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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Magnetocaloric Effect in La{sub 0.67}Ba{sub 0.33}Mn{sub 0.95}Ni{sub 0.05}O{sub 3} Manganite Near Room Temperature

We report the structural, magnetic, and magnetocaloric properties of La{sub 0.67}Ba{sub 0.33}Mn{sub 0.95}Ni{sub 0.05}O{sub 3} (LBMNO) manganite, synthesized by sol-gel method. X-ray diffraction (XRD) analysis using Rietveld refinement showed that this sample crystallizes in the rhombohedral structure with R 3-bar c space group. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM) analysis were used to confirm the structure formation of the LBMNO material. The temperature dependent magnetization data revealed a transition from ferromagnetic (FM) to paramagnetic (PM) phase at T{sub C}= 308 K. Using Arrott plots, it was found that the transition is of a second order. From the measured magnetization data as a function of magnetic applied field, the magnetic entropy change (−ΔS{sub M}) and the relative cooling power RCP have been determined. In the vicinity of T{sub C} (−ΔS{sub M}) reached a maximum value of 2.15 J kg{sup − 1} K{sup − 1} and a large RCP value of about 299 J kg{sup − 1} under 5 T{sup − 1}. This magnetocaloric effect has been analyzed by considering the Landau theory of magnetic phase transition. Consequently, our sample can be considered a promising material in room-temperature magnetic refrigeration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis of anatase and rutile TiO{sub 2} nanostructures from natural ilmenite

Nanostructure anatase and rutile type TiO{sub 2} were synthesized from dissolution roasted ilmenite from natural ilmenite sand as the starting materials. Anatase TiO{sub 2} and rutile TiO{sub 2} (high crystallinity) with the diameters of 20–100 nm were obtained by calcined soluble ilmenite sand produced by leaching process. Calcinations of the xerogel TiO{sub 2} from liquor products were conducted for 4 hours at temperature of 450 °C. The samples were characterized by XRD (X-ray diffraction), STA (simultant thermal analysis), TEM (Transmission Electron Microscopy), and BET surface area. Titania Anatase-Rutile form as a mixture were produced by titania slag with the hydrolysis product. While, in another route, complete titania anatase phase was produced through hydrolysis and condensation steps of leach liquors. This synthesis methods provide a simple route to fabricate nanostructure TiO{sub 2} from low cost material.

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

X-ray fluorescence analysis of Ge{sub 1–x}Se{sub x}, As{sub 1–x}Se{sub x}, and Ge{sub 1–x–y}As{sub y}Se{sub x} glasses using electronic excitation

X-ray fluorescence analysis with fluorescence excitation by an electron beam with an energy of 30 kV is applied to determine the germanium, arsenic, and selenium contents in Ge{sub 1–x}Se{sub x}, As{sub 1–x}Se{sub x}, and Ge{sub 1–x–y}As{sub y}Se{sub x} glassy alloys. Using calibration dependences, the quantitative composition of the glasses is determined with an accuracy of ±0.0002 for parameters x and y in a surface layer ∼0.1 µm deep.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Triacetic Acid Lactone and 4-Hydroxycoumarin as Bioprivileged Molecules for the Development of Performance-Advantaged Organic Corrosion Inhibitors

Biomass conversion, especially the development of bioprivileged molecules utilizing integration of biological and chemical processes, has shown potential to produce novel chemicals with enhanced properties. Here, organic corrosion inhibitors based on triacetic acid lactone and 4-hydroxycoumarin have been synthesized in good yield and tested for corrosion inhibition on mild steel in both sulfuric acid and hydrochloric acid. Sixteen novel corrosion inhibitors derived from triacetic acid lactone and 4-hydroxycoumarin were efficiently synthesized and twelve of them showed high corrosion inhibition efficiency as confirmed by electrochemical impedance spectroscopy (giving values greater than 78%) and polarization analysis. While triacetic acid lactone-based compounds showed good corrosion inhibition performance, the 4-hydroxycoumarin-based compounds showed further improvement in corrosion inhibition performance. Scanning electron microscopy (SEM) analysis of the mild steel coupon in the presence of selected inhibitors showed that corrosion was significantly diminished, with complementary X-ray photoelectron spectroscopy (XPS) analysis suggesting the inhibitor molecules strongly adsorbed on the steel surface. Quantum chemical calculations showed poor correlation between calculated parameters and the performance of these molecules. This large set of corrosion inhibitors containing a dozen promising corrosion inhibitors is useful for future rational design of corrosion inhibitors. In conclusion, the results demonstrate a new direction for the development of bioprivileged molecules.

09 BIOMASS FUELS↗
DOE OSTI2025

Quantitative Determination of Electronic Effects in Free Radicals through Open-Shell Hammett Substituent Constants

Hammett substituent constants (σ), which quantify the electronic effects of functional groups, are widely used for predicting the properties of organic compounds and investigating reaction mechanisms. While these values have been obtained for a wide range of closed-shell substituents, measurements of analogous values for open-shell substituents are rare due to challenges associated with their short lifetimes. Here, in this report, we developed a combined experimental and computational approach for quantifying the electronic properties of open-shell substituents based on changes in nitrile vibrational frequencies (ν(C≡N)). By coupling pulse radiolysis and time-resolved infrared spectroscopy (PR-TRIR), we measured ν(C≡N) IR bands of 30 para - and meta -substituted benzonitriles bearing C-, N-, and S-centered radicals. A linear scaling relationship was obtained between these experimental values and values obtained from DFT calculations. Using these computed values, two different Hammett constants, σ m , and σ p + , were determined for a series of C-, N-, O-, S-, Si-, and B-centered radicals. The differences between σm and σp+ values enable the separate evaluation of inductive and resonance effects in these open-shell substituents. The results suggest that there are three classes of radicals: one is electron withdrawing (σ m , σ p + > 0), one is electron donating (σm, σp+ < 0), and one is inductively withdrawing but resonance donating (σ m > 0, σ p + < 0). Our study represents a general approach to the analysis of the electronic properties of open-shell species and has potential applications in a wide range of molecular processes involving free radical intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Absolute cross sections for electronic excitation of pyrimidine by electron impact

We measured differential cross sections for electron-impact electronic excitation of pyrimidine, both as a function of electron energy up to 18 eV, and of scattering angle up to 180°. The emphasis of the present work is on recording detailed excitation functions revealing resonances in the excitation process. The differential cross sections were summed to obtain integral cross sections. These are compared to results of R-matrix calculations, which successfully reproduce both the magnitude of the cross section and the major resonant features. Comparison of the experiment to the calculated contributions of different symmetries to the integral cross section permitted assignment of several features to specific core-excited resonances. Comparison of the resonant structure of pyrimidine with that of benzene revealed pronounced similarities and thus a dominant role of π–π{sup ∗} excited states and resonances. Electron energy loss spectra were measured as a preparation for the cross section measurements and vibrational structure was observed for some of the triplet states. A detailed analysis of the electronic excited states of pyrimidine is also presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A quantitative imaging framework for lithium morphology: Linking deposition uniformity to cycle stability in lithium metal batteries

Characterizing the morphology of lithium (Li) is crucial for developing long-lasting lithium metal batteries. It is well established that more uniform Li deposition correlates with better cell performance. Li morphology is often characterized through qualitative analysis of scanning electron microscopy (SEM) images; however, there are no widely accepted metrics to quantitatively describe deposition uniformity. Here, we propose a framework to quantify uniformity through SEM image analysis via the index of dispersion (ID) metric, which is defined and presented in the context of Li metal batteries. We also explore experimental impacts of sampling protocols onIDmeasurements. Our results demonstrate that theIDmetric is highly sensitive to variations in deposition uniformity, including the coexistence and uniformity of multiple morphologies, uniformity within a single morphology, and particle size distribution uniformity. Furthermore, it is demonstrated that uniformity, as measured by theID, can be related to the average potential of Li||Li symmetric cells over cycling. Higher capacity cycling leads to more pronounced changes in bothIDand average cell potential. Local minima/maxima are found consistently in bothIDand average cell potential immediately before cells short-circuit, which we suggest may indicate a collapse of the microstructure prior to failure. We put forward this framework as a more robust approach to quantify Li deposition uniformity, advancing the development of Li metal batteries that are safer and longer lasting.

Science & Technology - Other Topics↗
NASA NTRS2002

Radiation Exposure Effects and Shielding Analysis of Carbon Nanotube Materials

Carbon nanotube materials promise to be the basis for a variety of emerging technologies with aerospace applications. Potential applications to human space flight include spacecraft shielding, hydrogen storage, structures and fixtures and nano-electronics. Appropriate risk analysis on the properties of nanotube materials is essential for future mission safety. Along with other environmental hazards, materials used in space flight encounter a hostile radiation environment for all mission profiles, from low earth orbit to interplanetary space.

Wilkins, Richard↗
DOE OSTI2012

EPID-based verification of the MLC performance for dynamic IMRT and VMAT

Purpose: In advanced radiotherapy treatments such as intensity modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT), verification of the performance of the multileaf collimator (MLC) is an essential part of the linac QA program. The purpose of this study is to use the existing measurement methods for geometric QA of the MLCs and extend them to more comprehensive evaluation techniques, and to develop dedicated robust algorithms to quantitatively investigate the MLC performance in a fast, accurate, and efficient manner. Methods: The behavior of leaves was investigated in the step-and-shoot mode by the analysis of integrated electronic portal imaging device (EPID) images acquired during picket fence tests at fixed gantry angles and arc delivery. The MLC was also studied in dynamic mode by the analysis of cine EPID images of a sliding gap pattern delivered in a variety of conditions including different leaf speeds, deliveries at fixed gantry angles or in arc mode, and changing the direction of leaf motion. The accuracy of the method was tested by detection of the intentionally inserted errors in the delivery patterns. Results: The algorithm developed for the picket fence analysis was able to find each individual leaf position, gap width, and leaf bank skewness in addition to the deviations from expected leaf positions with respect to the beam central axis with sub-pixel accuracy. For the three tested linacs over a period of 5 months, the maximum change in the gap width was 0.5 mm, the maximum deviation from the expected leaf positions was 0.1 mm and the MLC skewness was up to 0.2 Degree-Sign . The algorithm developed for the sliding gap analysis could determine the velocity and acceleration/deceleration of each individual leaf as well as the gap width. There was a slight decrease in the accuracy of leaf performance with increasing leaf speeds. The analysis results were presented through several graphs. The accuracy of the method was assessed as 0.01 mm for both the gap size and peak position determination. Conclusions: This study provides fast, easy, and accurate test methods for routine QA of the MLC performance and helps in faster troubleshooting of MLC problems in both IMRT and VMAT treatments.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1974

Collecting efficiency of a cylindrical mirror electron energy analyzer with preretarding lens

The electron collecting efficiency of a cylindrical mirror energy analyzer incorporating retardation of the electrons prior to analysis has been determined over the range 0 to 30 eV by two methods. The first method requires the use of a vacuum ultraviolet monochromator to produce monoenergetic electrons of different energies; the second method involves measuring the energy-brightness relationship of the retarding optics and should be applicable to any deflection analyzer with pre-retarding optics. The results of the two methods are compared and the limitations of the latter method are discussed.

Gardner, J. L.↗
NASA NTRS1975

Collecting efficiency of a cylindrical mirror electron energy analyzer with pre-retarding lens

The electron collecting efficiency of a cylindrical mirror energy analyzer incorporating retardation of the electrons prior to analysis has been determined over the range 0 to 30 eV by two methods. The first method requires the use of a vacuum ultraviolet monochromator to produce monoenergetic electrons of different energies; the second method involves measuring the energy-brightness relationship of the retarding optics and should be applicable to any deflection analyzer with pre-retarding optics. The results of the two methods are compared and the limitations of the latter method are discussed.

Gardner, J. L.↗
NASA NTRS2015

Final Results of Shuttle MMOD Impact Database

The Shuttle Hypervelocity Impact Database documents damage features on each Orbiter thought to be from micrometeoroids (MM) or orbital debris (OD). Data is divided into tables for crew module windows, payload bay door radiators and thermal protection systems along with other miscellaneous regions. The combined number of records in the database is nearly 3000. Each database record provides impact feature dimensions, location on the vehicle and relevant mission information. Additional detail on the type and size of particle that produced the damage site is provided when sampling data and definitive spectroscopic analysis results are available. Guidelines are described which were used in determining whether impact damage is from micrometeoroid or orbital debris impact based on the findings from scanning electron microscopy chemical analysis. Relationships assumed when converting from observed feature sizes in different shuttle materials to particle sizes will be presented. A small number of significant impacts on the windows, radiators and wing leading edge will be highlighted and discussed in detail, including the hypervelocity impact testing performed to estimate particle sizes that produced the damage.

Hyde, J. L.↗
NASA NTRS1988

Double-probe potential measurements near the Spacelab 2 electron beam

As part of the Spacelab 2 mission the plasma diagnostics package (PDP) was released from the shuttle as a free-flying satellite. The PDP carried a quasi-static electric field instrument which made differential voltage measurements between two floating probes. At various times during the free flight, an electron beam was ejected from the shuttle. Large differential voltages between the double probes were recorded in association with the electron beam. However, analysis indicates that these large signals are probably not caused by ambient electric fields. Instead, they can be explained by considering three effects: shadowing of the probes from streaming electrons by the PDP chassis, crossing of the PDP wake by the probes, and spatial gradients in the fluxes of energetic electrons reaching the probes. Plasma measurements on the PDP show that energetic electrons exist in a region 20 m wide and up to at least 170 m downstream from the electron beam. At 80 or more meters downstream from the beam, the double probe measurements show that the energetic electron flux is opposite to the injection direction, as would be expected for a secondary returning electron beam produced by scattering of the primary electron beam.

Steinberg, J. T.↗
DOE OSTI2017

Dipole anisotropy in cosmic electrons and positrons: inspection on local sources

The cosmic electrons and positrons have been measured with unprecedented statistics up to several hundreds GeV, thus permitting to explore the role that close single sources can have in shaping the flux at different energies. In the present analysis, we consider electrons and positrons in cosmic rays to be produced by spallations of hadron fluxes with the interstellar medium, by a smooth Supernova Remnant (SNR) population, by all the ATNF catalog pulsars, and by few discrete, local SNRs. We test several source models on the e {sup ++} e {sup −} and e {sup +} AMS-02 flux data. For the configurations compatible with the data, we compute the dipole anisotropy in e {sup ++} e {sup −}, e {sup +}, e {sup +}/ e {sup −} from single sources. Our study includes a dedicated analysis to the Vela SNR. We show that Fermi -LAT present data on dipole anisotropy of e {sup ++} e {sup −} start to explore some of the models for the Vela SNR selected by AMS-02 flux data. We also investigate how the observed anisotropy could result from a combination of local sources. Our analysis shows that the search of anisotropy in the lepton fluxes up to TeV energies can be an interesting tool for the inspection of properties of close SNRs, complementary to the high precision flux data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Magnetic property enhancement and characterization of nano-structured barium ferrite by mechano-thermal treatment

In this research a mixture of barium ferrite and graphite powders was milled in a planetary ball mill and then heat treated in vacuum to produce BaFe{sub 12}O{sub 19}/Fe{sub 3}O{sub 4} and Fe/Fe{sub 3}O{sub 4} magnetic nano-composites. The effects of milling time and heat treatment temperature on the characteristics of powder mixture were investigated by X-ray diffraction analysis, vibrating sample magnetometer, transmission electron microscopy and Moessbauer spectroscopy. Phase analysis results showed that Fe{sub 2}O{sub 3} in barium ferrite partially reduced to Fe{sub 3}O{sub 4} during milling; hence, the reduced phase and remaining barium ferrite formed a nano-composite of BaFe{sub 12}O{sub 19}/Fe{sub 3}O{sub 4} after 20 h of milling. Heat treatment of the 40 h milled samples at 750-900 Degree-Sign C resulted in formation of Fe containing nano-composite. Magnetic measurements indicated that the coercivity of 267.92 Oe for 40 h milled sample decreased to 22.57 Oe by heat treatment at 900 Degree-Sign C, while its saturation magnetization increased from 31.56 to 169.43 emu/g due to the formation of Fe nano-crystallites. - Highlights: Black-Right-Pointing-Pointer Barium hexaferrite and graphite were treated mechano-thermally. Black-Right-Pointing-Pointer After 20 h milling, a nano-composite of BaFe{sub 12}O{sub 19}/Fe{sub 3}O{sub 4} formed. Black-Right-Pointing-Pointer Heat treatment of milled sample resulted in formation of Fe/Fe{sub 3}O{sub 4} composite. Black-Right-Pointing-Pointer Increasing heat treatment temperature results in higher saturation magnetization. Black-Right-Pointing-Pointer The milled and heat treated samples were nano-crystalline.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Investigation of trap states in high Al content AlGaN/GaN high electron mobility transistors by frequency dependent capacitance and conductance analysis

Trap states in Al{sub 0.55}Ga{sub 0.45}N/GaN Schottky-gate high-electron-mobility transistors (S-HEMTs) and Al{sub 2}O{sub 3}/Al{sub 0.55}Ga{sub 0.45}N/GaN metal-oxide-semiconductor HEMTs (MOS-HEMTs) were investigated with conductance method in this paper. Surface states with time constant of (0.09–0.12) μs were found in S-HEMTs, and electron tunneling rather than emission was deemed to be the dominant de-trapping mechanism due to the high electric field in high Al content barrier. The density of surface states evaluated in S-HEMTs was (1.02–4.67)×10{sup 13} eV{sup −1}·cm{sup −2}. Al{sub 2}O{sub 3} gate insulator slightly reduced the surface states, but introduced low density of new traps with time constant of (0.65–1.29) μs into MOS-HEMTs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

AtomAI framework for deep learning analysis of image and spectroscopy data in electron and scanning probe microscopy

Over the past several decades, electron and scanning probe microscopes have become critical components of condensed matter physics, materials science and chemistry research. At the same time, the infrastructure for establishing a connection between microscopy observations and materials behaviour over a broader parameter space is lacking. In this work, we introduce AtomAI, an open-source software package bridging instrument-specific Python libraries, deep learning and simulation tools into a single ecosystem. AtomAI allows direct applications of deep neural networks for atomic and mesoscopic image segmentation converting image and spectroscopy data into class-based local descriptors for downstream tasks such as statistical and graph analysis. For atomically resolved imaging data, the output is types and positions of atomic species, with an option for subsequent refinement. AtomAI further allows the implementation of a broad range of image and spectrum analysis functions, including invariant variational autoencoders for disentangling structural factors of variation and im2spec type of encoder–decoder models for mapping structure–property relationships. Finally, our framework allows seamless connection to the first principles modelling with a Python interface on the inferred atomic positions.

36 MATERIALS SCIENCE↗