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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Towards Mitigating Electron Beam-Induced Damage in MOFs Using Low Dose Electron Microscopy for In-Situ Room-Temperature Measurements

Metal-Organic Frameworks (MOFs) have emerged as a versatile class of materials with applications in gas storage and separation, catalysis, and drug delivery [1]. Understanding their damage mechanisms in under various environmental conditions is crucial for optimizing performance and stability [2]. This study employs a combination of Length Structural Coherence (LSC) analysis in electron scattering and Electron Energy Loss Spectroscopy (EELS) to elucidate the damage mechanisms in two representative MOFs. MIL101(Fe), and MIL101(Cr). Here, the primary objective is to reveal structural and chemical changes that occur under electron beam irradiation in Scanning Transmission Electron Microscopy (STEM), both in the pristine state and during in-situ CO and CO 2 adsorption. By combining LSC in Radial Distribution Function (RDF) analysis with EELS, comprehensive insights into the nanoscale alterations are obtained and correlated to the electron dose rate.

dos Santos, Gabriel T. [Northwestern University, E↗
NASA NTRS1974

Analog computation of auto and cross-correlation functions

For analysis of the data obtained from the cross beam systems it was deemed desirable to compute the auto- and cross-correlation functions by both digital and analog methods to provide a cross-check of the analysis methods and an indication as to which of the two methods would be most suitable for routine use in the analysis of such data. It is the purpose of this appendix to provide a concise description of the equipment and procedures used for the electronic analog analysis of the cross beam data. A block diagram showing the signal processing and computation set-up used for most of the analog data analysis is provided. The data obtained at the field test sites were recorded on magnetic tape using wide-band FM recording techniques. The data as recorded were band-pass filtered by electronic signal processing in the data acquisition systems.

Source record↗
DOE OSTI2021

Statistical analysis of non-Maxwellian electron distribution functions measured with angularly resolved Thomson scattering

Angularly resolved Thomson scattering is a novel extension of Thomson scattering, enabling the measurement of the electron velocity distribution function over many orders of magnitude. Here, details of the theoretical basis of the technique and the instrument designed for this measurement are described. Angularly resolved Thomson-scattering data from several experiments are shown with descriptions of the corresponding distribution functions. A reduced model describing the distribution function is given and used to perform a Monte Carlo analysis of the uncertainty in the measurements. The electron density and temperature were determined to a precision of 12% and 21%, respectively, on average, while all other parameters defining the distribution function were generally determined to better than 20%. It was found that these uncertainties were primarily due to limited signal to noise and instrumental effects. Furthermore, measurements with this level of precision were sufficient to distinguish between Maxwellian and non-Maxwellian distribution functions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Sol-gel preparation and characterization of Er3+ doped TiO2 luminescent nanoparticles

Highlights: • Sol-gel derived Er{sup 3+} doped TiO{sub 2} nanoparticles for potential use in solar cells and bio imaging. • Influence of Er{sup 3+} doping into TiO{sub 2} with various Er{sup 3+} concentration on structural, optical, and luminescence properties. • Down-and up-conversion luminescence behaviour of Er{sup 3+} doped titanium dioxide. - Abstract: The present paper reports on down-and up-conversion luminescence behaviour of sol-gel derived erbium doped titanium dioxide with anatase structure. Through combined structural, optical and electron microscope analysis, effective and influence of Er{sup 3+} doping into TiO{sub 2} lattice has been demonstrated using X-Ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), and optical reflectance spectra. XRD results showed only anatase diffraction peaks of TiO{sub 2}, indicating the formation of a pure anatase phase even after Er{sup 3+} incorporation into TiO{sub 2} lattice. Selected Area Electron Diffraction (SAED) confirmed that the synthesized TiO{sub 2} nanoparticles are polycrystalline in nature which correlated well with XRD findings. Upon excitation at 320 nm, two down-conversion contributions at 378 nm and 435 nm attributed to indirect band gap and defect-related emissions, respectively were observed from both pure and Er{sup 3+} doped TiO{sub 2} nanoparticles. On the other hand, strong green up-conversion emission centred at 544 nm ascribed to {sup 4}S{sub 3/2 }→ {sup 4}I{sub 15/2} transition of Er{sup 3+} was observed under 980 nm laser excitation for all Er{sup 3+} doped TiO{sub 2} samples. This result analysis brings insight on understanding of structural, optical and luminescence properties of Er{sup 3+} doped TiO{sub 2} nanoparticles for use in solar cells and bio imaging devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2012

Application of Failure Mode and Effects Analysis to Intraoperative Radiation Therapy Using Mobile Electron Linear Accelerators

Purpose: Failure mode and effects analysis (FMEA) represents a prospective approach for risk assessment. A multidisciplinary working group of the Italian Association for Medical Physics applied FMEA to electron beam intraoperative radiation therapy (IORT) delivered using mobile linear accelerators, aiming at preventing accidental exposures to the patient. Methods and Materials: FMEA was applied to the IORT process, for the stages of the treatment delivery and verification, and consisted of three steps: 1) identification of the involved subprocesses; 2) identification and ranking of the potential failure modes, together with their causes and effects, using the risk probability number (RPN) scoring system, based on the product of three parameters (severity, frequency of occurrence and detectability, each ranging from 1 to 10); 3) identification of additional safety measures to be proposed for process quality and safety improvement. RPN upper threshold for little concern of risk was set at 125. Results: Twenty-four subprocesses were identified. Ten potential failure modes were found and scored, in terms of RPN, in the range of 42-216. The most critical failure modes consisted of internal shield misalignment, wrong Monitor Unit calculation and incorrect data entry at treatment console. Potential causes of failure included shield displacement, human errors, such as underestimation of CTV extension, mainly because of lack of adequate training and time pressures, failure in the communication between operators, and machine malfunctioning. The main effects of failure were represented by CTV underdose, wrong dose distribution and/or delivery, unintended normal tissue irradiation. As additional safety measures, the utilization of a dedicated staff for IORT, double-checking of MU calculation and data entry and finally implementation of in vivo dosimetry were suggested. Conclusions: FMEA appeared as a useful tool for prospective evaluation of patient safety in radiotherapy. The application of this method to IORT lead to identify three safety measures for risk mitigation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Demonstrating 1 nm-oxide-equivalent-thickness HfO{sub 2}/InSb structure with unpinning Fermi level and low gate leakage current density

In this work, the band alignment, interface, and electrical characteristics of HfO{sub 2}/InSb metal-oxide-semiconductor structure have been investigated. By using x-ray photoelectron spectroscopy analysis, the conduction band offset of 1.78 ± 0.1 eV and valence band offset of 3.35 ± 0.1 eV have been extracted. The transmission electron microscopy analysis has shown that HfO{sub 2} layer would be a good diffusion barrier for InSb. As a result, 1 nm equivalent-oxide-thickness in the 4 nm HfO{sub 2}/InSb structure has been demonstrated with unpinning Fermi level and low leakage current of 10{sup −4} A/cm{sup −2}. The D{sub it} value of smaller than 10{sup 12} eV{sup −1}cm{sup −2} has been obtained using conduction method.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Pt 8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization

Alumina supported Pt nano clusters under hydrogen environment play a crucial role for many heterogeneous catalysis applications. As such, we conducted grand canonical genetic algorithm (GCGA) simulations for supported Pt 8 clusters in hydrogen gas environment to study the intra-cluster, cluster-support, and cluster-adsorbate interactions. Two alumina surfaces, α-Al 2 O 3 (0001) and $γ$-Al 2 O 3 (100), and two conditions T=600°C, p H2 = 0.1bar and T=25°C, p H2 = 1.0 bar were considered corresponding to low and high hydrogen chemical potential $μ$ H , respectively. The low free energy ensemble of Pt 8 is decorated by a medium (2–12 H), resp. high (20–30 H), number of hydrogen atoms under equilibrium at low $μ$ H , respectively, high $μ$ H , and undergoes different morphology transformations on the two surfaces. On α-Al2O3(0001), Pt8 is mostly 3D but very fluxional in structure at low μH and converts to open one-layer 2D structures with minimal fluxionality at high μH, whereas on $γ$-Al 2 O 3 (100), the exact opposite occurs, and Pt 8 clusters present one-layer 2D shapes at low $μ$ H and switch into compact 3D shapes under high $μ$ H , during which the Pt 8 cluster preserves moderate fluxionality. Further analysis reveals similar Pt–Pt bond length increase when switching from low $μ$ H to high $μ$ H on both surfaces, though morphology transformations are different. Electronic structure analysis shows the existence of bonding interactions between Pt and Lewis acidic Al 3+ sites along with the Pt – O interaction, which implies the necessity to include Al neighbors to discuss the electronic structure of small Pt clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The mechanism of chemisorption of hydrogen atom on graphene: Insights from the reaction force and reaction electronic flux

At the PBE-D3/cc-pVDZ level of theory, the hydrogen chemisorption on graphene was analyzed using the reaction force and reaction electronic flux (REF) theories in combination with electron population analysis. It was found that chemisorption energy barrier is mainly dominated by structural work (∼73%) associated to the substrate reconstruction whereas the electronic work is the greatest contribution of the reverse energy barrier (∼67%) in the desorption process. Moreover, REF shows that hydrogen chemisorption is driven by charge transfer processes through four electronic events taking place as H approaches the adsorbent surface: (a) intramolecular charge transfer in the adsorbent surface; (b) surface reconstruction; (c) substrate magnetization and adsorbent carbon atom develops a sp{sup 3} hybridization to form the σC-H bond; and (d) spontaneous intermolecular charge transfer to reach the final chemisorbed state.

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

Axially Symmetric Energy Analyzer Based on the Electrostatic Decapole-Cylindrical Field

A new electron-optical scheme of an axially symmetric mirror energy analyzer based on the electrostatic decapole-cylindrical field is presented. A trajectory analysis of electron motion is performed. Design features of the proposed energy analyzer scheme are described. Second-order focusing regimes for two configurations are numerically calculated: (1) a ring source and its image located in the region of the inner cylinder and (2) a point source located at a great distance from the energy analyzer on the symmetry axis. It is shown that on the basis of the decapole-cylindrical field, a long-focal-length mirror energy analyzer with “axis–ring” type focusing can be built. Instrumental functions for two regimes of the energy analyzer are given; energy resolution and luminosity of the device are estimated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Elucidating structural order and disorder phenomena in mullite-type Al{sub 4}B{sub 2}O{sub 9} by automated electron diffraction tomography

The crystal structure and disorder phenomena of Al{sub 4}B{sub 2}O{sub 9}, an aluminum borate from the mullite-type family, were studied using automated diffraction tomography (ADT), a recently established method for collection and analysis of electron diffraction data. Al{sub 4}B{sub 2}O{sub 9}, prepared by sol-gel approach, crystallizes in the monoclinic space group C2/m. The ab initio structure determination based on three-dimensional electron diffraction data from single ordered crystals reveals that edge-connected AlO{sub 6} octahedra expanding along the b axis constitute the backbone. The ordered structure (A) was confirmed by TEM and HAADF-STEM images. Furthermore, disordered crystals with diffuse scattering along the b axis are observed. Analysis of the modulation pattern implies a mean superstructure (AAB) with a threefold b axis, where B corresponds to an A layer shifted by ½a and ½c. Diffraction patterns simulated for the AAB sequence including additional stacking disorder are in good agreement with experimental electron diffraction patterns. - Graphical abstract: Crystal structure and disorder phenomena of B-rich Al{sub 4}B{sub 2}O{sub 9} studied by automated electron diffraction tomography (ADT) and described by diffraction simulation using DISCUS. - Highlights: • Ab-initio structure solution by electron diffraction from single nanocrystals. • Detected modulation corresponding mainly to three-fold superstructure. • Diffuse diffraction streaks caused by stacking faults in disordered crystals. • Observed streaks explained by simulated electron diffraction patterns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

BAYESIAN CONFIDENCE LIMITS OF ELECTRON SPECTRA OBTAINED THROUGH REGULARIZED INVERSION OF SOLAR HARD X-RAY SPECTRA

Many astrophysical observations are characterized by a single, non-repeatable measurement of a source brightness or intensity, from which we are to construct estimates for the true intensity and its uncertainty. For example, the hard X-ray count spectrum from transient events such as solar flares can be observed only once, and from this single spectrum one must determine the best estimate of the underlying source spectrum I({epsilon}), and hence the form of the responsible electron spectrum F(E). Including statistical uncertainties on the measured count spectrum yields a 'confidence strip' that delineates the boundaries of electron spectra that are consistent with the observed photon spectrum. In this short article, we point out that the expectation values of the source brightness and its variance in a given photon energy bin are in general not (as has been assumed in prior works) equal to n, the number of counts observed in that energy bin. Rather, they depend both on n and on prior knowledge of the overall photon spectrum. Using Bayesian statistics, we provide an explicit procedure and formulas for determining the 'confidence strip' (Bayesian credible region) for F(E), thus providing rigorous bounds on the intensity and shape of the accelerated electron spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Influence of electron irradiation on the structural and thermal properties of silk fibroin films

Radiation-induced changes in Bombyx mori silk fibroin (SF) films under electron irradiation were investigated and correlated with dose. SF films were irradiated in air at room temperature using 8 MeV electron beam in the range 0-150 kGy. Various properties of the irradiated SF films were studied using X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA). Electron irradiation was found to induce changes in the physical and thermal properties, depending on the radiation dose.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ferrous sulfate based low temperature synthesis and magnetic properties of nickel ferrite nanostructures

Highlights: • Novel low temperature synthesis of nickel ferrite nanoparticles. • Comparison with two conventional synthesis techniques including hydrothermal method. • XRD results confirm the formation of crystalline nickel ferrites at 110 °C. • Superparamagnetic particles with applications in drug delivery and hyperthermia. • Magnetic properties superior to conventional methods found in new process. - Abstract: We report a simple, low temperature and surfactant free co-precipitation method for the preparation of nickel ferrite nanostructures using ferrous sulfate as the iron precursor. The products obtained from this method were compared for their physical properties with nickel ferrites produced through conventional co-precipitation and hydrothermal methods which used ferric nitrate as the iron precursor. X-ray diffraction analysis confirmed the synthesis of single phase inverse spinel nanocrystalline nickel ferrites at temperature as low as 110 °C in the low temperature method. Electron microscopy analysis on the samples revealed the formation of nearly spherical nanostructures in the size range of 20–30 nm which are comparable to other conventional methods. Vibrating sample magnetometer measurements showed the formation of superparamagnetic particles with high magnetic saturation 41.3 emu/g which corresponds well with conventional synthesis methods. The spontaneous synthesis of the nickel ferrite nanoparticles by the low temperature synthesis method was attributed to the presence of 0.808 kJ mol{sup −1} of excess Gibbs free energy due to ferrous sulfate precursor.

36 MATERIALS SCIENCE↗
DOE OSTI2018

New compositional data on ancient mortars and plasters from Pompeii (Campania – Southern Italy): Archaeometric results and considerations about their time evolution

Highlights: • Mortar samples from Pompeii, with different constructive functions, were studied. • Characterization of the materials can be used for preparing compatible mortars. • Analogies and differences were highlighted to identify the constructive phases. • Preliminary statistic models were proposed to discriminate materials and constructive phases. Twenty-six samples of mortar used for various construction applications (joint mortars, floor mortars, filling mortars and plasters) were collected from different areas of the archaeological site of Pompeii (Campania - Sothern Italy). The mortar samples belong to various historical periods covering approximately 2000 years, from the 2nd century BC to the post excavation period (18–19th century). The samples were characterized employing Optical Microscopy (OM), X-ray Powder Diffraction (XRPD), X-ray Fluorescence (XRF), Electron Probe Micro Analysis (EPMA) and Raman Spectroscopy. Moreover, image analysis was carried out using JMicroVision software in order to determine the percentages of binder, macropores and aggregate, in terms of crushed ceramic fragments (cocciopesto), rock fragments and monocrystals. The application of these techniques allowed obtaining a complete chemical and minero-petrographic characterization of the samples, which may prove useful for preparing compatible repair mortars for future restoration works. The archaeometric study provided new data on the production technology of the mortars and the analogies and differences observed among the samples, enabled us to distinguish different constructive phases, thus confirming or rebutting the archaeological hypothesis on the dating of some samples. By combining compositional variables through the discriminant analysis, it was also possible to analyse the time evolution of the materials and to construct preliminary multivariate statistical models, helpful to identify the various typologies of mortars used in the different historical periods.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Microstructural analysis of recycled concrete using X-ray microtomography

This paper reports an investigation of the recycled concrete (RC) microstructure using synchrotron microtomography (μCT) at the Advanced Light Source combined with Scanning Electron Microscopy analysis. The study evaluated the influence of 50% of recycled concrete aggregate (RCA) and its water absorption compensation on the RC microstructure. The following variables were studied: a) the compressive strength of the original concrete used to obtain the RCA (40 and 80 MPa) and b) the initial moisture condition of the RCA (Saturated Surface Dry and Oven Dry). The microtomographic images showed the mixtures cast with RCA in the dry condition developed an evident macropore network surrounding the RCA particle that was not observed in the mixtures using RCA in the SSD condition. SEM images confirmed the initial findings from μCT and showed that the thickness of the interfacial transition zone in RC is in the same order of magnitude as the reference concrete.

36 MATERIALS SCIENCE↗