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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Observation of crystallization and characterizations on thiourea cadmium iodide: A semi-organic optical material

Graphical abstract: - Highlights: • Thiourea cadmium iodide (TCI) was grown by slow evaporation solution technique. • Morphology and growth rate of the grown compound are determined with the help of inverted microscope. • Optical band gap has been determined. • Microstructure analysis has been reported. • Electrical study has been reported and discussed. - Abstract: In this work, the single crystals of thiourea cadmium iodide were grown by slow evaporation solution technique in two different ratios 2:1 and 1:1. During the formation of their single crystals the morphological features and its live growth process were recorded with the help of inverted microscope. Structural studies of the grown crystals have been carried out by powder X-ray diffraction to confirm the crystal system and vibrational modes by Raman spectroscopy. The optical energy band gaps were investigated through UV–vis spectroscopy study. The surface morphology of the grown single crystals was analyzed by using Scanning Electron Microscope and thermal analysis was carried out by using thermogravimetric analysis. The electrical properties were also studied as a function of frequency and the obtained results are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis, characterization, and hydrogen uptake studies of magnesium nanoparticles by solution reduction method

Graphical abstract: X-ray diffraction (XRD) pattern of magnesium nanoparticles synthesized by solution reduction method with and without TOPO. - Highlights: • Simple and convenient method of preparing Mg nanoparticles. • Characterized by XRD, SEM, FESEM and TEM. • Trioctylphosphine oxide offers a greater control over the size of the particles. • Hydrogen uptake of samples at different temperatures and pressure of 4.5 MPa. - Abstract: Facile and simple, surfactant-mediated solution reduction method was used to synthesize monodisperse magnesium nanoparticles. Little amount of magnesium oxide nanoparticles were also formed due to the presence of TOPO and easy oxidation of magnesium, eventhough, all precautions were taken to avoid oxidation of the sample. Precise size control of particles was achieved by carefully varying the concentration ratio of two different types of surfactants, – trioctylphosphine oxide and hexadecylamine. Recrystallized magnesium nanoparticle samples with and without TOPO were analyzed by X-ray diffraction, scanning electron microscope, field emission scanning electron microscope, and transmission electron microscope. The peak diameters of particles were estimated from size distribution analysis of the morphological data. The particles synthesized in the presence and absence of TOPO found to have diameters 46.5 and 34.8 nm, respectively. This observed dependence of particle size on the presence of TOPO offers a convenient method to control the particle size by simply using appropriate surfactant concentrations. Exceptional enhancement in hydrogen uptake and kinetics in synthesized magnesium nanoparticles as compared to commercial magnesium sample was due to the smaller particle size and improved morphology. Overall hydrogen uptake not affected by the little variation in particle size with and without TOPO.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Study of magneto-optical characteristics of cerium incorporated yttrium iron garnet films

Highlights: • Ce:YIG films deposited by sol–gel method. • XRD results shows crystallite size of films decreases by Ce concentrations. • Morphological studies indicate of smooth and connected surface for all films. • Ce ions increased Faraday rotation of YIG films. - Abstract: In the current study, yttrium iron garnet films incorporated with cerium with the general formula of Ce{sub x}Y{sub 3-x}Fe{sub 5}O{sub 12} and values of (x = 0, 0.1, 0.3, 0.5, 0.7) were prepared through sol–gel method using spin coating technique and heating treatment on quartz substrates. Prepared samples were studied to check physical characteristics. X-ray diffraction analysis (XRD), scanning electron microscope (SEM), atomic force microscope (AFM) and vibrating sample magnetometer (VSM) were applied to study the impact of Ce impurities on the structural characteristic, surface morphology of films and magnetic properties, respectively. Faraday rotation values of samples were measured at the wavelength of 632 nm. The image of the atomic force microscope (AFM) of the prepared samples shows that the films have a continuous and smooth surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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 OSTI2024

A new paradigm in electron microscopy: Automated microstructure analysis utilizing a dynamic segmentation convolutional neutral network

Over the past half century, the transmission electron microscope enabled insight into the fundamental arrangements and structures of materials. State-of-the-art electron microscopes can acquire large image datasets across multiple imaging modalities. However, the manual annotation process for feature or defect quantification may not be feasible with the modern microscope. Convolutional neural networks emerged to characterize individual microstructural features from an image in a cost-effective, consistent manner. However, many of these neural network approaches rely on thousands to hundreds of thousands of manual annotations of each feature type across hundreds of images to train the network for adequate performance. This work focused on the development and application of a pixel-wise defect detection machine-learning dynamic segmentation convolutional neural network with associated automated acquisition and postprocessing to identify microstructural features rapidly and quantitatively from a small initial dataset incorporating multiple imaging modes. The approach was demonstrated for characterization of superalloy 718 from both single image acquisition on multiple detectors to in-situ evolution captured with a single detector on a standard desktop computer to demonstrate the low barrier to entry required for widespread adoption. Pixel-by-pixel class identification was excellent with strong identification of chemically distinct phases, structurally distinct phases, and defect structures, thus demonstrating the new paradigm of machine learning-assisted characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Development of a Reference Database for Beta-Delayed Neutron Emission

Beta-delayed neutron emission is important for nuclear structure and astrophysics as well as for reactor applications. Significant advances in nuclear experimental techniques in the past two decades have led to a wealth of new measurements that remain to be incorporated in the databases. In this work, we report on a coordinated effort to compile and evaluate all the available β-delayed neutron emission data. The different measurement techniques have been assessed and the data have been compared with semi-microscopic and microscopic-macroscopic models. The new microscopic database has been tested against aggregate total delayed neutron yields, time-dependent group parameters in 6-and 8-group re-presentation, and aggregate delayed neutron spectra. New recommendations of macroscopic delayed-neutron data for fissile materials of interest to applications are also presented. The new Reference Database for Beta-Delayed Neutron Emission Data is available online.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Stochastic and coarse-grained two-dimensional modeling of directional particle movement

In this work, we study the evolution of interacting groups of pedestrians in two-dimensional geometries. We introduce a microscopic stochastic model that includes floor fields modeling the global flow of individual groups as well as local interaction rules. From this microscopic model we derive an analytically-tractable system of conservation laws that governs the evolution of the macroscopic pedestrian densities. Numerical simulations show good agreement between the system of conservation laws and the microscopic model, though the latter is slightly more diffusive. We conclude by deriving second-order corrections to the system of conservation laws.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Hybrid electric buses fuel consumption prediction based on real-world driving data

Estimating fuel consumption by hybrid diesel buses is challenging due to its diversified operations and driving cycles. Here, long-term transit bus monitoring data were utilized to empirically compare fuel consumption of diesel and hybrid buses under various driving conditions. Artificial neural network (ANN) based high-fidelity microscopic (1 Hz) and mesoscopic (5–60 min) fuel consumption models were developed for hybrid buses. The microscopic model contained 1 Hz driving, grade, and environment variables. The mesoscopic model aggregated 1 Hz data into 5 to 60-minute traffic pattern factors and predicted average fuel consumption over its duration. The prediction results show mean absolute percentage errors of 1–2% for microscopic models and 5–8% for mesoscopic models. The data were partitioned by different driving speeds, vehicle engine demand, and road grade to investigate their impacts on prediction performance.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2017

A novel electron mirror pulse compressor

An electron mirror-based pulse compressor design has been developed for improving the temporal resolution of dynamic/ultrafast transmission electron microscopes and ultrafast electron diffraction cameras. The improvement will enable electron microscopes and diffraction cameras to better resolve the dynamics of reactions in the areas of solid state physics, chemistry, and biology. The design utilizes a combination of mirror optics and a magnetic beam separator, which exploits the symmetry inherent in reversing the electron trajectory in the mirror in order to compress the pulse. This system can also simultaneously correct the spherical and chromatic aberration of the objective lens for improved spatial resolution. For pulsed experiments with a practical bunch charge, the correction of the chromatic aberration coefficient counters the spread in the electron energies induced by the space charge of the pulse to make possible the probing of the sample with high spatial resolution. The pulse compressor can accommodate pulses with a range of electron densities and energy spreads. Additionally, it is designed to fit into both ultrafast electron diffraction cameras and dynamic/ultrafast transmission electron microscopes. Consequently, this instrument is suitable for enhancing the study of the structure, composition, and bonding states of new materials at ultrafast time scales.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Relative merits and limiting factors for x-ray and electron microscopy of thick, hydrated organic materials

Electron and x-ray microscopes allow one to image the entire, unlabeled structure of hydrated materials at a resolution well beyond what visible light microscopes can achieve. However, both approaches involve ionizing radiation, so that radiation damage must be considered as one of the limits to imaging. Drawing upon earlier work, we describe here a unified approach to estimating the image contrast (and thus the required exposure and corresponding radiation dose) in both x-ray and electron microscopy. This approach accounts for factors such as plural and inelastic scattering, and (in electron microscopy) the use of energy filters to obtain so-called "zero loss" images. As expected, it shows that electron microscopy offers lower dose for specimens thinner than about 1 mu m (such as for studies of macromolecules, viruses, bacteria and archaebacteria, and thin sectioned material), while x-ray microscopy offers superior characteristics for imaging thicker specimen such as whole eukaryotic cells, thick-sectioned tissues, and organs. The required radiation dose scales strongly as a function of the desired spatial resolution, allowing one to understand the limits of live and frozen hydrated specimen imaging. Lastly, we consider the factors limiting x-ray microscopy of thicker materials, suggesting that specimens as thick as a whole mouse brain can be imaged with x-ray microscopes without significant image degradation should appropriate image reconstruction methods be identified.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Progress in ultrahigh energy resolution EELS

Electron energy loss spectroscopy (EELS) in the electron microscope has progressed remarkably in the last five years. Advances in monochromator and spectrometer design have improved the energy resolution attainable in a scanning transmission electron microscope (STEM) to 4.2 meV, and new applications of ultrahigh energy resolution EELS have not lagged behind. They include vibrational spectroscopy in the electron microscope, a field that did not exist 5 years ago but has now grown very substantially. Notable examples include vibrational mapping with about 1 nm spatial resolution, analyzing the momentum dependence of vibrational states in very small volumes, determining the local temperature of the sample from the ratio of energy gains to energy losses, detecting hydrogen and analyzing its bonding, probing radiation-sensitive materials with minimized damage by aloof spectroscopy and leap-frog scanning, and identifying biological molecules with different isotopic substitutions. As a result, we review the instrumentation advances, provide a summary of key applications, and chart likely future directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

An historical note on the cell theory

The development of the microscope was a precondition for the discovery of cells. This instrument magnifies objects too small to be seen by the naked eye. In 1673, the Dutch botanist, Anton van Leeuwenhoek, made a more advanced microscope and reported seeing a myriad of microscopic “animalcules” in water. He also made further studies of red blood cells and sperm cells. Most studies that followed were done on the easily studied plant tissues. Plant cells, rigidly encased in their cell walls, were ideal to study in situ. The cell theory proposes that nucleated cells are the basic structure of plants and animals. This concept was observed and published separately, first by the botanist, Matthias Schleiden, in 1838, and then by the zoologist, Theodor Schwann, in 1839. Their work demonstrated that cells form the basic unit of life of plants and animals. Rudolf Virchow concluded that all living organisms are the sum of single cellular units and that cells multiply.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Advanced Characterization of Fuel-cladding Chemical Interaction between U-10Zr Fuel and HT9 Cladding Tested in Fast Flux Test Facility

Fuel cladding chemical interaction (FCCI) can greatly accelerate the cladding failure. However, due to the limited space in a fuel cladding assembly, it is historically challenging to gain an mechanistical understanding of the formation mechanism of FCCI and its influence on fuel and cladding performance. With the imminent need to qualify U-10Zr based metallic fuel cladded by HT-9 for advanced reactors demonstration project, it is of vital importance to use advanced characterization method to study FCCI in a unprecedent detailed manner and gain better mechanism understanding of FCCI. Mechanistic Fuel Failure (MFF) series of prototypic fuel elements irradiated in FFTF [1, 2] provides the best samples to study FCCI since the MFF-series assemblies had an axial fuel height the same as proposed length by industry partners. Jason et al. [3] has performed preliminary post-irradiation examination on a MFF fuel pin sample, which was extracted from the HT9 cladded U-10at.%Zr MFF-3 pin MFF-3 pin (#193045) at an axial location of X/L = 0.98. This sample has a peak burnup of 5.7 at.% and peak inner cladding temperature (PICT) of around 615 °C during in-core testing. Scanning electron microscope examination has identified visible FCCI region on more than half of the HT9 circumference [3]. The most striking feature are grain boundary attacking by apparently lanthanides (Lns) rich phase. However, SEM cannot provide accurate assessment of phase and concentration of grain boundary phases and prevented a better understanding of the formation mechanism of such attach. This study, by pairing transmission electron microscope (TEM) characterization and atom probe tomography (APT) techniques with in-situ micro-tensile testing in scanning electron microscope (SEM), aims at gaining in-depth understanding on the formed FCCI region. The identified FCCI region roughly consists of multilayers as illustrated in Figure 1 (c). The main findings are: (1) layer-B shows observable lanthanides (Lns) infiltration along grain boundaries and mechanical softening due to FCCI- and irradiation-induced microstructural and microchemistry changes, particularly the recovery of martensitic lath structure and dissolution of pre-existing M23C6 together with the formation of coarsened Laves phases, (Fe, Cr)2(Mo, W); (2) layer-C is Fe depleted but Lns significantly enriched, becoming very brittle; (3) layer-D is mainly composed of UFe2 and Lns; (4) three FCCI-induced intermetallic U-Fe-Zr phases, ? (Fe0.5Zr0.32U0.18), e (Fe0.3Zr0.4U0.3), ? (Fe0.06Zr0.23U0.71), were identified near layer-E; (5) the ? (Fe0.5Zr0.32U0.18) phase was characterized to be a face centered cubic (FCC) crystal structure. These results will help to better understanding the governing mechanism of FCCI and facilitating the development of theoretical model for assessing the performance of metallic fuel and cladding integrity.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Solvent-Induced Shift of Spectral Lines in Polar–Polarizable Solvents

Solvent-induced shift of optical transition lines is traditionally described by the Lippert- McRae equation given in terms of the Onsager theory for dipole solvation. It splits the overall shift into the equilibrium solvation by induced dipoles and the reaction field by the permanent dipoles in equilibrium with the chromophore in the ground state. Here we have reconsidered this classical problem from the perspective of microscopic solvation theories. A microscopic solvation functional is derived and continuum solvation is consistently introduced by taking the limit of zero wavevector in the reciprocal-space solvation susceptibility functions. We show that the phenomenological expression for the reaction field of permanent dipoles in the Lippert-McRae equation is not consistent with the microscopic theory. The main deficiency of the Lippert- McRae equation equation is the use of additivity of the response by permanent and induced dipoles of the liquid. An alternative closed-form equation for the spectral shift is derived. Its continuum limit allows a new, non-additive functionality for the solvent-induced shift in terms of the high-frequency and static dielectric constants. Finally, the main qualitative outcome of the theory is a significantly weaker dependence of the spectral shift on the polarizability of the solvent than predicted by the Lippert-McRae formula.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Nonlocal Effect of Percolated Particle Networks on Viscoelasticity of Polymer–Filler Nanocomposites: A Mesoscale Simulation Study

With nanoparticles (NPs) as fillers, polymer nanocomposites (PNCs) usually exhibit enhanced mechanical properties. However, a direct connection between the microscopic structural relaxation and macroscopic mechanical properties of PNCs remains to be established. To investigate the micro-to-macro connection, we develop a mesoscale model, in which the NPbridging polymer chains are represented by a dynamic bonded interaction between NPs, and the bulk polymer matrix is implicitly modeled by overdamped Langevin dynamics. Extensive equilibrium simulations are performed to quantify the microscopic dynamics of model PNCs. Systematic analyses of modified Rouse dynamics, dynamic structure factor, and relaxation modulus uncover that the microscopic relaxation dynamics of PNCs are significantly decelerated across different length scales because of nonlocal effects of percolated particle networks a phenomenon that has not been adequately captured in prior simulation studies. We find that NPvolume- fraction and NP-bonding-energy barrier are the two critical variables that affect bulk viscoelasticity the most. The proposed mesoscale model is versatile and provides a powerful framework for studying structure−property relations of different PNCs.

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

Deformation Twinning of a Silver Nanocrystal under High Pressure

Within a high-pressure environment, crystal deformation is controlled by complex processes such as dislocation motion, twinning, and phase transitions, which change materials' microscopic morphology and alter their properties. Understanding a crystal's response to external stress provides a unique opportunity for rational tailoring of its functionalities. It is very challenging to track the strain evolution and physical deformation from a single nanoscale crystal under high-pressure stress. Here, we report an in situ three-dimensional mapping of morphology and strain evolutions in a single-crystal silver nanocube within a high-pressure environment using the Bragg Coherent Diffractive Imaging (CDI) method. We observed a continuous lattice distortion, followed by a deformation twining process at a constant pressure. The ability to visualize stress-introduced deformation of nanocrystals with high spatial resolution and prominent strain sensitivity provides an important route for interpreting and engineering novel properties of nanomaterials.

coherent diffractive imaging↗
DOE OSTI2019

Tracer-Guided Characterization of Dominant Pore Networks and Implications for Permeability and Wettability in Shale

Pore network characterization is an important aspect in unconventional reservoir evaluation. While application of the technique of scanning electron microscope (SEM) brings substantial advances in pore characterization in shale, understanding the connected pore network that dominates flow in shale samples is limited by using SEM alone because of small fields of view and lack of views of connectivity in 3D. In this research, a technique integrating tracer imbibition, micro-computed tomography (CT) imaging, and SEM imaging was developed to provide a solution for multiscale imaging in shale. Tracer imbibition indicates pore connectivity; micro-CT imaging after tracer imbibition thus provides an overview of the connected pore network at the millimeter scale. With guidance from micro-CT images after tracer imbibition, a more accurate and detailed characterization of pore systems and related mineralogy can be conducted using higher-resolution SEM. The method was applied to five samples from Wolfcamp and Eagle Ford Formations. Results reveal the effectiveness of the integrated method by showing different patterns of distribution of the dominant pore network and different controlling mineralogy. Dominant porosity, estimated from grayscale analyses, displays a good correlation with permeability. This result indicates that dominant porosity is more relevant to permeability than is total porosity. Results from imbibition tests are also compared with that from contact angle measurement, and important implications on wettability can be obtained. The integrated method thus has the capacity to link the dominant pore network and wettability with microscale to submicroscale mineralogy, which can help better understand the pore systems and fluid flow in shale. Plain Language Summary Pore network characterization and wettability are two important aspects in unconventional reservoir evaluation and are crucial to understanding the nature of shale oil or gas storage and production. Here, a new technique integrating tracer imbibition, micro-computed tomography imaging, and scanning electron microscope imaging was developed for a more representative and effective pore characterization in shale. This integrated technique can provide a direct visualization of the dominant pore network in a millimeter-scale sample and, at the same time, can provide a guided pore network characterization under nanoscale resolution. This method thus can generate results that are more representative and more accurate in a more efficient way compared with the traditional scanning electron microscope method. The new technique can also reveal the local wettability in microscale. High-resolution analysis on the tracer imbibition or fluid displacement and mineralogy can shed light on the local wettability and the controlling mineralogy in shale.

58 GEOSCIENCES↗
DOE OSTI2026

Deep generative learning of magnetic frustration in artificial spin ice from magnetic force microscopy images

Increasingly large datasets of microscopic images with nanoscale resolution facilitate the development of machine learning methods to identify and analyze subtle physical phenomena embedded within the images. In this work, microscopic images of honeycomb lattice spin-ice samples serve as datasets from which we automate the calculation of net magnetic moments and directional orientations of spin-ice configurations. In the first stage of our workflow, machine learning models are trained to accurately predict magnetic moments and directions within spin-ice structures. Variational Autoencoders (VAEs), an emergent unsupervised deep learning technique, are employed to generate high-quality synthetic magnetic force microscopy (MFM) images and extract latent feature representations, thereby reducing experimental and segmentation errors. The second stage of proposed methodology enables precise identification and prediction of frustrated vertices and nanomagnetic segments, effectively correlating structural and functional aspects of microscopic images. This facilitates the design of optimized spin-ice configurations with controlled frustration patterns, enabling potential on-demand synthesis.

36 MATERIALS SCIENCE↗