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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Cross-sectional scanning tunneling microscopy of antiphase boundaries in epitaxially grown GaP layers on Si(001)

In a fundamental cross-sectional scanning tunneling microscopy investigation on epitaxially grown GaP layers on a Si(001) substrate, differently oriented antiphase boundaries are studied. They can be identified by a specific contrast and by surface step edges starting/ending at the position of an antiphase boundary. Moreover, a change in the atomic position of P and Ga atoms along the direction of growth is observed in agreement with the structure model of antiphase boundaries in the GaP lattice. This investigation opens the perspective to reveal the orientation and position of the antiphase boundaries at the atomic scale due to the excellent surface sensitivity of this method.

42 ENGINEERING↗
DOE OSTI2016

In silico simulations of tunneling barrier measurements for molecular orbital-mediated junctions: A molecular orbital theory approach to scanning tunneling microscopy

A new simulator for scanning tunneling microscopy (STM) is presented based on the linear combination of atomic orbitals molecular orbital (LCAO-MO) approximation for the effective tunneling Hamiltonian, which leads to the convolution integral when applied to the tip interaction with the sample. This approach intrinsically includes the structure of the STM tip. Through this mechanical emulation and the tip-inclusive convolution model, dI/dz images for molecular orbitals (which are closely associated with apparent barrier height, ϕ{sub ap}) are reported for the first time. For molecular adsorbates whose experimental topographic images correspond well to isolated-molecule quantum chemistry calculations, the simulator makes accurate predictions, as illustrated by various cases. Distortions in these images due to the tip are shown to be in accord with those observed experimentally and predicted by other ab initio considerations of tip structure. Simulations of the tunneling current dI/dz images are in strong agreement with experiment. The theoretical framework provides a solid foundation which may be applied to LCAO cluster models of adsorbate–substrate systems, and is extendable to emulate several aspects of functional STM operation.

42 ENGINEERING↗
DOE OSTI2017

Mitigating e-beam-induced hydrocarbon deposition on graphene for atomic-scale scanning transmission electron microscopy studies

Chemical vapor deposition (CVD) grown graphene used in (scanning) transmission electron microscopy [(S)TEM] studies must undergo a careful transfer of the one-atom-thick membrane from the growth surface (typically a Cu foil) to the TEM grid. During this transfer process, the graphene invariably becomes contaminated with foreign materials. This contamination proves to be very problematic in the (S)TEM because often >95% of the graphene is obscured, and imaging of the pristine areas results in e-beam-induced hydrocarbon deposition which further acts to obscure the desired imaging area. In this article, the authors examine two cleaning techniques for CVD grown graphene that mitigate both aspects of the contamination problem: visible contamination covering the graphene, and “invisible” contamination that deposits onto the graphene under e-beam irradiation. Furthermore, the visible contamination may be removed quickly by a rapid thermal annealing to 1200 °C in situ and the invisible e-beam-deposited contamination may be removed through an Ar/O 2 annealing procedure prior to imaging in the (S)TEM.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Attenuation-based estimation of patient size for the purpose of size specific dose estimation in CT. Part II. Implementation on abdomen and thorax phantoms using cross sectional CT images and scanned projection radiograph images

Purpose: To estimate attenuation using cross sectional CT images and scanned projection radiograph (SPR) images in a series of thorax and abdomen phantoms. Methods: Attenuation was quantified in terms of a water cylinder with cross sectional area of A{sub w} from both the CT and SPR images of abdomen and thorax phantoms, where A{sub w} is the area of a water cylinder that would absorb the same dose as the specified phantom. SPR and axial CT images were acquired using a dual-source CT scanner operated at 120 kV in single-source mode. To use the SPR image for estimating A{sub w}, the pixel values of a SPR image were calibrated to physical water attenuation using a series of water phantoms. A{sub w} and the corresponding diameter D{sub w} were calculated using the derived attenuation-based methods (from either CT or SPR image). A{sub w} was also calculated using only geometrical dimensions of the phantoms (anterior-posterior and lateral dimensions or cross sectional area). Results: For abdomen phantoms, the geometry-based and attenuation-based methods gave similar results for D{sub w}. Using only geometric parameters, an overestimation of D{sub w} ranging from 4.3% to 21.5% was found for thorax phantoms. Results for D{sub w} using the CT image and SPR based methods agreed with each other within 4% on average in both thorax and abdomen phantoms. Conclusions: Either the cross sectional CT or SPR images can be used to estimate patient attenuation in CT. Both are more accurate than use of only geometrical information for the task of quantifying patient attenuation. The SPR based method requires calibration of SPR pixel values to physical water attenuation and this calibration would be best performed by the scanner manufacturer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

TH-C-BRD-11: Robustness of Pencil Beam Scanning Proton Therapy for Pelvic Cancer Under Anatomical Changes

Purpose: Pencil beam scanning (PBS) proton therapy provides excellent dosimetric benefits in pelvic cancer treatment, yet day-to-day anatomical variations in pelvic region tend to cause range uncertainties. This study evaluates the dosimetric robustness under anatomical changes for three PBS intensity-modulated proton therapy (IMPT), IMPT using worstcase robust optimization (thereafter ‘Robust IMPT’), and single-field uniform dose (SFUD), in cervical cancer treatment. Methods: IMPT, Robust IMPT, and SFUD plans using the same beam directions and the same prescription (Rx) were generated on computed tomography (CT) images acquired on the simulation day. The dose from each plan was then recomputed on CT images acquired in subsequent two to five weeks using the same protocol. The weekly CTs were registered to the planning CT based on bony anatomy. Target coverage was considered adequate on each weekly CT if dose to 99% of the internal target volume (D-ITV99%) reached at least 95% of the Rx dose. Statistical analysis was then performed on the 21 weekly CT images available for the 7 enrolled patients. Results: Statistically, IMPT was unable to maintain target coverage (mean D-ITV99% = 90.5% Rx, p = 0.004), and SFUD was able to maintain target coverage (mean D-ITV99% = 98.0% Rx, p = 0.0064), in the weeks following simulation. Robust IMPT was able to improve the robustness of IMPT significantly (p < 0.0001), though its maintenance of target coverage was not statistically significant by the 95% Rx criteria (mean D-ITV99% = 96.0%, p = 0.1677). Conclusion: During the multi-week treatment course with anatomical variations, SFUD is robust in terms of maintaining target coverage while IMPT is not. The worst-case optimized Robust IMPT, assuming ±3.5% range uncertainties, improves the robustness of IMPT under anatomical changes significantly, even though it was not designed to account for anatomical changes by mechanism.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Noninvasive differential diagnosis of dental periapical lesions in cone-beam CT scans

Purpose: This paper proposes a novel application of computer-aided diagnosis (CAD) to an everyday clinical dental challenge: the noninvasive differential diagnosis of periapical lesions between periapical cysts and granulomas. A histological biopsy is the most reliable method currently available for this differential diagnosis; however, this invasive procedure prevents the lesions from healing noninvasively despite a report that they may heal without surgical treatment. A CAD using cone-beam computed tomography (CBCT) offers an alternative noninvasive diagnostic tool which helps to avoid potentially unnecessary surgery and to investigate the unknown healing process and rate for the lesions. Methods: The proposed semiautomatic solution combines graph-based random walks segmentation with machine learning-based boosted classifiers and offers a robust clinical tool with minimal user interaction. As part of this CAD framework, the authors provide two novel technical contributions: (1) probabilistic extension of the random walks segmentation with likelihood ratio test and (2) LDA-AdaBoost: a new integration of weighted linear discriminant analysis to AdaBoost. Results: A dataset of 28 CBCT scans is used to validate the approach and compare it with other popular segmentation and classification methods. The results show the effectiveness of the proposed method with 94.1% correct classification rate and an improvement of the performance by comparison with the Simon’s state-of-the-art method by 17.6%. The authors also compare classification performances with two independent ground-truth sets from the histopathology and CBCT diagnoses provided by endodontic experts. Conclusions: Experimental results of the authors show that the proposed CAD system behaves in clearer agreement with the CBCT ground-truth than with histopathology, supporting the Simon’s conjecture that CBCT diagnosis can be as accurate as histopathology for differentiating the periapical lesions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

A “loop” shape descriptor and its application to automated segmentation of airways from CT scans

Purpose: A novel shape descriptor is presented to aid an automated identification of the airways depicted on computed tomography (CT) images. Methods: Instead of simplifying the tubular characteristic of the airways as an ideal mathematical cylindrical or circular shape, the proposed “loop” shape descriptor exploits the fact that the cross sections of any tubular structure (regardless of its regularity) always appear as a loop. In implementation, the authors first reconstruct the anatomical structures in volumetric CT as a three-dimensional surface model using the classical marching cubes algorithm. Then, the loop descriptor is applied to locate the airways with a concave loop cross section. To deal with the variation of the airway walls in density as depicted on CT images, a multiple threshold strategy is proposed. A publicly available chest CT database consisting of 20 CT scans, which was designed specifically for evaluating an airway segmentation algorithm, was used for quantitative performance assessment. Measures, including length, branch count, and generations, were computed under the aid of a skeletonization operation. Results: For the test dataset, the airway length ranged from 64.6 to 429.8 cm, the generation ranged from 7 to 11, and the branch number ranged from 48 to 312. These results were comparable to the performance of the state-of-the-art algorithms validated on the same dataset. Conclusions: The authors’ quantitative experiment demonstrated the feasibility and reliability of the developed shape descriptor in identifying lung airways.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Low-voltage scanning electron microscopy of multilayer polymer systems

The possibilities of low-voltage scanning electron microscopy for visualization of specific features of the microstructure in internal layers of multilayer polymer films are demonstrated by the example of “chitosan–polyelectrolyte complex–alginic acid” composite. The process of electron beam interaction with a sample at low electron energies is considered. The key parameters of low-voltage electron microscopy, which make it possible to increase the resolution of SEM images of polymer systems, are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Low-Voltage Scanning Electron Microscopy and Energy-Dispersive X-Ray Microanalysis of the Interface of Multilayer Polymer Composite

The morphology of the layer of polyelectrolyte complex, which is formed in the composite based on chitosan and sulfoethyl cellulose during the contact of a solution of one of them with a gel film of the other one, has been investigated by the low-voltage (≤3 kV) scanning electron microscopy. A technique for eliminating the effects related to charge accumulation on the dielectric film surface is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Magnification Effects in Scanning Tunneling Microscopy: the Role of Surface Radicals

Scanning tunneling microscopy (STM) is a fundamental tool for determination of the surface atomic structure. However, the interpretation of high resolution microscopy images is not straightforward. In this paper we provide a physical insight on how STM images can suggest atomic locations which are distinctively different from the real ones. This effect should be taken into account when interpreting high-resolution STM images obtained on surfaces with directional bonds. It is shown that spurious images are formed in the presence of polarized surface radicals showing a pronounced angle with respect to the surface normal. This issue has been overlooked within the surface science community and often disregarded by experimentalists working with STM. Without loss of generality, we illustrate this effect by the magnification observed for pentamer-like structures on (110), (113), and (331) surfaces of silicon and germanium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Response function and optimum configuration of semiconductor backscattered-electron detectors for scanning electron microscopes

A new highly efficient design for semiconductor detectors of intermediate-energy electrons (1-50 keV) for application in scanning electron microscopes is proposed. Calculations of the response function of advanced detectors and control experiments show that the efficiency of the developed devices increases on average twofold, which is a significant positive factor in the operation of modern electron microscopes in the mode of low currents and at low primary electron energies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Simulation of Properties of Images with Atomic Resolution in a Scanning Probe Microscope

A method for simulation of images in a scanning probe microscope (SPM) using simultaneous wavelet transform and median filtering is proposed. The wavelet transform with the fourth-order Daubechies kernel is used. Such a transform makes it possible to select details of different scales in the SPM image and, hence, study fractal properties of surfaces. Simulation is used to show that ultrahigh (atomic) resolution is possible in SPM provided that the size of the contact region in the probe–sample system is significantly greater than atomic size and the lattice atoms are randomly distributed. Contrast inversion in the SPM images in the multiscan mode is interpreted.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Determination of the Thicknesses and Visualization of Ion-Exchange Waveguides in Glasses by Scanning Electron Microscopy

The formation of a surface layer with silver and sodium concentration gradients in K8-grade glasses as a result of ion exchange is demonstrated by scanning electron microscopy (SEM) and electron probe X-ray microanalysis. The silver ions enriched layers with different thicknesses, depending on the duration of the ion exchange from the silver melt, are visualized in the secondary electrons mode. SEM data on the thickness of the silver enriched layer are in good agreement with the results of calculation from the diffusion equation for silver in glass. The dependence of the silver concentration on the diffusion depth is obtained using elemental composition mapping over the glass cross section. The presence of a layer with a silver concentration gradient leads to formation of a gradient waveguide. Discrete peaks in silver concentration profiles, caused by specific features of mutual diffusion of sodium and silver ions in glasses, are found.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Quantitative Scanning Transmission Electron Microscopy for Materials Science: Imaging, Diffraction, Spectroscopy, and Tomography

Scanning transmission electron microscopy (STEM) is one of the most powerful characterization tools in materials science research. Due to instrumentation developments such as highly coherent electron sources, aberration correctors, and direct electron detectors, STEM experiments can examine the structure and properties of materials at length scales of functional devices and materials down to single atoms. STEM encompasses a wide array of flexible operating modes, including imaging, diffraction, spectroscopy, and 3D tomography experiments. This review outlines many common STEM experimental methods with a focus on quantitative data analysis and simulation methods, especially those enabled by open source software. The hope is to introduce both classic and new experimental methods to materials scientists and summarize recent progress in STEM characterization. The review also discusses the strengths and weaknesses of the various STEM methodologies and briefly considers promising future directions for quantitative STEM research.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Scanning Electron Microscopy and X-Ray Diffraction Analysis of Tank 18 Samples

The F-Area Tank Farm (FTF) Performance Assessment (PA) utilizes waste speciation in the waste release model used in the FTF fate and transport modeling. The waste release modeling associated with the residual plutonium in Tank 18 has been identified as a primary contributor to the Tank 18 dose uncertainty. In order to reduce the uncertainty related to plutonium in Tank 18, a better understanding of the plutonium speciation in the Tank 18 waste (including the oxidation state and stoichiometry) is desired. Savannah River National Laboratory (SRNL) utilized Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD) to analyze Tank 18 samples to provide information on the speciation of plutonium in the waste material. XRD analysis of the Tank 18 samples did not identify any plutonium mineral phases in the samples. These indicates the crystalline mineral phases of plutonium are below the detection limits of the XRD method or that the plutonium phase(s) lack long range order and are present as amorphous or microcrystalline solids. SEM analysis of the Tank 18 samples did locate particles containing plutonium. The plutonium was found as small particles, usually <1 μm but ranging up to several micrometers in diameter, associated with particles of an iron matrix and at low concentration in other elemental matrices. This suggests the plutonium has an affinity for the iron matrix. Qualitatively, the particles of plutonium found in the SEM analysis do not appear to account for all of the plutonium in the sample based on concentrations determined from the chemical analysis of the Tank 18 samples. This suggests that plutonium is also distributed throughout the solids in low concentrations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Deployment of ARM Aerial Facility Scanning Mobility Particle Sizer Field Campaign Report

Atmospheric aerosols influence global climate by scattering and absorbing sunlight (direct effects) and by changing the microphysical structure, lifetime, and coverage of clouds (indirect effects). While it is widely accepted that aerosol indirect effects cool the Earth-atmosphere system by increasing cloud reflectivity and coverage, the magnitudes of the indirect effects are poorly quantified. One key aerosol property for understanding aerosol indirect effects is the ability of aerosol particles to form cloud droplets at atmospheric relevant supersaturations—i.e., cloud condensation Nuclei (CCN) activity. For particles consisting of typical atmospheric inorganic compounds, their CCN activity is well understood and can be effectively predicted using Köhler theory based on physicochemical properties of the solute, such as its mass, molar volume, and activity coefficient. However, atmospheric aerosols often consist of hundreds of organic species, which can contribute ~20-90% to the total fine aerosol mass. Depending on their properties, organic species can significantly influence the ability of aerosol particles to act as CCN and form cloud droplets. This project focuses on the CCN activity of secondary organic aerosol (SOA) compounds formed from key biogenic volatile organic compounds (VOCs) under representative conditions, and the relationship between the hygroscopicity and composition of organic aerosols. The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility Aerial Facility (AAF) scanning mobility particles sizer (SMPS) was deployed during a ~ 2-week intensive measurement campaign, taking place February 10-February 23, 2016 at the Pacific Northwest National Laboratory (PNNL) Environmental Simulation Chamber. The SMPS was operated with a CCN counter (CCNc). Aerosol particles were first classified by the differential mobility analyzer inside the SMPS; the classified aerosol will then be simultaneously characterized by a condensation particle counter (CPC) (part of the SMPS) and the CCNc.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Deployment of ARM Aerial Facility Scanning Mobility Particle Sizer Field Campaign Report

Atmospheric aerosols influence global climate by scattering and absorbing sunlight (direct effects) and by changing the microphysical structure, lifetime, and coverage of clouds (indirect effects). While it is widely accepted that aerosol indirect effects cool the Earth-atmosphere system by increasing cloud reflectivity and coverage, the magnitudes of the indirect effects are poorly quantified. One key aerosol property for understanding aerosol indirect effects is the ability of aerosol particles to form cloud droplets at atmospheric relevant supersaturations—i.e., cloud condensation Nuclei (CCN) activity. For particles consisting of typical atmospheric inorganic compounds, their CCN activity is well understood and can be effectively predicted using Köhler theory based on physicochemical properties of the solute, such as its mass, molar volume, and activity coefficient. However, atmospheric aerosols often consist of hundreds of organic species, which can contribute ~20-90% to the total fine aerosol mass. Depending on their properties, organic species can significantly influence the ability of aerosol particles to act as CCN and form cloud droplets. This project focuses on the CCN activity of secondary organic aerosol (SOA) compounds formed from key biogenic volatile organic compounds (VOCs) under representative conditions, and the relationship between the hygroscopicity and composition of organic aerosols. The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility Aerial Facility (AAF) scanning mobility particles sizer (SMPS) was deployed during a ~ 2-week intensive measurement campaign, taking place February 10-February 23, 2016 at the Pacific Northwest National Laboratory (PNNL) Environmental Simulation Chamber. The SMPS was operated with a CCN counter (CCNc). Aerosol particles were first classified by the differential mobility analyzer inside the SMPS; the classified aerosol will then be simultaneously characterized by a condensation particle counter (CPC) (part of the SMPS) and the CCNc.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Scanning Radar Investigations to Characterize Cloud and Precipitation Processes for ASR

The project conducted investigations in the following areas related to scanning radar retrievals: a) Development for Cloud drizzle separation studies for the ENA site based on Doppler Spectra b) Advanced radar retrieval for the SGP site c) Characterizing falling snow using multifrequency dual-polarization measurements d) BAECC field experiment. More details about these investigations can be found within each subtopic within the report.

58 GEOSCIENCES↗