Phase formation was confirmed by X-ray diffraction analysis technique. Scanning electron micrographs were taken for microstructural study. Dielectric properties were studied as a function of temperature. To study magnetic behavior, M-H hysteresis loops were recorded for both samples. It is observed that microwave sintered sample could obtain comparable properties to the conventionally sintered one in lesser soaking time at lower sintering temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2019

BOUT++ nonlinear simulation for a comparative study with the measured 2D ELM structures in the KSTAR H-mode plasma

Here, time-dependent nonlinear simulation using the BOUT++ 3-field model is performed for a study of edge localized mode (ELM) dynamics in KSTAR H-mode plasmas. The simulated results of the ELM evolution are directly compared with the 2D ELM structures, measured by electron cyclotron emission imaging systems, from the initial growth to crash phase. The simulation results are qualitatively in good agreement with the observations. Specifically, it is notable in simulation and experiment that higher-n modes in a quasi-steady state phase evolve into lower-n modes close to the ELM-crash in time. It indicates that lower-n modes may be responsible for the onset of the crash. A postanalysis confirms that nonlinear mode coupling between toroidal harmonics may drive the lower-n mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Photocatalytic Degradation of the Nanocomposite Film Comprising Polyvinyl Chloride (PVC) and Sonochemically Synthesized Iron-Doped Zinc Oxide: A Comparative Study of Performances Between Sunlight and UV Radiation

Photocatalytic degradation of a composite film made of PVC and Fe-doped ZnO nanoparticles under both UV and sunlight have been accomplished and compared. The metal-doped semiconductor nanoparticles were previously synthesized using ultrasound. The nanoparticles had average crystal size of 33.67 nm and a bandgap of 2.69 eV. Catalysts loading were varied. Composite film with 0.033 g Fe-ZnO per g PVC was found to be the optimum with respect to degradation and mechanical properties. Degradation was monitored by loss in weight. Under sunlight 12% degradation could be achieved with the composite film in 210 min whereas under UV light the degradation was 10%. For pure PVC film, the corresponding degradations were 4.2 and 4.84% respectively. A plausible mechanism has been suggested and validated with experimental results which fitted the proposed model satisfactorily.

77 NANOSCIENCE AND NANOTECHNOLOGY↗