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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Role of atomistic structure in the stochastic nature of conductivity in substoichiometric tantalum pentoxide

First-principles calculations of electrical conductivity (σ{sub o}) are revisited to determine the atomistic origin of its stochasticity in a distribution generated from sampling 14 ab-initio molecular dynamics configurations from 10 independently quenched models (n = 140) of substoichiometric amorphous Ta{sub 2}O{sub 5}, where each structure contains a neutral O monovacancy (V{sub O}{sup 0}). Structural analysis revealed a distinct minimum Ta-Ta separation (dimer/trimer) corresponding to each V{sub O}{sup 0} location. Bader charge decomposition using a commonality analysis approach based on the σ{sub o} distribution extremes revealed nanostructural signatures indicating that both the magnitude and distribution of cationic charge on the Ta subnetwork have a profound influence on σ{sub o}. Furthermore, visualization of local defect structures and their electron densities reinforces these conclusions and suggests σ{sub o} in the amorphous oxide is best suppressed by a highly charged, compact Ta cation shell that effectively screens and minimizes localized V{sub O}{sup 0} interaction with the a-Ta{sub 2}O{sub 5} network; conversely, delocalization of V{sub O}{sup 0} corresponds to metallic character and high σ{sub o}. The random network of a-Ta{sub 2}O{sub 5} provides countless variations of an ionic configuration scaffold in which small perturbations affect the electronic charge distribution and result in a fixed-stoichiometry distribution of σ{sub o}; consequently, precisely controlled and highly repeatable oxide fabrication processes are likely paramount for advancement of resistive memory technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

CO adsorption on small Au{sub n} (n = 1–4) structures supported on hematite. I. Adsorption on iron terminated α-Fe{sub 2}O{sub 3} (0001) surface

This is the first of two papers dealing with the adsorption of Au and formation of Au{sub n} nanostructures (n = 1–4) on hematite (0001) surface and adsorption of CO thereon. The stoichiometric Fe-terminated (0001) surface of hematite was investigated using density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof (PBE) form with Hubbard correction U, accounting for strong electron correlations (PBE+U). The structural, energetic, and electronic properties of the systems studied were examined for vertical and flattened configurations of Au{sub n} nanostructures adsorbed on the hematite surfaces. The flattened ones, which can be viewed as bilayer-like structures, were found energetically more favored than vertical ones. For both classes of structures the adsorption binding energy increases with the number of Au atoms in a structure. The adsorption of Au{sub n} induces charge rearrangement at the Au{sub n}/oxide contact which is reflected in work function changes. In most considered cases Au{sub n} adsorption increases the work function. A detailed analysis of the bonding electron charge is presented and the corresponding electron charge rearrangements at the contacts were quantified by a Bader charge analyses. The interaction of a CO molecule with the Au{sub n} nanostructures supported on α-Fe{sub 2}O{sub 3} (0001) and the oxide support was studied. It is found that the CO adsorption binding to the hematite supported Au{sub n} structures is more than twice as strong as to the bare hematite surface. Analysis of the Bader charges on the atoms showed that in each case CO binds to the most positively charged (cationic) atom of the Au{sub n} structure. Changes in the electronic structure of the Au{sub n} species and of the oxide support, and their consequences for the interactions with CO, are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Confirmation of the Dominant Defect Mechanism in Amorphous In-Zn-O Through the Application of In Situ Brouwer Analysis

The dominant point defect mechanism of amorphous (a-) indium zinc oxide (IZO) was probed through in situ electrical characterization of sputtered a-IZO thin films in response to changes in oxygen partial pressure (pO2) at 300 degrees C. The results yielded a power law dependence of conductivity (s) versus pOinline image of ~-1/6. This experimental method, known as Brouwer analysis, confirms doubly-charged oxygen vacancies as the dominant defect species in a-IZO. The success of this study suggests that Brouwer analysis is a viable method for studying the defect mechanisms of amorphous oxides.

14 SOLAR ENERGY↗
NASA NTRS1977

Measurement of material parameters that limit the open-circuit voltage in P-N-junction silicon solar cells

The greatest gains in solar energy conversion efficiency of p-n-junction silicon solar cells come from increasing the open-circuit voltage V sub OC; it is important to understand and characterize the material parameters that limit the V sub OC. Strong experimental evidence exists to support the assertion that either an anomalously large minority carrier charge storage or an anomalously small minority carrier lifetime in the quasi-neutral emitter region limits the open circuit voltage. A method is presented for measuring charge storage and effective lifetime. Static and transient measurements are analyzed using physical models of the solar cell characteristics. This analysis yields the emitter charge storage and life-time, which then can be related to the various physical mechanisms, such as energy band gap shrinkage, that have been proposed earlier as responsible for limiting V sub OC.

Lindholm, F. A.↗
NASA NTRS1991

Electrical emissions of airplanes flying in electrified clouds and their effect on airplane measurements of cloud electric fields

The signature of the cloud electric field components deduced from measurements made with electric field meters carried on airplane penetrating electrified clouds is often complex, especially when the airplane experiences strong electrical charging. However, simple electric field variations were obtained for penetrations involving severe charging of the airplane on flights over KSC on 19 Aug. 1989. During these episodes of severe electrical charging, the airplane typically became negatively charged as it approached a region of negative cloud charge and then became positively charged as it receded from the cloud charge. The charge acquired by the airplane within the cloud was so large that the electric fields at the faces of the mills mounted on the fuselage were as large as for an ambient electric field of 60 to 80 kV/m. However, the deduced electric field components perpendicular to the direction of flight, to which these mills respond, were only about 5 to 10 kV/m. The variation of the deduced ambient field component in the direction of flight was antisymmetric about the charge region for these penetrations. Analysis of these results suggest that intense plumes of electric charge were emitted from the airplane and that the electric field associated with these plumes overcame the electric field due to the cloud charge at the tail-mounted field mill. As a consequence, the deduced component of the ambient electric field in the direction of flight was severely distorted. These findings emphasize the need for careful evaluation of airplane electric field measurements and of the need for further work on techniques for improving the measurements.

Jones, James J.↗
DOE OSTI2013

Renormalized dynamic charge shielding on the electron-atom collision: Eikonal analysis

The influence of the dynamic renormalization plasma shielding on the electron-atom collision is investigated in a dense strongly coupled electron system. The semiclassical eikonal method and effective interaction potential are employed to obtain the eikonal scattering phase shift and eikonal collision cross section as functions of the Debye length, impact parameter, projectile energy, and thermal energy. It is found that the renormalized dynamic charge shielding effect enhances the eikonal collision cross section. The variation of the dynamic renormalization shielding on the electron-atom collision is also discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Fourier Analysis and Loss Modeling for Inductive Wireless Electric Vehicle Charging with Reduced Stray Field

With the growth of electric vehicle (EV) popularity, different charging options to increase user convenience and reduce charging times are being considered and researched. Among these, inductive wireless power transfer (WPT) systems for EVs are being designed to meet specifications such as stray field, power level, efficiency, misalignment tolerance, and ground clearance, which are all heavily influenced by the coil geometry. The proposed Fourier Analysis Method (FAM) is an analytical method to directly design coil geometries to meet stray field and power level requirements through an optimization of Fourier basis function coefficients. The outputs of the optimization are complex, planar coil geometries that meet the power level and stray field constraints with minimized loss factors. Contours of these potentials determine the coil conductor paths and loss models predict the system efficiency and performance over misalignment. The Fourier representation of the geometry is used to conveniently calculate the coupling over misalignment, external proximity effect loss, and ferrite loss. A 6.6 kW prototype WPT system with low stray field and high efficiency is built from the optimization results to validate the models and showcase the usefulness of the FAM design approach.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Mapping and probing Froggatt-Nielsen solutions to the quark flavor puzzle

The Froggatt-Nielsen (FN) mechanism is an elegant solution to the flavor problem. In its minimal application to the quark sector, the different quark types and generations have different charges under a 𝑈⁢(1)𝑋 flavor symmetry. The SM Yukawa couplings are generated below the flavor breaking scale with hierarchies dictated by the quark charge assignments. Only a handful of charge assignments are generally considered in the literature. We analyze the complete space of possible charge assignments with |𝑋 𝑞𝑖 | ≤ 4 and perform both a set of Bayesian-inspired numerical scans and an analytical spurion analysis to identify those charge assignments that reliably generate SM-like quark mass and mixing hierarchies. The resulting set of top-20 flavor charge assignments significantly enlarges the viable space of FN models but is still compact enough to enable focused phenomenological study. We then apply our numerical methodology to demonstrate that these distinct charge assignments result in the generation of correlated flavor-violating four-quark operators characterized by significantly varied strengths, potentially differing substantially from the possibilities previously explored in the literature. Future precision measurement of Δ⁢𝐹 = 2 observables, along with increasingly accurate SM predictions, may therefore enable us to distinguish among otherwise equally plausible FN charges, thus shedding light on the UV structure of the flavor sector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Slide Test FY 2019 Report

At Los Alamos, the Slide Test was developed in 2019 to investigate whether the mass of a main charge of explosive sliding on a gritty surface, in the absence of impact, is sufficient to heat grit to ignition temperatures in PBX 9501. This is a practical test to address frictional ignition during assembly/disassembly operations at the Pantex Plant. Twenty-seven Slide Tests were performed in total, testing PBX 9501 at various slide velocities, grit diameters, grit patterns, and charge masses. Time-resolved velocimetry of the slide event (from PDV) and spot area of the explosive charge (obtained from image analysis) is reported. High-speed videography is used to diagnose explosive reaction. Eighteen of these tests were performed with a charge mass of 30 lbs at velocities ≤ 4 m s-1 and grit diameters between 75 and 1000 µm. Nine Slide Tests were performed with a 15 lb charge mass at similar parameters. No ignition was observed in any of the tests. These data provide evidence that the mass of a main charge, caused to slide on a surface at the low velocities achievable during routine handling, is insufficient stimulus to heat grit to ignition temperatures. These findings are relevant to risk assessment for explosive handling operations and provide evidence that PBX 9501 is safe within the constraints that were tested. However, because ignitions were not observed in any of the tests, we cannot determine which variables (mass or velocity) dominate the explosive response and to what extent. The absence of observed ignition also precludes the determination of a safety margin. To identify this safety margin, further research would be necessary to define the velocity and/or mass threshold at which ignition occurs.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

Thermal Analysis of a Polypropylene Capacitor for Resonant Tuning Networks in WPT Applications

This study presents the thermal analysis of polypropylene capacitors operating at high frequencies and high currents used in the resonant tuning networks for electric vehicle (EV) wireless charging systems. The thermal analysis and performance results of the CELEM polypropylene capacitors are presented at different currents for a polyphase wireless power transfer (WPT) system while the study can be expanded to other capacitors by different manufacturers. Thermal equivalent circuit of the capacitor is derived and required cold plate size and design calculations are conducted by modeling the polypropene capacitor in MATLAB. The polypropene capacitor's finite element analysis (FEA) model is developed using COMSOL Multiphysics simulation software, and the thermal characteristics and analysis of the capacitor are presented in this paper.

Aktas, Ahmet↗
DOE OSTI2016

High-time resolution measurements of solar wind heavy ions with SOHO/CELIAS/CTOF

The Charge Time-Of-Flight (CTOF) mass spectrometer as part of the Charge, ELement and Isotope Analysis System (CELIAS) onboard the SOlar and Heliospheric Observatory (SOHO) is designed to measure the kinetic properties and elemental/ionic composition of solar wind ions heavier than protons, which we refer to as heavy ions. This is achieved by the combined measurements of the energy-per-charge, the time-of-flight and the energy of incident ions. The CTOF instrument combines a remarkable time-of-flight resolution with a large effective area and a high measurement cadence. This allows to determine the Velocity Distribution Functions (VDFs) of a wide range of heavy ions with 5-minute time resolution which ensures that the complete VDF is measured under nearly identical solar wind and magnetic field conditions. For the measurement period between Day Of Year (DOY) 150 and 220 in 1996, which covers a large part of the instrument’s short life time, we analyzed VDFs of solar wind iron Fe{sup 8+}, Fe{sup 9+} and Fe{sup 10+} for differential streaming relative to the solar wind proton speed measured simultaneously with the CELIAS Proton Monitor (PM). We find an increasing differential streaming with increasing solar wind proton speed for all investigated ions up to ion-proton velocity differences of 30 - 50 km s{sup −1} at proton velocities of 500 km s{sup −1}, which is contradictory to an earlier CTOF study by [7]. We believe this difference is because in this study we used raw Pulse Height Analysis (PHA) data with a significantly increased mass and mass-per-charge resolution compared to the earlier used onboard preprocessed data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Comprehensive Single-Shot Proteomics with FAIMS on a Hybrid Orbitrap Mass Spectrometer

Liquid chromatography (LC) prefractionation is often implemented to increase proteomic coverage; however, while effective, this approach is laborious, requires considerable sample amount, and can be cumbersome. We describe how interfacing a recently described high-field asymmetric waveform ion mobility spectrometry (FAIMS) device between a nanoelectrospray ionization (nanoESI) emitter and an Orbitrap hybrid mass spectrometer (MS) enables the collection of single-shot proteomic data with comparable depth to that of conventional two-dimensional LC approaches. This next generation FAIMS device incorporates improved ion sampling at the ESI–FAIMS interface, increased electric field strength, and a helium-free ion transport gas. With fast internal compensation voltage (CV) stepping (25 ms/transition), multiple unique gas-phase fractions may be analyzed simultaneously over the course of an MS analysis. We have comprehensively demonstrated how this device performs for bottom-up proteomics experiments as well as characterized the effects of peptide charge state, mass loading, analysis time, and additional variables. We also offer recommendations for the number of CVs and which CVs to use for different lengths of experiments. Internal CV stepping experiments increase protein identifications from a single-shot experiment to >8000, from over 100 000 peptide identifications in as little as 5 h. In single-shot 4 h label-free quantitation (LFQ) experiments of a human cell line, we quantified 7818 proteins with FAIMS using intra-analysis CV switching compared to 6809 without FAIMS. Single-shot FAIMS results also compare favorably with LC fractionation experiments. Furthermore, a 6 h single-shot FAIMS experiment generates 8007 protein identifications, while four fractions analyzed for 1.5 h each produce 7776 protein identifications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Measurements of charm mixing and C P violation using D 0 → K ± π ∓ decays

Measurements of charm mixing and CP violation parameters from the decay-time-dependent ratio of D 0 →K + π – to D 0 →K – π + decay rates and the charge-conjugate ratio are reported. The analysis uses B¯→D* + μ – X, and charge-conjugate decays, where D* + →D 0 π + , and D 0 →K ∓ π ± . The pp collision data are recorded by the LHCb experiment at center-of-mass energies √s = 7 and 8 TeV, corresponding to an integrated luminosity of 3 fb –1 . The data are analyzed under three hypotheses: (i) mixing assuming CP symmetry, (ii) mixing assuming no direct CP violation in the Cabibbo-favored or doubly Cabibbo-suppressed decay amplitudes, and (iii) mixing allowing either direct CP violation and/or CP violation in the superpositions of flavor eigenstates defining the mass eigenstates. The data are also combined with those from a previous LHCb study of D 0 →Kπ decays from a disjoint set of D* + candidates produced directly in pp collisions. In all cases, the data are consistent with the hypothesis of CP symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Advances in Geologic Disposal System Modeling and Application to Crystalline Rock

The Used Fuel Disposition Campaign (UFDC) of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Fuel Cycle Technology (OFCT) is conducting research and development (R&D) on geologic disposal of used nuclear fuel (UNF) and high-level nuclear waste (HLW). Two of the high priorities for UFDC disposal R&D are design concept development and disposal system modeling (DOE 2011). These priorities are directly addressed in the UFDC Generic Disposal Systems Analysis (GDSA) work package, which is charged with developing a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media (e.g., salt, granite, clay, and deep borehole disposal). This report describes specific GDSA activities in fiscal year 2016 (FY 2016) toward the development of the enhanced disposal system modeling and analysis capability for geologic disposal of nuclear waste. The GDSA framework employs the PFLOTRAN thermal-hydrologic-chemical multi-physics code and the Dakota uncertainty sampling and propagation code. Each code is designed for massively-parallel processing in a high-performance computing (HPC) environment. Multi-physics representations in PFLOTRAN are used to simulate various coupled processes including heat flow, fluid flow, waste dissolution, radionuclide release, radionuclide decay and ingrowth, precipitation and dissolution of secondary phases, and radionuclide transport through engineered barriers and natural geologic barriers to the biosphere. Dakota is used to generate sets of representative realizations and to analyze parameter sensitivity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Advances in Geologic Disposal System Modeling and Shale Reference Cases

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Fuel Cycle Technology (OFCT) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high level nuclear waste (HLW). Two high priorities for SFWST disposal R&D are design concept development and disposal system modeling (DOE 2011, Table 6). These priorities are directly addressed in the SFWST Generic Disposal Systems Analysis (GDSA) work package, which is charged with developing a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media (e.g., salt, granite, shale, and deep borehole disposal).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Prediction of Battery Life and Behavior from Analysis of Voltage Data

A method for simulating charge and discharge characteristics of secondary batteries is discussed. The analysis utilizes a nonlinear regression technique where empirical data is computer fitted with a five coefficient nonlinear equation. The equations for charge and discharge voltage are identical except for a change of sign before the second and third terms.

Mcdermott, P. P.↗
DOE OSTI2018

Stability of Circular Orbits around a Tidal Charged Black Hole

We study the effects of the tidal charge on the equatorial circular motion of neutral test particles near a tidal charged black hole. This analysis investigates stable as well as unstable circular orbits in all possible configurations of nonextremal and extremal cases. It is found that a negative tidal charge will increase the energy and angular momentum of a neutral test particle moving around a black hole. We obtain a continuous region of stability for both extremal and nonextremal cases. We conclude that the region of stability as well as radius of last stable circular orbit shows increasing behavior for Q < 0.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗