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Sample records for 3d electron diffraction

  1. Atomic-Resolution 3D Electron Microscopy with Dynamic Diffraction

    SciTech Connect

    O'Keefe, Michael A.; Downing, Kenneth H.; Wenk, Hans-Rudolf; Meisheng, Hu

    2005-02-15

    Achievement of atomic-resolution electron-beam tomography will allow determination of the three-dimensional structure of nanoparticles (and other suitable specimens) at atomic resolution. Three-dimensional reconstructions will yield ''section'' images that resolve atoms overlapped in normal electron microscope images (projections), resolving lighter atoms such as oxygen in the presence of heavier atoms, and atoms that lie on non-lattice sites such as those in non-periodic defect structures. Lower-resolution electron microscope tomography has been used to produce reconstructed 3D images of nanoparticles [1] but extension to atomic resolution is considered not to be straightforward. Accurate three-dimensional reconstruction from two-dimensional projections generally requires that intensity in the series of 2-D images be a monotonic function of the specimen structure (often specimen density, but in our case atomic potential). This condition is not satisfied in electron microscopy when specimens with strong periodicity are tilted close to zone-axis orientation and produce ''anomalous'' image contrast because of strong dynamic diffraction components. Atomic-resolution reconstructions from tilt series containing zone-axis images (with their contrast enhanced by strong dynamical scattering) can be distorted when the stronger zone-axis images overwhelm images obtained in other ''random'' orientations in which atoms do not line up in neat columns. The first demonstrations of 3-D reconstruction to atomic resolution used five zone-axis images from test specimens of staurolite consisting of a mix of light and heavy atoms [2,3]. Initial resolution was to the 1.6{angstrom} Scherzer limit of a JEOL-ARM1000. Later experiments used focal-series reconstruction from 5 to 10 images to produce staurolite images from the ARM1000 with resolution extended beyond the Scherzer limit to 1.38{angstrom} [4,5]. To obtain a representation of the three-dimensional structure, images were obtained

  2. 3D printed diffractive terahertz lenses.

    PubMed

    Furlan, Walter D; Ferrando, Vicente; Monsoriu, Juan A; Zagrajek, Przemysław; Czerwińska, Elżbieta; Szustakowski, Mieczysław

    2016-04-15

    A 3D printer was used to realize custom-made diffractive THz lenses. After testing several materials, phase binary lenses with periodic and aperiodic radial profiles were designed and constructed in polyamide material to work at 0.625 THz. The nonconventional focusing properties of such lenses were assessed by computing and measuring their axial point spread function (PSF). Our results demonstrate that inexpensive 3D printed THz diffractive lenses can be reliably used in focusing and imaging THz systems. Diffractive THz lenses with unprecedented features, such as extended depth of focus or bifocalization, have been demonstrated. PMID:27082335

  3. Diffractive optical element for creating visual 3D images.

    PubMed

    Goncharsky, Alexander; Goncharsky, Anton; Durlevich, Svyatoslav

    2016-05-01

    A method is proposed to compute and synthesize the microrelief of a diffractive optical element to produce a new visual security feature - the vertical 3D/3D switch effect. The security feature consists in the alternation of two 3D color images when the diffractive element is tilted up/down. Optical security elements that produce the new security feature are synthesized using electron-beam technology. Sample optical security elements are manufactured that produce 3D to 3D visual switch effect when illuminated by white light. Photos and video records of the vertical 3D/3D switch effect of real optical elements are presented. The optical elements developed can be replicated using standard equipment employed for manufacturing security holograms. The new optical security feature is easy to control visually, safely protected against counterfeit, and designed to protect banknotes, documents, ID cards, etc. PMID:27137530

  4. Layered nano-gratings by electron beam writing to form 3-level diffractive optical elements for 3D phase-offset holographic lithography.

    PubMed

    Yuan, Liang Leon; Herman, Peter R

    2015-12-21

    A multi-level nanophotonic structure is a major goal in providing advanced optical functionalities as found in photonic crystals and metamaterials. A three-level nano-grating phase mask has been fabricated in an electron-beam resist (ma-N) to meet the requirement of holographic generation of a diamond-like 3D nanostructure in photoresist by a single exposure step. A 2D mask with 600 nm periodicity is presented for generating first order diffracted beams with a preferred π/2 phase shift on the X- and Y-axes and with sufficient 1(st) order diffraction efficiency of 3.5% at 800 nm wavelength for creating a 3D periodic nanostructure in SU-8 photoresist. The resulting 3D structure is anticipated to provide an 8% complete photonic band gap (PBG) upon silicon inversion. A thin SiO2 layer was used to isolate the grating layers and multiple spin-coating steps served to planarize the final resist layer. A reversible soft coating (aquaSAVE) was introduced to enable SEM inspection and verification of each insulating grating layer. This e-beam lithographic method is extensible to assembling multiple layers of a nanophotonic structure. PMID:26568395

  5. Layered nano-gratings by electron beam writing to form 3-level diffractive optical elements for 3D phase-offset holographic lithography

    NASA Astrophysics Data System (ADS)

    Yuan, Liang (Leon); Herman, Peter R.

    2015-11-01

    A multi-level nanophotonic structure is a major goal in providing advanced optical functionalities as found in photonic crystals and metamaterials. A three-level nano-grating phase mask has been fabricated in an electron-beam resist (ma-N) to meet the requirement of holographic generation of a diamond-like 3D nanostructure in photoresist by a single exposure step. A 2D mask with 600 nm periodicity is presented for generating first order diffracted beams with a preferred π/2 phase shift on the X- and Y-axes and with sufficient 1st order diffraction efficiency of 3.5% at 800 nm wavelength for creating a 3D periodic nanostructure in SU-8 photoresist. The resulting 3D structure is anticipated to provide an 8% complete photonic band gap (PBG) upon silicon inversion. A thin SiO2 layer was used to isolate the grating layers and multiple spin-coating steps served to planarize the final resist layer. A reversible soft coating (aquaSAVE) was introduced to enable SEM inspection and verification of each insulating grating layer. This e-beam lithographic method is extensible to assembling multiple layers of a nanophotonic structure.

  6. The impact of novel 3D diffraction optics development

    NASA Astrophysics Data System (ADS)

    Firsov, Alexander; Brzhezinskaya, Maria; Loechel, Heike; Siewert, Frank; Erko, Alexei

    2013-05-01

    Dedicated diffractive VUV- and X-ray optical elements are essential for future developments in synchrotron instrumentation and methods like e.g. time-resolved spectroscopy. The quality of optical components like gratings or diffractive focusing elements matters directly to the results achievable. On the other hand the availability of such optical components is very limited at present. In this contribution we report on the development of new methods of time-resolved x-ray spectroscopy based on novel 3D diffractive optical elements (DOE) with a unique combination of properties. Such optical elements are of highest interest for application in modern synchrotron facilities like Free Electron Lasers (FELs) as well as for laboratory facilities with high harmonic generators (HHG). The project includes theoretical work as well as the development of a dedicated technology, including metrology, to manufacture such type of optics for applications in atomic, molecular and condensed matter physics. The here discussed type of optics was successfully implemented for soft-X-ray-application at the femto-second-slicing beamline at BESSY II storage ring of the Helmholtz Zentrum Berlin. DOE are expected to be important components in beamlines at upcoming new high brilliance X-ray sources such as FELs. The application of DOE`s allows to reduce the number of optical elements in a beamline. Thus allow to provide the highest possible transmission and flux as well as preserving the unique properties of FEĹs, like wave-front and coherence.

  7. 3D diffraction tomography for visualization of contrast media

    NASA Astrophysics Data System (ADS)

    Pai, Vinay M.; Stein, Ashley; Kozlowski, Megan; George, Ashvin; Kopace, Rael; Bennett, Eric; Auxier, Julie A.; Wen, Han

    2011-03-01

    In x-ray CT, the ability to selectively isolate a contrast agent signal from the surrounding soft tissue and bone can greatly enhance contrast visibility and enable quantification of contrast concentration. We present here a 3D diffraction tomography implementation for selectively retaining volumetric diffraction signal from contrast agent particles that are within a banded size range while suppressing the background signal from soft tissue and bone. For this purpose, we developed a CT implementation of a single-shot x-ray diffraction imaging technique utilizing gratings. This technique yields both diffraction and absorption images from a single grating-modulated projection image through analysis in the spatial frequency domain. A solution of iron oxide nano-particles, having very different x-ray diffraction properties from tissue, was injected into ex vivo chicken wing and in vivo rat specimens respectively and imaged in a 3D diffraction CT setup. Following parallel beam reconstruction, it is noted that while the soft tissue, bone and contrast media are observed in the absorption volume reconstruction, only the contrast media is observed in the diffraction volume reconstruction. This 3D diffraction tomographic reconstruction permits the visualization and quantification of the contrast agent isolated from the soft tissue and bone background.

  8. A pseudo-3D approach based on electron backscatter diffraction and backscatter electron imaging to study the character of phase boundaries between Mg and long period stacking ordered phase in a Mg–2Y–Zn alloy

    SciTech Connect

    Afshar, Mehran Zaefferer, Stefan

    2015-03-15

    In Mg–2 at.% Y–1 at.% Zn alloys, the LPSO (Long Period Stacking Ordered) phase is important to improve mechanical properties of the material. The aim of this paper is to present a study on the phase boundary character in these two-phase alloys. Using EBSD pattern analysis it was found that the 24R structure is the dominant LPSO phase structure in the current alloy. The phase boundary character between the Mg matrix and the LPSO phase was investigated using an improved pseudo-3D EBSD (electron backscatter diffraction) technique in combination with BSE or SE (backscatter or secondary electron) imaging. A large amount of very low-angle phase boundaries was detected. The (0 0 0 2) plane in the Mg matrix which is parallel to the (0 0 0 24) plane in the LPSO phase was found to be the most frequent plane for these phase boundaries. This plane is supposed to be the habit plane of the eutectic co-solidification of the Mg matrix and the LPSO phase. - Highlights: • It is shown that for the investigated alloy the LPSO phase has mainly 24R crystal structure. • A new method is presented which allows accurate determination of the 5-parameter grain or phase boundary character. • It is found that the low-angle phase boundaries appearing in the alloy all have basal phase boundary planes.

  9. Ultrafast electron diffraction from aligned molecules

    SciTech Connect

    Centurion, Martin

    2015-08-17

    The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

  10. Tracking 3D Picometer-Scale Motions of Single Nanoparticles with High-Energy Electron Probes

    PubMed Central

    Ogawa, Naoki; Hoshisashi, Kentaro; Sekiguchi, Hiroshi; Ichiyanagi, Kouhei; Matsushita, Yufuku; Hirohata, Yasuhisa; Suzuki, Seiichi; Ishikawa, Akira; Sasaki, Yuji C.

    2013-01-01

    We observed the high-speed anisotropic motion of an individual gold nanoparticle in 3D at the picometer scale using a high-energy electron probe. Diffracted electron tracking (DET) using the electron back-scattered diffraction (EBSD) patterns of labeled nanoparticles under wet-SEM allowed us to super-accurately measure the time-resolved 3D motion of individual nanoparticles in aqueous conditions. The highly precise DET data corresponded to the 3D anisotropic log-normal Gaussian distributions over time at the millisecond scale. PMID:23868465

  11. Lensfree diffractive tomography for the imaging of 3D cell cultures

    PubMed Central

    Momey, F.; Berdeu, A.; Bordy, T.; Dinten, J.-M.; Marcel, F. Kermarrec; Picollet-D’hahan, N.; Gidrol, X.; Allier, C.

    2016-01-01

    New microscopes are needed to help realize the full potential of 3D organoid culture studies. In order to image large volumes of 3D organoid cultures while preserving the ability to catch every single cell, we propose a new imaging platform based on lensfree microscopy. We have built a lensfree diffractive tomography setup performing multi-angle acquisitions of 3D organoid culture embedded in Matrigel and developed a dedicated 3D holographic reconstruction algorithm based on the Fourier diffraction theorem. With this new imaging platform, we have been able to reconstruct a 3D volume as large as 21.5 mm3 of a 3D organoid culture of prostatic RWPE1 cells showing the ability of these cells to assemble in 3D intricate cellular network at the mesoscopic scale. Importantly, comparisons with 2D images show that it is possible to resolve single cells isolated from the main cellular structure with our lensfree diffractive tomography setup. PMID:27231600

  12. Lensfree diffractive tomography for the imaging of 3D cell cultures.

    PubMed

    Momey, F; Berdeu, A; Bordy, T; Dinten, J-M; Marcel, F Kermarrec; Picollet-D'hahan, N; Gidrol, X; Allier, C

    2016-03-01

    New microscopes are needed to help realize the full potential of 3D organoid culture studies. In order to image large volumes of 3D organoid cultures while preserving the ability to catch every single cell, we propose a new imaging platform based on lensfree microscopy. We have built a lensfree diffractive tomography setup performing multi-angle acquisitions of 3D organoid culture embedded in Matrigel and developed a dedicated 3D holographic reconstruction algorithm based on the Fourier diffraction theorem. With this new imaging platform, we have been able to reconstruct a 3D volume as large as 21.5 mm (3) of a 3D organoid culture of prostatic RWPE1 cells showing the ability of these cells to assemble in 3D intricate cellular network at the mesoscopic scale. Importantly, comparisons with 2D images show that it is possible to resolve single cells isolated from the main cellular structure with our lensfree diffractive tomography setup. PMID:27231600

  13. A 3-D numerical study of pinhole diffraction to predict the accuracy of EUV point diffraction interferometry

    SciTech Connect

    Goldberg, K.A. |; Tejnil, E.; Bokor, J. |

    1995-12-01

    A 3-D electromagnetic field simulation is used to model the propagation of extreme ultraviolet (EUV), 13-nm, light through sub-1500 {Angstrom} dia pinholes in a highly absorptive medium. Deviations of the diffracted wavefront phase from an ideal sphere are studied within 0.1 numerical aperture, to predict the accuracy of EUV point diffraction interferometersused in at-wavelength testing of nearly diffraction-limited EUV optical systems. Aberration magnitudes are studied for various 3-D pinhole models, including cylindrical and conical pinhole bores.

  14. Photoemission spectroscopy and X-ray diffraction analysis of 3D topological and Kondo insulators

    NASA Astrophysics Data System (ADS)

    Shibayev, Pavel

    2015-03-01

    The advantage of studying 3D topological insulators (TIs), compounds that have attracted the attention of many in the condensed matter field, is the ability for their existence at room temperature and no magnetic fields, allowing both for resolving their band structure via angle-resolved photoemission spectroscopy (ARPES) and understanding electrical transport and other properties via X-ray diffraction (XRD) and point-contact spectroscopy (PCS). A comprehensive quantitative analysis of Bi2Se3, a 3D TI, was carried out using these methods. The Bi2Se3\\ crystals were synthesized in-house at Princeton University. A first-principles calculation based on density functional theory, DFT, was performed using the Abinit software. The band structure of the crystal was then resolved via ARPES at the Advanced Light Source in LBNL, resulting in a surprisingly stark and clear single Dirac cone. A large band gap was confirmed, suggesting an increased potential for applications. In contrast, Kondo insulators are found in rare-earth based materials with f-electron degrees of freedom. Photon energy dependent dispersion relationships and temperature dependence studies were performed on a Kondo candidate CeB6 via ARPES, showing an even number of Dirac cones and a non-TI behavior. Analysis of I-V characteristics through PCS will follow, in addition to characterization via Bruker XRD for both compounds. Research group led by Professor M. Zahid Hasan (Princeton University).

  15. Stability and electronic properties of 3D covalent organic frameworks.

    PubMed

    Lukose, Binit; Kuc, Agnieszka; Heine, Thomas

    2013-05-01

    Covalent organic frameworks (COFs) are a class of covalently linked crystalline nanoporous materials, versatile for nanoelectronic and storage applications. 3D COFs, in particular, have very large pores and low mass densities. Extensive theoretical studies of their energetic and mechanical stability, as well as their electronic properties, have been carried out for all known 3D COFs. COFs are energetically stable and their bulk modulus ranges from 3 to 20 GPa. Electronically, all COFs are semiconductors with band gaps corresponding to the HOMO-LUMO gaps of the building units. PMID:23212235

  16. Electron Diffraction Using Transmission Electron Microscopy

    PubMed Central

    Bendersky, Leonid A.; Gayle, Frank W.

    2001-01-01

    Electron diffraction via the transmission electron microscope is a powerful method for characterizing the structure of materials, including perfect crystals and defect structures. The advantages of electron diffraction over other methods, e.g., x-ray or neutron, arise from the extremely short wavelength (≈2 pm), the strong atomic scattering, and the ability to examine tiny volumes of matter (≈10 nm3). The NIST Materials Science and Engineering Laboratory has a history of discovery and characterization of new structures through electron diffraction, alone or in combination with other diffraction methods. This paper provides a survey of some of this work enabled through electron microscopy.

  17. Beat the diffraction limit in 3D direct laser writing in photosensitive glass.

    PubMed

    Bellec, Matthieu; Royon, Arnaud; Bousquet, Bruno; Bourhis, Kevin; Treguer, Mona; Cardinal, Thierry; Richardson, Martin; Canioni, Lionel

    2009-06-01

    Three-dimensional (3D) femtosecond laser direct structuring in transparent materials is widely used for photonic applications. However, the structure size is limited by the optical diffraction. Here we report on a direct laser writing technique that produces subwavelength nanostructures independently of the experimental limiting factors. We demonstrate 3D nanostructures of arbitrary patterns with feature sizes down to 80 nm, less than one tenth of the laser processing wavelength. Its ease of implementation for novel nanostructuring, with its accompanying high precision will open new opportunities for the fabrication of nanostructures for plasmonic and photonic devices and for applications in metamaterials. PMID:19506684

  18. Correlated electron pseudopotentials for 3d-transition metals

    SciTech Connect

    Trail, J. R. Needs, R. J.

    2015-02-14

    A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc − Fe, constructed from atomic quantum chemical calculations that include an accurate description of correlated electrons. Dissociation energies, molecular geometries, and zero-point vibrational energies of small molecules are compared with all electron results, with all quantities evaluated using coupled cluster singles doubles and triples calculations. The CEPPs give better results in the correlated-electron calculations than Hartree-Fock-based pseudopotentials available in the literature.

  19. Correlated electron pseudopotentials for 3d-transition metals

    NASA Astrophysics Data System (ADS)

    Trail, J. R.; Needs, R. J.

    2015-02-01

    A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc - Fe, constructed from atomic quantum chemical calculations that include an accurate description of correlated electrons. Dissociation energies, molecular geometries, and zero-point vibrational energies of small molecules are compared with all electron results, with all quantities evaluated using coupled cluster singles doubles and triples calculations. The CEPPs give better results in the correlated-electron calculations than Hartree-Fock-based pseudopotentials available in the literature.

  20. Femtosecond single-electron diffraction

    PubMed Central

    Lahme, S.; Kealhofer, C.; Krausz, F.; Baum, P.

    2014-01-01

    Ultrafast electron diffraction allows the tracking of atomic motion in real time, but space charge effects within dense electron packets are a problem for temporal resolution. Here, we report on time-resolved pump-probe diffraction using femtosecond single-electron pulses that are free from intra-pulse Coulomb interactions over the entire trajectory from the source to the detector. Sufficient average electron current is achieved at repetition rates of hundreds of kHz. Thermal load on the sample is avoided by minimizing the pump-probe area and by maximizing heat diffusion. Time-resolved diffraction from fibrous graphite polycrystals reveals coherent acoustic phonons in a nanometer-thick grain ensemble with a signal-to-noise level comparable to conventional multi-electron experiments. These results demonstrate the feasibility of pump-probe diffraction in the single-electron regime, where simulations indicate compressibility of the pulses down to few-femtosecond and attosecond duration. PMID:26798778

  1. Analytical description of 3D optical pulse diffraction by a phase-shifted Bragg grating.

    PubMed

    Golovastikov, Nikita V; Bykov, Dmitry A; Doskolovich, Leonid L; Soifer, Victor A

    2016-08-22

    Diffraction of a three-dimensional (3D) spatiotemporal optical pulse by a phase-shifted Bragg grating (PSBG) is considered. The pulse diffraction is described in terms of signal transmission through a linear system with a transfer function determined by the reflection or transmission coefficient of the PSBG. Resonant approximations of the reflection and transmission coefficients of the PSBG as functions of the angular frequency and the in-plane component of the wave vector are obtained. Using these approximations, a hyperbolic partial differential equation (Klein-Gordon equation) describing a general class of transformations of the incident 3D pulse envelope is derived. A solution to this equation is found in the form of a convolution integral. The presented rigorous simulation results fully confirm the proposed theoretical description. The obtained results may find application in the design of new devices for spatiotemporal pulse shaping and for optical information processing and analog optical computing. PMID:27557167

  2. Keyhole electron diffractive imaging (KEDI).

    PubMed

    De Caro, Liberato; Carlino, Elvio; Vittoria, Fabio Alessio; Siliqi, Dritan; Giannini, Cinzia

    2012-11-01

    Electron diffractive imaging (EDI) relies on combining information from the high-resolution transmission electron microscopy image of an isolated kinematically diffracting nano-particle with the corresponding nano-electron diffraction pattern. Phase-retrieval algorithms allow one to derive the phase, lost in the acquisition of the diffraction pattern, to visualize the actual atomic projected potential within the specimen at sub-ångström resolution, overcoming limitations due to the electron lens aberrations. Here the approach is generalized to study extended crystalline specimens. The new technique has been called keyhole electron diffractive imaging (KEDI) because it aims to investigate nano-regions of extended specimens at sub-ångström resolution by properly confining the illuminated area. Some basic issues of retrieving phase information from the EDI/KEDI measured diffracted amplitudes are discussed. By using the generalized Shannon sampling theorem it is shown that whenever suitable oversampling conditions are satisfied, EDI/KEDI diffraction patterns can contain enough information to lead to reliable phase retrieval of the unknown specimen electrostatic potential. Hence, the KEDI method has been demonstrated by simulations and experiments performed on an Si crystal cross section in the [112] zone-axis orientation, achieving a resolution of 71 pm. PMID:23075611

  3. Electron diffraction by plasmon waves

    NASA Astrophysics Data System (ADS)

    García de Abajo, F. J.; Barwick, B.; Carbone, F.

    2016-07-01

    An electron beam traversing a structured plasmonic field is shown to undergo diffraction with characteristic angular patterns of both elastic and inelastic outgoing electron components. In particular, a plasmonic grating (e.g., a standing wave formed by two counterpropagating plasmons in a thin film) produces diffraction orders of the same parity as the net number of exchanged plasmons. Large diffracted beam fractions are predicted to occur for realistic plasmon intensities in attainable geometries due to a combination of phase and amplitude changes locally imprinted on the passing electron wave. Our study opens vistas in the study of multiphoton exchanges between electron beams and evanescent optical fields with unexplored effects related to the transversal component of the electron wave function.

  4. Recent progress in printed 2/3D electronic devices

    NASA Astrophysics Data System (ADS)

    Klug, Andreas; Patter, Paul; Popovic, Karl; Blümel, Alexander; Sax, Stefan; Lenz, Martin; Glushko, Oleksandr; Cordill, Megan J.; List-Kratochvil, Emil J. W.

    2015-09-01

    New, energy-saving, efficient and cost-effective processing technologies such as 2D and 3D inkjet printing (IJP) for the production and integration of intelligent components will be opening up very interesting possibilities for industrial applications of molecular materials in the near future. Beyond the use of home and office based printers, "inkjet printing technology" allows for the additive structured deposition of photonic and electronic materials on a wide variety of substrates such as textiles, plastics, wood, stone, tiles or cardboard. Great interest also exists in applying IJP in industrial manufacturing such as the manufacturing of PCBs, of solar cells, printed organic electronics and medical products. In all these cases inkjet printing is a flexible (digital), additive, selective and cost-efficient material deposition method. Due to these advantages, there is the prospect that currently used standard patterning processes can be replaced through this innovative material deposition technique. A main issue in this research area is the formulation of novel functional inks or the adaptation of commercially available inks for specific industrial applications and/or processes. In this contribution we report on the design, realization and characterization of novel active and passive inkjet printed electronic devices including circuitry and sensors based on metal nanoparticle ink formulations and the heterogeneous integration into 2/3D printed demonstrators. The main emphasis of this paper will be on how to convert scientific inkjet knowledge into industrially relevant processes and applications.

  5. Noninvasive Imaging of 3D Dynamics in Thickly Fluorescent Specimens Beyond the Diffraction Limit

    PubMed Central

    Gao, Liang; Shao, Lin; Higgins, Christopher D.; Poulton, John S.; Peifer, Mark; Davidson, Michael W.; Wu, Xufeng; Goldstein, Bob; Betzig, Eric

    2013-01-01

    SUMMARY Optical imaging of the dynamics of living specimens involves tradeoffs between spatial resolution, temporal resolution, and phototoxicity, made more difficult in three-dimensions. Here, however, we report that rapid 3D dynamics can be studied beyond the diffraction limit in thick or densely fluorescent living specimens over many time points by combining ultra-thin planar illumination produced by scanned Bessel beams with superresolution structured illumination microscopy. We demonstrate in vivo karyotyping of chromosomes during mitosis and identify different dynamics for the actin cytoskeleton at the dorsal and ventral surfaces of fibroblasts. Compared to spinning disk confocal microscopy, we demonstrate substantially reduced photodamage when imaging rapid morphological changes in D. discoideum cells, as well as improved contrast and resolution at depth within developing C. elegans embryos. Bessel beam structured plane illumination thus promises new insights into complex biological phenomena that require 4D subcellular spatiotemporal detail in either a single or multicellular context. PMID:23217717

  6. Diffractive 3D XUV optics at Helmholtz-Zentrum Berlin, recent developments

    NASA Astrophysics Data System (ADS)

    Brzhezinskaya, Maria; Firsov, Alexander; Erko, Alexei

    2014-09-01

    The 2-Dimensional and 3-Dimensional variable line spacing (VLS) gratings based on total external reflection give the unique possibility for spectroscopy and focusing in application to 4th and 5th generation synchrotron sources. We focus on the elaboration of novel approaches for design and fabrication of 3D VLS working in the entire energy range, from THz to hard X-rays. These optical elements have unique combination of properties and can operate at all XUV sources including Free Electron Lasers (FELs), Energy Recovery Linacs (ERLs) and High Harmonic Generators (HHGs). Such 3D DOEs are able to cover the energy range of up to 20 keV with energy resolution λ/Δλ ≥ 1000 for soft x-ray and λ/Δλ ≥ 10000 for hard x-ray. We fabricate 3D VLS for time-resolved spectroscopy (energy range 100 - 2000 eV, 7500-9500 eV), FELs and ERLs (energy range up to 3 keV), and HHGs (energy range 10 - 200 eV).

  7. Advanced prior modeling for 3D bright field electron tomography

    NASA Astrophysics Data System (ADS)

    Sreehari, Suhas; Venkatakrishnan, S. V.; Drummy, Lawrence F.; Simmons, Jeffrey P.; Bouman, Charles A.

    2015-03-01

    Many important imaging problems in material science involve reconstruction of images containing repetitive non-local structures. Model-based iterative reconstruction (MBIR) could in principle exploit such redundancies through the selection of a log prior probability term. However, in practice, determining such a log prior term that accounts for the similarity between distant structures in the image is quite challenging. Much progress has been made in the development of denoising algorithms like non-local means and BM3D, and these are known to successfully capture non-local redundancies in images. But the fact that these denoising operations are not explicitly formulated as cost functions makes it unclear as to how to incorporate them in the MBIR framework. In this paper, we formulate a solution to bright field electron tomography by augmenting the existing bright field MBIR method to incorporate any non-local denoising operator as a prior model. We accomplish this using a framework we call plug-and-play priors that decouples the log likelihood and the log prior probability terms in the MBIR cost function. We specifically use 3D non-local means (NLM) as the prior model in the plug-and-play framework, and showcase high quality tomographic reconstructions of a simulated aluminum spheres dataset, and two real datasets of aluminum spheres and ferritin structures. We observe that streak and smear artifacts are visibly suppressed, and that edges are preserved. Also, we report lower RMSE values compared to the conventional MBIR reconstruction using qGGMRF as the prior model.

  8. Terahertz 3D printed diffractive lens matrices for field-effect transistor detector focal plane arrays.

    PubMed

    Szkudlarek, Krzesimir; Sypek, Maciej; Cywiński, Grzegorz; Suszek, Jarosław; Zagrajek, Przemysław; Feduniewicz-Żmuda, Anna; Yahniuk, Ivan; Yatsunenko, Sergey; Nowakowska-Siwińska, Anna; Coquillat, Dominique; But, Dmytro B; Rachoń, Martyna; Węgrzyńska, Karolina; Skierbiszewski, Czesław; Knap, Wojciech

    2016-09-01

    We present the concept, the fabrication processes and the experimental results for materials and optics that can be used for terahertz field-effect transistor detector focal plane arrays. More specifically, we propose 3D printed arrays of a new type - diffractive multi-zone lenses of which the performance is superior to that of previously used mono-zone diffractive or refractive elements and evaluate them with GaN/AlGaN field-effect transistor terahertz detectors. Experiments performed in the 300-GHz atmospheric window show that the lens arrays offer both a good efficiency and good uniformity, and may improve the signal-to-noise ratio of the terahertz field-effect transistor detectors by more than one order of magnitude. In practice, we tested 3 × 12 lens linear arrays with printed circuit board THz detector arrays used in postal security scanners and observed significant signal-to-noise improvements. Our results clearly show that the proposed technology provides a way to produce cost-effective, reproducible, flat optics for large-size field-effect transistor THz-detector focal plane arrays. PMID:27607620

  9. Cryptotomography: reconstructing 3D Fourier intensities from randomly oriented single-shot diffraction patterns (CXIDB ID 9)

    DOE Data Explorer

    Loh, Ne-Te Duane

    2011-08-01

    These 2000 single-shot diffraction patterns include were either background-scattering only or hits (background-scattering plus diffraction signal from sub-micron ellipsoidal particles at random, undetermined orientations). Candidate hits were identified by eye, and the remainder were presumed as background. 54 usable, background-subtracted hits in this set (procedure in referenced article) were used to reconstruct the 3D diffraction intensities of the average ellipsoidal particle.

  10. 3D Observation of GEMS by Electron Tomography

    NASA Technical Reports Server (NTRS)

    Matsuno, Junya; Miyake, Akira; Tsuchiyama, Akira; Nakamura-Messenger, Keiko; Messenger, Scott

    2014-01-01

    Amorphous silicates in chondritic porous interplanetary dust particles (CP-IDPs) coming from comets are dominated by glass with embedded metal and sulfides (GEMS). GEMS grains are submicron-sized rounded objects (typically 100-500) nm in diameter) with anaometer-sized (10-50 nm) Fe-Ni metal and sulfide grains embedded in an amorphous silicate matrix. Several formation processes for GEMS grains have been proposed so far, but these models are still being debated [2-5]. Bradley et al. proposed that GEMS grains are interstellar silicate dust that survived various metamorphism or alteration processes in the protoplanetary disk and that they are amorphiation products of crystalline silicates in the interstellar medium by sputter-deposition of cosmic ray irradiation, similar to space weathering [2,4]. This consideration is based on the observation of nano-sized crystals (approximately 10 nm) called relict grains in GEMS grains and their shapes are pseudomorphs to the host GEMS grains. On the other hand, Keller and Messenger proposed that most GEMS formed in the protoplanetary disk as condensates from high temperature gas [3,5]. This model is based on the fact that most GEMS grains have solar isotopic compositions and have extremely heterogeneous and non-solar elemental compositions. Keller and Messenger (2011) also reported that amorphous silicates in GEMS grains are surrounded by sulfide grains, which formed as sulfidization of metallic iron grains located on the GEMS surface. The previous studies were performed with 2D observation by using transmission electron microscopy (TEM) or scanning TEM (STEM). In order to understand the structure of GEMS grains described above more clearly, we observed 3D structure of GEMS grains by electron tomography using a TEM/STEM (JEM-2100F, JEOL) at Kyoto University. Electron tomography gives not only 3D structures but also gives higher spatial resolution (approximately a few nm) than that in conventional 2D image, which is restricted by

  11. 3D Printing: 3D Printing of Shape Memory Polymers for Flexible Electronic Devices (Adv. Mater. 22/2016).

    PubMed

    Zarek, Matt; Layani, Michael; Cooperstein, Ido; Sachyani, Ela; Cohn, Daniel; Magdassi, Shlomo

    2016-06-01

    On page 4449, D. Cohn, S. Magdassi, and co-workers describe a general and facile method based on 3D printing of methacrylated macromonomers to fabricate shape-memory objects that can be used in flexible and responsive electrical circuits. Such responsive objects can be used in the fabrication of soft robotics, minimal invasive medical devices, sensors, and wearable electronics. The use of 3D printing overcomes the poor processing characteristics of thermosets and enables complex geometries that are not easily accessible by other techniques. PMID:27273436

  12. Methods For Electronic 3-D Moving Pictures Without Glasses

    NASA Astrophysics Data System (ADS)

    Collender, Robert B.

    1987-06-01

    This paper describes implementation approaches in image acquisition and playback for 3-D computer graphics, 3-D television and 3-D theatre movies without special glasses. Projection lamps, spatial light modulators, CRT's and dynamic scanning are all eliminated by the application of an active image array, all static components and a semi-specular screen. The resulting picture shows horizontal parallax with a wide horizontal view field (up to 360 de-grees) giving a holographic appearance in full color with smooth continuous viewing without speckle. Static component systems are compared with dynamic component systems using both linear and circular arrays. Implementation of computer graphic systems are shown that allow complex shaded color images to extend from the viewer's eyes to infinity. Large screen systems visible by hundreds of people are feasible by the use of low f-stops and high gain screens in projection. Screen geometries and special screen properties are shown. Viewing characteristics offer no restrictions in view-position over the entire view-field and have a "look-around" feature for all the categories of computer graphics, television and movies. Standard video cassettes and optical discs can also interface the system to generate a 3-D window viewable without glasses. A prognosis is given for technology application to 3-D pictures without glasses that replicate the daily viewing experience. Super-position of computer graphics on real-world pictures is shown feasible.

  13. Note: An improved 3D imaging system for electron-electron coincidence measurements

    SciTech Connect

    Lin, Yun Fei; Lee, Suk Kyoung; Adhikari, Pradip; Herath, Thushani; Lingenfelter, Steven; Winney, Alexander H.; Li, Wen

    2015-09-15

    We demonstrate an improved imaging system that can achieve highly efficient 3D detection of two electrons in coincidence. The imaging system is based on a fast frame complementary metal-oxide semiconductor camera and a high-speed waveform digitizer. We have shown previously that this detection system is capable of 3D detection of ions and electrons with good temporal and spatial resolution. Here, we show that with a new timing analysis algorithm, this system can achieve an unprecedented dead-time (<0.7 ns) and dead-space (<1 mm) when detecting two electrons. A true zero dead-time detection is also demonstrated.

  14. Electron crystallography of ultrathin 3D protein crystals: atomic model with charges.

    PubMed

    Yonekura, Koji; Kato, Kazuyuki; Ogasawara, Mitsuo; Tomita, Masahiro; Toyoshima, Chikashi

    2015-03-17

    Membrane proteins and macromolecular complexes often yield crystals too small or too thin for even the modern synchrotron X-ray beam. Electron crystallography could provide a powerful means for structure determination with such undersized crystals, as protein atoms diffract electrons four to five orders of magnitude more strongly than they do X-rays. Furthermore, as electron crystallography yields Coulomb potential maps rather than electron density maps, it could provide a unique method to visualize the charged states of amino acid residues and metals. Here we describe an attempt to develop a methodology for electron crystallography of ultrathin (only a few layers thick) 3D protein crystals and present the Coulomb potential maps at 3.4-Å and 3.2-Å resolution, respectively, obtained from Ca(2+)-ATPase and catalase crystals. These maps demonstrate that it is indeed possible to build atomic models from such crystals and even to determine the charged states of amino acid residues in the Ca(2+)-binding sites of Ca(2+)-ATPase and that of the iron atom in the heme in catalase. PMID:25730881

  15. Electron crystallography of ultrathin 3D protein crystals: Atomic model with charges

    PubMed Central

    Yonekura, Koji; Kato, Kazuyuki; Ogasawara, Mitsuo; Tomita, Masahiro; Toyoshima, Chikashi

    2015-01-01

    Membrane proteins and macromolecular complexes often yield crystals too small or too thin for even the modern synchrotron X-ray beam. Electron crystallography could provide a powerful means for structure determination with such undersized crystals, as protein atoms diffract electrons four to five orders of magnitude more strongly than they do X-rays. Furthermore, as electron crystallography yields Coulomb potential maps rather than electron density maps, it could provide a unique method to visualize the charged states of amino acid residues and metals. Here we describe an attempt to develop a methodology for electron crystallography of ultrathin (only a few layers thick) 3D protein crystals and present the Coulomb potential maps at 3.4-Å and 3.2-Å resolution, respectively, obtained from Ca2+-ATPase and catalase crystals. These maps demonstrate that it is indeed possible to build atomic models from such crystals and even to determine the charged states of amino acid residues in the Ca2+-binding sites of Ca2+-ATPase and that of the iron atom in the heme in catalase. PMID:25730881

  16. An Electronic Analog of the Diffraction Grating.

    ERIC Educational Resources Information Center

    MacLeod, A. M.

    1978-01-01

    Gives an outline description of electronic circuitry which is analogous to the optical diffraction grating or to crystals used in the Bragg reflection of X-rays or electron waves, and explains how to use it. (Author/GA)

  17. The 3d International Workshop on Computational Electronics

    NASA Astrophysics Data System (ADS)

    Goodnick, Stephen M.

    1994-09-01

    The Third International Workshop on Computational Electronics (IWCE) was held at the Benson Hotel in downtown Portland, Oregon, on May 18, 19, and 20, 1994. The workshop was devoted to a broad range of topics in computational electronics related to the simulation of electronic transport in semiconductors and semiconductor devices, particularly those which use large computational resources. The workshop was supported by the National Science Foundation (NSF), the Office of Naval Research and the Army Research Office, as well as local support from the Oregon Joint Graduate Schools of Engineering and the Oregon Center for Advanced Technology Education. There were over 100 participants in the Portland workshop, of which more than one quarter represented research groups outside of the United States from Austria, Canada, France, Germany, Italy, Japan, Switzerland, and the United Kingdom. There were a total 81 papers presented at the workshop, 9 invited talks, 26 oral presentations and 46 poster presentations. The emphasis of the contributions reflected the interdisciplinary nature of computational electronics with researchers from the Chemistry, Computer Science, Mathematics, Engineering, and Physics communities participating in the workshop.

  18. Defining Electron Backscatter Diffraction Resolution

    SciTech Connect

    El-Dasher, B S; Rollett, A D

    2005-02-07

    Automated electron backscatter diffraction (EBSD) mapping systems have existed for more than 10 years [1,2], and due to their versatility in characterizing multiple aspects of microstructure, they have become an important tool in microscale crystallographic studies. Their increasingly widespread use however raises questions about their accuracy in both determining crystallographic orientations, as well as ensuring that the orientation information is spatially correct. The issue of orientation accuracy (as defined by angular resolution) has been addressed previously [3-5]. While the resolution of EBSD systems is typically quoted to be on the order of 1{sup o}, it has been shown that by increasing the pattern quality via acquisition parameter adjustment, the angular resolution can be improved to sub-degree levels. Ultimately, the resolution is dependent on how it is identified. In some cases it can be identified as the orientation relative to a known absolute, in others as the misorientation between nearest neighbor points in a scan. Naturally, the resulting values can be significantly different. Therefore, a consistent and universal definition of resolution that can be applied to characterize any EBSD system is necessary, and is the focus of the current study. In this work, a Phillips (FEI) XL-40 FEGSEM coupled to a TexSEM Laboratories OIM system was used. The pattern capturing hardware consisted of both a 512 by 512 pixel SIT CCD camera and a 1300 by 1030 pixel Peltier cooled CCD camera. Automated scans of various sizes, each consisting of 2500 points, were performed on a commercial-grade single crystal silicon wafer used for angular resolution measurements. To adequately quantify angular resolution for all possible EBSD applications we define two angular values. The first is {omega}{sub center}, the mean of the misorientation angle distribution between all scan points and the scan point coincident to the calibration source (typically the scan center). The {omega

  19. A framework for 3-D coherent diffraction imaging by focused beam x-ray Bragg ptychography.

    SciTech Connect

    Hruszkewycz, S. O.; Holt, M. V.; Tripathi, A.; Maser, J.; Fuoss, P. H.

    2011-06-15

    We present the framework for convergent beam Bragg ptychography, and, using simulations, we demonstrate that nanocrystals can be ptychographically reconstructed from highly convergent x-ray Bragg diffraction. The ptychographic iterative engine is extended to three dimensions and shown to successfully reconstruct a simulated nanocrystal using overlapping raster scans with a defocused curved beam, the diameter of which matches the crystal size. This object reconstruction strategy can serve as the basis for coherent diffraction imaging experiments at coherent scanning nanoprobe x-ray sources.

  20. Dynamics of electronically inelastic collisions from 3D Doppler measurements

    SciTech Connect

    Suits, A.G.; de Pujo, P.; Sublemontier, O.; Visticot, J.; Berlande, J.; Cuvellier, J.; Gustavsson, T.; Mestdagh, J.; Meynadier, P. ); Lee, Y.T. )

    1991-11-25

    Flux-velocity contour maps were obtained for the inelastic collision process Ba({sup 1}{ital P}{sub 1})+O{sub 2}N{sub 2}{r arrow}Ba({sup 3}{ital P}{sub 2})+O{sub 2}N{sub 2} from Doppler scans of scattered Ba({sup 3}{ital P}{sub 2}) taken over a range of probe laser directions in a crossed-beam experiment. Collision with O{sub 2} resulted in sharply forward scattered Ba({sup 3}{ital P}{sub 2}), with efficient conversion of inital electronic energy into O{sub 2} internal energy and little momentum transfer. Collision with N{sub 2} was dominated by wide-angle scattering with most of the available electronic energy appearing in product translation. The results suggest the importance of large-impact-parameter collisions and a near-resonant energy transfer in the case of O{sub 2}, while for N{sub 2} close collisions dominate despite the presence of an analogous near-resonant channel. The results represent the first direct experimental demonstration of a near-resonant quenching process.

  1. 3D imaging of sea quarks and gluons at an electron-ion collider

    SciTech Connect

    Vadim Guzey

    2011-11-01

    We outline key objectives and capabilities of an Electron-Ion Collider (EIC) — a high-energy and high-luminosity electron-proton/nucleus collider with polarized electron and proton beams. One of goals of a future EIC is to map the 3D (in configuration and momentum spaces) structure of sea quarks and gluons in the nucleon and nuclei. We briefly present and discuss key observables and measurements pertaining to the program of 3D imaging at an EIC.

  2. 3D Printing of Shape Memory Polymers for Flexible Electronic Devices.

    PubMed

    Zarek, Matt; Layani, Michael; Cooperstein, Ido; Sachyani, Ela; Cohn, Daniel; Magdassi, Shlomo

    2016-06-01

    The formation of 3D objects composed of shape memory polymers for flexible electronics is described. Layer-by-layer photopolymerization of methacrylated semicrystalline molten macromonomers by a 3D digital light processing printer enables rapid fabrication of complex objects and imparts shape memory functionality for electrical circuits. PMID:26402320

  3. Diffraction effects incorporated design of a parallax barrier for a high-density multi-view autostereoscopic 3D display.

    PubMed

    Yoon, Ki-Hyuk; Ju, Heongkyu; Kwon, Hyunkyung; Park, Inkyu; Kim, Sung-Kyu

    2016-02-22

    We present optical characteristics of view image provided by a high-density multi-view autostereoscopic 3D display (HD-MVA3D) with a parallax barrier (PB). Diffraction effects that become of great importance in such a display system that uses a PB, are considered in an one-dimensional model of the 3D display, in which the numerical simulation of light from display panel pixels through PB slits to viewing zone is performed. The simulation results are then compared to the corresponding experimental measurements with discussion. We demonstrate that, as a main parameter for view image quality evaluation, the Fresnel number can be used to determine the PB slit aperture for the best performance of the display system. It is revealed that a set of the display parameters, which gives the Fresnel number of ∼ 0.7 offers maximized brightness of the view images while that corresponding to the Fresnel number of 0.4 ∼ 0.5 offers minimized image crosstalk. The compromise between the brightness and crosstalk enables optimization of the relative magnitude of the brightness to the crosstalk and lead to the choice of display parameter set for the HD-MVA3D with a PB, which satisfies the condition where the Fresnel number lies between 0.4 and 0.7. PMID:26907057

  4. Ultrafast Time-Resolved Electron Diffraction with Megavolt Electron Beams

    SciTech Connect

    Hastings, J.B.; Rudakov, F.M.; Dowell, D.H.; Schmerge, J.F.; Cardoza, J.D.; Castro, J.M.; Gierman, S.M.; Loos, H.; Weber, P.M.; /Brown U.

    2006-10-24

    An rf photocathode electron gun is used as an electron source for ultrafast time-resolved pump-probe electron diffraction. We observed single-shot diffraction patterns from a 160 nm Al foil using the 5.4 MeV electron beam from the Gun Test Facility at the Stanford Linear Accelerator. Excellent agreement with simulations suggests that single-shot diffraction experiments with a time resolution approaching 100 fs are possible.

  5. Structure refinement from precession electron diffraction data.

    PubMed

    Palatinus, Lukáš; Jacob, Damien; Cuvillier, Priscille; Klementová, Mariana; Sinkler, Wharton; Marks, Laurence D

    2013-03-01

    Electron diffraction is a unique tool for analysing the crystal structures of very small crystals. In particular, precession electron diffraction has been shown to be a useful method for ab initio structure solution. In this work it is demonstrated that precession electron diffraction data can also be successfully used for structure refinement, if the dynamical theory of diffraction is used for the calculation of diffracted intensities. The method is demonstrated on data from three materials - silicon, orthopyroxene (Mg,Fe)(2)Si(2)O(6) and gallium-indium tin oxide (Ga,In)(4)Sn(2)O(10). In particular, it is shown that atomic occupancies of mixed crystallographic sites can be refined to an accuracy approaching X-ray or neutron diffraction methods. In comparison with conventional electron diffraction data, the refinement against precession diffraction data yields significantly lower figures of merit, higher accuracy of refined parameters, much broader radii of convergence, especially for the thickness and orientation of the sample, and significantly reduced correlations between the structure parameters. The full dynamical refinement is compared with refinement using kinematical and two-beam approximations, and is shown to be superior to the latter two. PMID:23403968

  6. Contiguous 3 d and 4 f Magnetism: Strongly Correlated 3 d Electrons in YbFe2Al10

    NASA Astrophysics Data System (ADS)

    Khuntia, P.; Peratheepan, P.; Strydom, A. M.; Utsumi, Y.; Ko, K.-T.; Tsuei, K.-D.; Tjeng, L. H.; Steglich, F.; Baenitz, M.

    2014-11-01

    We present magnetization, specific heat, and Al 27 NMR investigations on YbFe2Al10 over a wide range in temperature and magnetic field. The magnetic susceptibility at low temperatures is strongly enhanced at weak magnetic fields, accompanied by a ln (T0/T ) divergence of the low-T specific heat coefficient in zero field, which indicates a ground state of correlated electrons. From our hard-x-ray photoemission spectroscopy study, the Yb valence at 50 K is evaluated to be 2.38. The system displays valence fluctuating behavior in the low to intermediate temperature range, whereas above 400 K, Yb3 + carries a full and stable moment, and Fe carries a moment of about 3.1 μB. The enhanced value of the Sommerfeld-Wilson ratio and the dynamic scaling of the spin-lattice relaxation rate divided by T [(1 /T1T ) 27 ] with static susceptibility suggests admixed ferromagnetic correlations. (1 /T1T ) 27 simultaneously tracks the valence fluctuations from the 4 f Yb ions in the high temperature range and field dependent antiferromagnetic correlations among partially Kondo screened Fe 3 d moments at low temperature; the latter evolve out of an Yb 4 f admixed conduction band.

  7. 3D laser inspection of fuel assembly grid spacers for nuclear reactors based on diffractive optical elements

    NASA Astrophysics Data System (ADS)

    Finogenov, L. V.; Lemeshko, Yu A.; Zav'yalov, P. S.; Chugui, Yu V.

    2007-06-01

    Ensuring the safety and high operation reliability of nuclear reactors takes 100% inspection of geometrical parameters of fuel assemblies, which include the grid spacers performed as a cellular structure with fuel elements. The required grid spacer geometry of assembly in the transverse and longitudinal cross sections is extremely important for maintaining the necessary heat regime. A universal method for 3D grid spacer inspection using a diffractive optical element (DOE), which generates as the structural illumination a multiple-ring pattern on the inner surface of a grid spacer cell, is investigated. Using some DOEs one can inspect the nomenclature of all produced grids. A special objective has been developed for forming the inner surface cell image. The problems of diffractive elements synthesis, projecting optics calculation, adjusting methods as well as calibration of the experimental measuring system are considered. The algorithms for image processing for different constructive elements of grids (cell, channel hole, outer grid spacer rim) and the experimental results are presented.

  8. Diffractive control of 3D multifilamentation in fused silica with micrometric resolution.

    PubMed

    Mendoza-Yero, Omel; Carbonell-Leal, Miguel; Doñate-Buendía, Carlos; Mínguez-Vega, Gladys; Lancis, Jesús

    2016-07-11

    We show that a simple diffractive phase element (DPE) can be used to manipulate at will the positions and energy of multiple filaments generated in fused silica under femtosecond pulsed illumination. The method allows obtaining three-dimensional distributions of controlled filaments whose separations can be in the order of few micrometers. With such small distances we are able to study the mutual coherence among filaments from the resulted interference pattern, without needing a two-arm interferometer. The encoding of the DPE into a phase-only spatial light modulator (SLM) provides an extra degree of freedom to the optical set-up, giving more versatility for implementing different DPEs in real time. Our proposal might be particularly suited for applications at which an accurate manipulation of multiple filaments is required. PMID:27410807

  9. Fast spatial beam shaping by acousto-optic diffraction for 3D non-linear microscopy.

    PubMed

    Akemann, Walther; Léger, Jean-François; Ventalon, Cathie; Mathieu, Benjamin; Dieudonné, Stéphane; Bourdieu, Laurent

    2015-11-01

    Acousto-optic deflection (AOD) devices offer unprecedented fast control of the entire spatial structure of light beams, most notably their phase. AOD light modulation of ultra-short laser pulses, however, is not straightforward to implement because of intrinsic chromatic dispersion and non-stationarity of acousto-optic diffraction. While schemes exist to compensate chromatic dispersion, non-stationarity remains an obstacle. In this work we demonstrate an efficient AOD light modulator for stable phase modulation using time-locked generation of frequency-modulated acoustic waves at the full repetition rate of a high power laser pulse amplifier of 80 kHz. We establish the non-local relationship between the optical phase and the generating acoustic frequency function and verify the system for temporal stability, phase accuracy and generation of non-linear two-dimensional phase functions. PMID:26561090

  10. Electron collisions with Fe-peak elements: Forbidden transitions between the low lying valence states 3d{sup 6}, 3d{sup 5}4s, and 3d{sup 5}4p of Fe III

    SciTech Connect

    McLaughlin, B.M. . E-mail: b.mclaughlin@qub.ac.uk; Scott, M.P.; Sunderland, A.G.; Noble, C.J.; Burke, V.M.; Ramsbottom, C.A.; Reid, R.H.G.; Hibbert, A.; Bell, K.L.; Burke, P.G.

    2007-01-15

    Effective collision strengths are presented for the Fe-peak element Fe III at electron temperatures (T {sub e} in degrees Kelvin) in the range 2 x 10{sup 3} to 1 x 10{sup 6}. Forbidden transitions results are given between the 3d{sup 6}, 3d{sup 5}4s, and the 3d{sup 5}4p manifolds applicable to the modeling of laboratory and astrophysical plasmas.

  11. Angular distribution of Auger electrons due to 3d-shell impact ionization of krypton

    NASA Technical Reports Server (NTRS)

    Omidvar, K.

    1977-01-01

    Cross sections for electron impact ionization of krypton due to ejection of a 3d-shell electron have been calculated using screened hydrogenic and Hartree-Slater wavefunctions for the target atom. While the total ionization cross sections in the two approximations are within 10% of each other, the Auger electron angular distribution, related to cross sections for specific magnetic quantum numbers of the 3d electrons, are widely different in the two approximations. The angular distribution due to the Hartree-Slater approximation is in excellent agreement with measurement. The physical reason for the discrepancies in the two approximations is explained.

  12. 3D strain measurement in electronic devices using through-focal annular dark-field imaging.

    PubMed

    Kim, Suhyun; Jung, Younheum; Lee, Sungho; Jung Kim, Joong; Byun, Gwangseon; Lee, Sunyoung; Lee, Haebum

    2014-11-01

    Spherical aberration correction in high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) allows us to form an electron probe with reduced depth of field. Using through-focal HAADF imaging, we experimentally demonstrated 3D strain measurement in a strained-channel transistor. The strain field distribution in the channel region was obtained by scanning an electron beam over a plan-view specimen. Furthermore, the decrease in the strain fields toward the silicon substrate was revealed at different focal planes with a 5-nm focal step. These results demonstrate that it is possible to reconstruct the 3D strain field in electronic devices. PMID:24859824

  13. Electron Diffraction of Superfluid Helium Droplets

    PubMed Central

    2014-01-01

    We present experimental results of electron diffraction of superfluid helium droplets and droplets doped with phthalocyanine gallium chloride and discuss the possibility of performing the same experiment with a laser aligned sample. The diffraction profile of pure droplets demonstrates dependence on the nozzle temperature, that is, on the average size of the droplets. Larger clusters demonstrate faster decay with increasing momentum transfer, whereas smaller clusters converge to isolated gas phase molecules at source temperatures of 18 K and higher. Electron diffraction of doped droplets shows similar modified molecular scattering intensity as that of the corresponding gas phase molecules. On the basis of fittings of the scattering profile, the number of remaining helium atoms of the doped droplets is estimated to be on the order of hundreds. This result offers guidance in assessing the possibility of electron diffraction from laser aligned molecules doped in superfluid helium droplets. PMID:24920997

  14. Effect of 3d doping on the electronic structure of BaFe2As2.

    PubMed

    McLeod, J A; Buling, A; Green, R J; Boyko, T D; Skorikov, N A; Kurmaev, E Z; Neumann, M; Finkelstein, L D; Ni, N; Thaler, A; Bud'ko, S L; Canfield, P C; Moewes, A

    2012-05-30

    The electronic structure of BaFe(2)As(2) doped with Co, Ni and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi level, while the Cu 3d states are found at the bottom of the valence band in a localized 3d(10) shell. These findings help shed light on why superconductivity can occur in BaFe(2)As(2) doped with Co and Ni but not Cu. PMID:22534111

  15. Effect of 3d doping on the electronic structure of BaFe2As2

    SciTech Connect

    McLeod, John A.; Buling, A.; Green, R.J.; Boyko, T.D.; Skorikov, N.A.; Kurmaev, E.Z.; Neumann, M.; Finkelstein, L.D.; Ni, Ni; Thaler, Alexander; Budko, Serguei L.; Canfield, Paul; Moewes, A.

    2012-04-25

    The electronic structure of BaFe2As2 doped with Co, Ni and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi level, while the Cu 3d states are found at the bottom of the valence band in a localized 3d10 shell. These findings help shed light on why superconductivity can occur in BaFe2As2 doped with Co and Ni but not Cu.

  16. 3D structure of individual nanocrystals in solution by electron microscopy

    NASA Astrophysics Data System (ADS)

    Park, Jungwon; Elmlund, Hans; Ercius, Peter; Yuk, Jong Min; Limmer, David T.; Chen, Qian; Kim, Kwanpyo; Han, Sang Hoon; Weitz, David A.; Zettl, A.; Alivisatos, A. Paul

    2015-07-01

    Knowledge about the synthesis, growth mechanisms, and physical properties of colloidal nanoparticles has been limited by technical impediments. We introduce a method for determining three-dimensional (3D) structures of individual nanoparticles in solution. We combine a graphene liquid cell, high-resolution transmission electron microscopy, a direct electron detector, and an algorithm for single-particle 3D reconstruction originally developed for analysis of biological molecules. This method yielded two 3D structures of individual platinum nanocrystals at near-atomic resolution. Because our method derives the 3D structure from images of individual nanoparticles rotating freely in solution, it enables the analysis of heterogeneous populations of potentially unordered nanoparticles that are synthesized in solution, thereby providing a means to understand the structure and stability of defects at the nanoscale.

  17. 3D Modeling Activity for Novel High Power Electron Guns at SLAC

    SciTech Connect

    Krasnykh, Anatoly

    2003-07-29

    The next generation of powerful electronic devices requires new approaches to overcome the known limitations of existing tube technology. Multi-beam and sheet beam approaches are novel concepts for the high power microwave devices. Direct and indirect modeling methods are being developed at SLAC to meet the new requirements in the 3D modeling. The direct method of solving of Poisson's equations for the multi-beam and sheet beam guns is employed in the TOPAZ 3D tool. The combination of TOPAZ 2D and EGUN (in the beginning) with MAFIA 3D and MAGIC 3D (at the end) is used in an indirect method to model the high power electron guns. Both methods complement each other to get reliable representation of the beam trajectories. Several gun ideas are under consideration at the present time. The collected results of these simulations are discussed.

  18. Analysis of the 3D distribution of stacked self-assembled quantum dots by electron tomography

    PubMed Central

    2012-01-01

    The 3D distribution of self-assembled stacked quantum dots (QDs) is a key parameter to obtain the highest performance in a variety of optoelectronic devices. In this work, we have measured this distribution in 3D using a combined procedure of needle-shaped specimen preparation and electron tomography. We show that conventional 2D measurements of the distribution of QDs are not reliable, and only 3D analysis allows an accurate correlation between the growth design and the structural characteristics. PMID:23249477

  19. Decay pathways after Xe 3d inner shell ionization using a multi-electron coincidence technique

    NASA Astrophysics Data System (ADS)

    Suzuki, I. H.; Hikosaka, Y.; Shigemasa, E.; Lablanquie, P.; Penent, F.; Soejima, K.; Nakano, M.; Kouchi, N.; Ito, K.

    2011-04-01

    Cascade Auger electron emission following Xe 3d photoionization has been investigated using a multi-electron coincidence technique, which utilizes an electron spectrometer of magnetic bottle type. It has been found that the Xe2+ states of the 4p-14d-1 configuration, formed by the Auger decay of the Xe+ 3d3/2, 5/2-1 states, dominantly turn into triply charged states of the 4d-25p-1/4d-25s-1 configurations. The Xe2+ 4s-14d-1 states, formed by the 3d Auger decay, yield the 4p-14d-15p-1 states as well as the 4d-3 states. From the coincidence spectrum among three Auger electrons, it is suggested that the Xe2+ 4p-14d-1 states give rise to the following cascade processes: 4p-14d-1 → 4d-25p-1 → 4d-15p-3.

  20. Characterization of 3D Trench PZT Capacitors for High Density FRAM Devices by Synchrotron X-ray Micro-diffraction

    NASA Astrophysics Data System (ADS)

    Shin, Sangmin; Han, Hee; Park, Yong Jun; Choi, Jae-Young; Park, Youngsoo; Baik, Sunggi

    2007-01-01

    3D trench PbZrxTi1-xO3 (PZT) capacitors for 256 Mbit 1T-1C FRAM devices were characterized by synchrotron X-ray micro-diffraction at Pohang Light Source. Three layes, Ir/PZT/Ir were deposited on SiO2 trench holes with different widths ranging from 180 nm to 810 nm and 400 nm in depth by ALD and MOCVD. Each hole is separated from neighboring holes by 200 nm. The cross sectional TEM analysis for the trenches revealed that the PZT layers were consisted of columnar grains at the trench entrance and changes to polycrystalline granular grains at the lower part of the trench. The transition from columnar to granular grains was dependent on the trench size. The smaller trenches were favorable to granular grain formation. High resolution synchrotron X-ray diffraction analysis was performed to determine the crystal structure of each region. The beam was focused to about 500 μm and the diffraction patterns were obtained from a single trench. Only the peaks corresponding to ferroelectric tetragonal phases are observed for the trenches larger than 670 nm, which consist of fully columnar grains. However, the trenches smaller than 670 nm showed the peaks corresponding the pyrochlore phases, which suggested that the granular grains are of pyrochlore phases and non-ferroelectric.

  1. Electron backscatter diffraction: applications for nuclear materials.

    PubMed

    Medevielle; Hugon; Dugne

    1999-09-01

    The diffraction of electrons was first observed in 1928 by Kikuchi. The phenomenon results in the formation of characteristic diagrams of the crystalline lattice and the orientation of the phase. Backscattered electrons are diffracted by the different crystallographic planes (hkl) according to the Bragg angle thetab. These describe, by symmetry, two cones of axes normal to the diffracting plane. Information is collected on a phosphor screen, leading to the acquisition of a diffraction pattern called a Kikuchi diagram. Several improvements now give a wide range of applications such as phase identification (carbides or complex compounds in a (U,Zr,O) structure), analysis of materials interfaces (ZrO2/UO2), as well as solidification studies and local texture determination (molybdenum sheets). In these applications, EBSD, as a type of quantitative metallography, is a powerful tool. PMID:10460689

  2. A simple, low-cost conductive composite material for 3D printing of electronic sensors.

    PubMed

    Leigh, Simon J; Bradley, Robert J; Purssell, Christopher P; Billson, Duncan R; Hutchins, David A

    2012-01-01

    3D printing technology can produce complex objects directly from computer aided digital designs. The technology has traditionally been used by large companies to produce fit and form concept prototypes ('rapid prototyping') before production. In recent years however there has been a move to adopt the technology as full-scale manufacturing solution. The advent of low-cost, desktop 3D printers such as the RepRap and Fab@Home has meant a wider user base are now able to have access to desktop manufacturing platforms enabling them to produce highly customised products for personal use and sale. This uptake in usage has been coupled with a demand for printing technology and materials able to print functional elements such as electronic sensors. Here we present formulation of a simple conductive thermoplastic composite we term 'carbomorph' and demonstrate how it can be used in an unmodified low-cost 3D printer to print electronic sensors able to sense mechanical flexing and capacitance changes. We show how this capability can be used to produce custom sensing devices and user interface devices along with printed objects with embedded sensing capability. This advance in low-cost 3D printing with offer a new paradigm in the 3D printing field with printed sensors and electronics embedded inside 3D printed objects in a single build process without requiring complex or expensive materials incorporating additives such as carbon nanotubes. PMID:23185319

  3. A Simple, Low-Cost Conductive Composite Material for 3D Printing of Electronic Sensors

    PubMed Central

    Leigh, Simon J.; Bradley, Robert J.; Purssell, Christopher P.; Billson, Duncan R.; Hutchins, David A.

    2012-01-01

    3D printing technology can produce complex objects directly from computer aided digital designs. The technology has traditionally been used by large companies to produce fit and form concept prototypes (‘rapid prototyping’) before production. In recent years however there has been a move to adopt the technology as full-scale manufacturing solution. The advent of low-cost, desktop 3D printers such as the RepRap and Fab@Home has meant a wider user base are now able to have access to desktop manufacturing platforms enabling them to produce highly customised products for personal use and sale. This uptake in usage has been coupled with a demand for printing technology and materials able to print functional elements such as electronic sensors. Here we present formulation of a simple conductive thermoplastic composite we term ‘carbomorph’ and demonstrate how it can be used in an unmodified low-cost 3D printer to print electronic sensors able to sense mechanical flexing and capacitance changes. We show how this capability can be used to produce custom sensing devices and user interface devices along with printed objects with embedded sensing capability. This advance in low-cost 3D printing with offer a new paradigm in the 3D printing field with printed sensors and electronics embedded inside 3D printed objects in a single build process without requiring complex or expensive materials incorporating additives such as carbon nanotubes. PMID:23185319

  4. Strain Determination Using Electron Backscatter Diffraction

    SciTech Connect

    Krause, M.; Graff, A.; Altmann, F.

    2010-11-24

    In the present paper we demonstrate the use of electron backscatter diffraction (EBSD) for high resolution elastic strain determination. Here, we focus on analysis methods based on determination of small shifts in EBSD pattern with respect to a reference pattern using cross-correlation algorithms. Additionally we highlight the excellent spatial and depth resolution of EBSD and introduce the use of simulated diffraction patterns based on dynamical diffraction theory for sensitivity estimation. Moreover the potential of EBSD for strain analysis of strained thin films with particular emphasis on appropriate target preparation which respect to occurring lattice defects is demonstrated.

  5. High-purity 3D nano-objects grown by focused-electron-beam induced deposition

    NASA Astrophysics Data System (ADS)

    Córdoba, Rosa; Sharma, Nidhi; Kölling, Sebastian; Koenraad, Paul M.; Koopmans, Bert

    2016-09-01

    To increase the efficiency of current electronics, a specific challenge for the next generation of memory, sensing and logic devices is to find suitable strategies to move from two- to three-dimensional (3D) architectures. However, the creation of real 3D nano-objects is not trivial. Emerging non-conventional nanofabrication tools are required for this purpose. One attractive method is focused-electron-beam induced deposition (FEBID), a direct-write process of 3D nano-objects. Here, we grow 3D iron and cobalt nanopillars by FEBID using diiron nonacarbonyl Fe2(CO)9, and dicobalt octacarbonyl Co2(CO)8, respectively, as starting materials. In addition, we systematically study the composition of these nanopillars at the sub-nanometer scale by atom probe tomography, explicitly mapping the homogeneity of the radial and longitudinal composition distributions. We show a way of fabricating high-purity 3D vertical nanostructures of ∼50 nm in diameter and a few micrometers in length. Our results suggest that the purity of such 3D nanoelements (above 90 at% Fe and above 95 at% Co) is directly linked to their growth regime, in which the selected deposition conditions are crucial for the final quality of the nanostructure. Moreover, we demonstrate that FEBID and the proposed characterization technique not only allow for growth and chemical analysis of single-element structures, but also offers a new way to directly study 3D core–shell architectures. This straightforward concept could establish a promising route to the design of 3D elements for future nano-electronic devices.

  6. High-purity 3D nano-objects grown by focused-electron-beam induced deposition.

    PubMed

    Córdoba, Rosa; Sharma, Nidhi; Kölling, Sebastian; Koenraad, Paul M; Koopmans, Bert

    2016-09-01

    To increase the efficiency of current electronics, a specific challenge for the next generation of memory, sensing and logic devices is to find suitable strategies to move from two- to three-dimensional (3D) architectures. However, the creation of real 3D nano-objects is not trivial. Emerging non-conventional nanofabrication tools are required for this purpose. One attractive method is focused-electron-beam induced deposition (FEBID), a direct-write process of 3D nano-objects. Here, we grow 3D iron and cobalt nanopillars by FEBID using diiron nonacarbonyl Fe2(CO)9, and dicobalt octacarbonyl Co2(CO)8, respectively, as starting materials. In addition, we systematically study the composition of these nanopillars at the sub-nanometer scale by atom probe tomography, explicitly mapping the homogeneity of the radial and longitudinal composition distributions. We show a way of fabricating high-purity 3D vertical nanostructures of ∼50 nm in diameter and a few micrometers in length. Our results suggest that the purity of such 3D nanoelements (above 90 at% Fe and above 95 at% Co) is directly linked to their growth regime, in which the selected deposition conditions are crucial for the final quality of the nanostructure. Moreover, we demonstrate that FEBID and the proposed characterization technique not only allow for growth and chemical analysis of single-element structures, but also offers a new way to directly study 3D core-shell architectures. This straightforward concept could establish a promising route to the design of 3D elements for future nano-electronic devices. PMID:27454835

  7. PF2fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps.

    PubMed

    Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

    2015-10-01

    There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF(2) fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF(2) fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF(2) fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF(2) fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF(2) fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF(2) fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search. PMID:26469938

  8. PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps

    PubMed Central

    Bettadapura, Radhakrishna; Rasheed, Muhibur; Vollrath, Antje; Bajaj, Chandrajit

    2015-01-01

    There continue to be increasing occurrences of both atomistic structure models in the PDB (possibly reconstructed from X-ray diffraction or NMR data), and 3D reconstructed cryo-electron microscopy (3D EM) maps (albeit at coarser resolution) of the same or homologous molecule or molecular assembly, deposited in the EMDB. To obtain the best possible structural model of the molecule at the best achievable resolution, and without any missing gaps, one typically aligns (match and fits) the atomistic structure model with the 3D EM map. We discuss a new algorithm and generalized framework, named PF2 fit (Polar Fast Fourier Fitting) for the best possible structural alignment of atomistic structures with 3D EM. While PF2 fit enables only a rigid, six dimensional (6D) alignment method, it augments prior work on 6D X-ray structure and 3D EM alignment in multiple ways: Scoring. PF2 fit includes a new scoring scheme that, in addition to rewarding overlaps between the volumes occupied by the atomistic structure and 3D EM map, rewards overlaps between the volumes complementary to them. We quantitatively demonstrate how this new complementary scoring scheme improves upon existing approaches. PF2 fit also includes two scoring functions, the non-uniform exterior penalty and the skeleton-secondary structure score, and implements the scattering potential score as an alternative to traditional Gaussian blurring. Search. PF2 fit utilizes a fast polar Fourier search scheme, whose main advantage is the ability to search over uniformly and adaptively sampled subsets of the space of rigid-body motions. PF2 fit also implements a new reranking search and scoring methodology that considerably improves alignment metrics in results obtained from the initial search. PMID:26469938

  9. Dual array 3D electron cyclotron emission imaging at ASDEX Upgrade

    SciTech Connect

    Classen, I. G. J. Bogomolov, A. V.; Domier, C. W.; Luhmann, N. C.; Suttrop, W.; Boom, J. E.; Tobias, B. J.; Donné, A. J. H.

    2014-11-15

    In a major upgrade, the (2D) electron cyclotron emission imaging diagnostic (ECEI) at ASDEX Upgrade has been equipped with a second detector array, observing a different toroidal position in the plasma, to enable quasi-3D measurements of the electron temperature. The new system will measure a total of 288 channels, in two 2D arrays, toroidally separated by 40 cm. The two detector arrays observe the plasma through the same vacuum window, both under a slight toroidal angle. The majority of the field lines are observed by both arrays simultaneously, thereby enabling a direct measurement of the 3D properties of plasma instabilities like edge localized mode filaments.

  10. Dual array 3D electron cyclotron emission imaging at ASDEX Upgrade.

    PubMed

    Classen, I G J; Domier, C W; Luhmann, N C; Bogomolov, A V; Suttrop, W; Boom, J E; Tobias, B J; Donné, A J H

    2014-11-01

    In a major upgrade, the (2D) electron cyclotron emission imaging diagnostic (ECEI) at ASDEX Upgrade has been equipped with a second detector array, observing a different toroidal position in the plasma, to enable quasi-3D measurements of the electron temperature. The new system will measure a total of 288 channels, in two 2D arrays, toroidally separated by 40 cm. The two detector arrays observe the plasma through the same vacuum window, both under a slight toroidal angle. The majority of the field lines are observed by both arrays simultaneously, thereby enabling a direct measurement of the 3D properties of plasma instabilities like edge localized mode filaments. PMID:25430246

  11. Colorful holographic display of 3D object based on scaled diffraction by using non-uniform fast Fourier transform

    NASA Astrophysics Data System (ADS)

    Chang, Chenliang; Xia, Jun; Lei, Wei

    2015-03-01

    We proposed a new method to calculate the color computer generated hologram of three-dimensional object in holographic display. The three-dimensional object is composed of several tilted planes which are tilted from the hologram. The diffraction from each tilted plane to the hologram plane is calculated based on the coordinate rotation in Fourier spectrum domains. We used the nonuniform fast Fourier transformation (NUFFT) to calculate the nonuniform sampled Fourier spectrum on the tilted plane after coordinate rotation. By using the NUFFT, the diffraction calculation from tilted plane to the hologram plane with variable sampling rates can be achieved, which overcomes the sampling restriction of FFT in the conventional angular spectrum based method. The holograms of red, green and blue component of the polygon-based object are calculated separately by using our NUFFT based method. Then the color hologram is synthesized by placing the red, green and blue component hologram in sequence. The chromatic aberration caused by the wavelength difference can be solved effectively by restricting the sampling rate of the object in the calculation of each wavelength component. The computer simulation shows the feasibility of our method in calculating the color hologram of polygon-based object. The 3D object can be displayed in color with adjustable size and no chromatic aberration in holographic display system, which can be considered as an important application in the colorful holographic three-dimensional display.

  12. The degree of π electron delocalization and the formation of 3D-extensible sandwich structures.

    PubMed

    Wang, Xiang; Wang, Qiang; Yuan, Caixia; Zhao, Xue-Feng; Li, Jia-Jia; Li, Debao; Wu, Yan-Bo; Wang, Xiaotai

    2016-04-28

    DFT B3LYP/6-31G(d) calculations were performed to examine the feasibility of graphene-like C42H18 and starbenzene C6(BeH)6 (SBz) polymers as ligands of 3D-extensible sandwich compounds (3D-ESCs) with uninterrupted sandwich arrays. The results revealed that sandwich compounds with three or more C42H18 ligands were not feasible. The possible reason may be the localization of π electrons on certain C6 hexagons due to π-metal interactions, which makes the whole ligand lose its electronic structure basis (higher degree of π electron delocalization) to maintain the planar structure. For comparison, with the aid of benzene (Bz) molecules, the SBz polymers can be feasible ligands for designing 3D-ESCs because the C-Be interactions in individual SBz are largely ionic, which will deter the π electrons on one C6 ring from connecting to those on neighbouring C6 rings. This means that high degree of π electron delocalization is not necessary for maintaining the planarity of SBz polymers. Such a locally delocalized π electron structure is desirable for the ligands of 3D-ESCs. Remarkably, the formation of a sandwich compound with SBz is thermodynamically more favourable than that found for bis(Bz)chromium. The assembly of 3D-ESCs is largely exothermic, which will facilitate future experimental synthesis. The different variation trends on the HOMO-LUMO gaps in different directions (relative to the sandwich axes) suggest that they can be developed to form directional conductors or semiconductors, which may be useful in the production of electronic devices. PMID:27004750

  13. 3D structure of eukaryotic flagella/cilia by cryo-electron tomography

    PubMed Central

    Ishikawa, Takashi

    2013-01-01

    Flagella/cilia are motile organelles with more than 400 proteins. To understand the mechanism of such complex systems, we need methods to describe molecular arrange-ments and conformations three-dimensionally in vivo. Cryo-electron tomography enabled us such a 3D structural analysis. Our group has been working on 3D structure of flagella/cilia using this method and revealed highly ordered and beautifully organized molecular arrangement. 3D structure gave us insights into the mechanism to gener-ate bending motion with well defined waveforms. In this review, I summarize our recent structural studies on fla-gella/cilia by cryo-electron tomography, mainly focusing on dynein microtubule-based ATPase motor proteins and the radial spoke, a regulatory protein complex. PMID:27493552

  14. Single-electron pulses for ultrafast diffraction

    PubMed Central

    Aidelsburger, M.; Kirchner, F. O.; Krausz, F.; Baum, P.

    2010-01-01

    Visualization of atomic-scale structural motion by ultrafast electron diffraction and microscopy requires electron packets of shortest duration and highest coherence. We report on the generation and application of single-electron pulses for this purpose. Photoelectric emission from metal surfaces is studied with tunable ultraviolet pulses in the femtosecond regime. The bandwidth, efficiency, coherence, and electron pulse duration are investigated in dependence on excitation wavelength, intensity, and laser bandwidth. At photon energies close to the cathode’s work function, the electron pulse duration shortens significantly and approaches a threshold that is determined by interplay of the optical pulse width and the acceleration field. An optimized choice of laser wavelength and bandwidth results in sub-100-fs electron pulses. We demonstrate single-electron diffraction from polycrystalline diamond films and reveal the favorable influences of matched photon energies on the coherence volume of single-electron wave packets. We discuss the consequences of our findings for the physics of the photoelectric effect and for applications of single-electron pulses in ultrafast 4D imaging of structural dynamics. PMID:21041681

  15. 3D image reconstruction algorithms for cryo-electron-microscopy images of virus particles

    NASA Astrophysics Data System (ADS)

    Doerschuk, Peter C.; Johnson, John E.

    2000-11-01

    A statistical model for the object and the complete image formation process in cryo electron microscopy of viruses is presented. Using this model, maximum likelihood reconstructions of the 3D structure of viruses are computed using the expectation maximization algorithm and an example based on Cowpea mosaic virus is provided.

  16. 3D imaging by serial block face scanning electron microscopy for materials science using ultramicrotomy.

    PubMed

    Hashimoto, Teruo; Thompson, George E; Zhou, Xiaorong; Withers, Philip J

    2016-04-01

    Mechanical serial block face scanning electron microscopy (SBFSEM) has emerged as a means of obtaining three dimensional (3D) electron images over volumes much larger than possible by focused ion beam (FIB) serial sectioning and at higher spatial resolution than achievable with conventional X-ray computed tomography (CT). Such high resolution 3D electron images can be employed for precisely determining the shape, volume fraction, distribution and connectivity of important microstructural features. While soft (fixed or frozen) biological samples are particularly well suited for nanoscale sectioning using an ultramicrotome, the technique can also produce excellent 3D images at electron microscope resolution in a time and resource-efficient manner for engineering materials. Currently, a lack of appreciation of the capabilities of ultramicrotomy and the operational challenges associated with minimising artefacts for different materials is limiting its wider application to engineering materials. Consequently, this paper outlines the current state of the art for SBFSEM examining in detail how damage is introduced during slicing and highlighting strategies for minimising such damage. A particular focus of the study is the acquisition of 3D images for a variety of metallic and coated systems. PMID:26855205

  17. Simulation-Guided 3D Nanomanufacturing via Focused Electron Beam Induced Deposition.

    PubMed

    Fowlkes, Jason D; Winkler, Robert; Lewis, Brett B; Stanford, Michael G; Plank, Harald; Rack, Philip D

    2016-06-28

    Focused electron beam induced deposition (FEBID) is one of the few techniques that enables direct-write synthesis of free-standing 3D nanostructures. While the fabrication of simple architectures such as vertical or curving nanowires has been achieved by simple trial and error, processing complex 3D structures is not tractable with this approach. In part, this is due to the dynamic interplay between electron-solid interactions and the transient spatial distribution of absorbed precursor molecules on the solid surface. Here, we demonstrate the ability to controllably deposit 3D lattice structures at the micro/nanoscale, which have received recent interest owing to superior mechanical and optical properties. A hybrid Monte Carlo-continuum simulation is briefly overviewed, and subsequently FEBID experiments and simulations are directly compared. Finally, a 3D computer-aided design (CAD) program is introduced, which generates the beam parameters necessary for FEBID by both simulation and experiment. Using this approach, we demonstrate the fabrication of various 3D lattice structures using Pt-, Au-, and W-based precursors. PMID:27284689

  18. A Review on Energy Harvesting Using 3D Printed Fabrics for Wearable Electronics

    NASA Astrophysics Data System (ADS)

    Gowthaman, Swaminathan; Chidambaram, Gowri Shankar; Rao, Dilli Babu Govardhana; Subramya, Hemakumar Vyudhayagiri; Chandrasekhar, Udhayagiri

    2016-06-01

    Embedding of energy harvesting systems into wearable health and environment monitoring systems, like integration of smart piezoelectric fibers into soldier fabric structures opens up avenues in generating electricity from natural mechanical movements for self-powering of wearable electronics. Emergence of multitudinous of materials and manufacturing technologies has enabled realization of various energy harvesting systems from mechanical movements. The materials and manufacturing related to 3D printing of energy harvesting fabrics are reviewed in this paper. State-of-the-art energy harvesting sources are briefly described following which an in-depth analysis on the materials and 3D printing techniques for energy harvesting fabrics are presented. While tremendous motivation and opportunity exists for wider-scale adoption of 3D printing for this niche area, the success depends on efficient design of three critical factors namely materials, process and structure. The present review discusses on the complex issues of materials selection, modelling and processing of 3D printed fabrics. The paper culminates by presenting a discussion on how future advancements in 3D printing technology might be useful for development of wearable electronics.

  19. Prediction of spin-dependent electronic structure in 3d-transition-metal doped antimonene

    NASA Astrophysics Data System (ADS)

    Yang, L. F.; Song, Y.; Mi, W. B.; Wang, X. C.

    2016-07-01

    We investigate the geometric structure and electronic and magnetic properties of 3d-transition-metal atom doped antimonene using spin-polarized first-principles calculations. Strong orbital hybridization exhibits between 3d-transition-metal and Sb atoms, where covalent bonds form in antimonene. A spin-polarized semiconducting state appears in Cr-doped antimonene, while half-metallic states appear by doping Ti, V, and Mn. These findings indicate that once combined with doping states, the bands of antimonene systems offer a variety of features. Specific dopants lead to half-metallic characters with high spin polarization that has potential application in spintronics.

  20. Dynamic scattering theory for dark-field electron holography of 3D strain fields.

    PubMed

    Lubk, Axel; Javon, Elsa; Cherkashin, Nikolay; Reboh, Shay; Gatel, Christophe; Hÿtch, Martin

    2014-01-01

    Dark-field electron holography maps strain in crystal lattices into reconstructed phases over large fields of view. Here we investigate the details of the lattice strain-reconstructed phase relationship by applying dynamic scattering theory both analytically and numerically. We develop efficient analytic linear projection rules for 3D strain fields, facilitating a straight-forward calculation of reconstructed phases from 3D strained materials. They are used in the following to quantify the influence of various experimental parameters like strain magnitude, specimen thickness, excitation error and surface relaxation. PMID:24012934

  1. Carbon nanotube based 3-D matrix for enabling three-dimensional nano-magneto-electronics [corrected].

    PubMed

    Hong, Jeongmin; Stefanescu, Eugenia; Liang, Ping; Joshi, Nikhil; Xue, Song; Litvinov, Dmitri; Khizroev, Sakhrat

    2012-01-01

    This letter describes the use of vertically aligned carbon nanotubes (CNT)-based arrays with estimated 2-nm thick cobalt (Co) nanoparticles deposited inside individual tubes to unravel the possibility of using the unique templates for ultra-high-density low-energy 3-D nano-magneto-electronic devices. The presence of oriented 2-nm thick Co layers within individual nanotubes in the CNT-based 3-D matrix is confirmed through VSM measurements as well as an energy-dispersive X-ray spectroscopy (EDS). PMID:22808192

  2. 3D imaging of the early embryonic chicken heart with focused ion beam scanning electron microscopy

    PubMed Central

    Rennie, Monique Y.; Gahan, Curran G.; López, Claudia S.; Thornburg, Kent L.; Rugonyi, Sandra

    2015-01-01

    Early embryonic heart development is a period of dynamic growth and remodeling, with rapid changes occurring at the tissue, cell, and subcellular levels. A detailed understanding of the events that establish the components of the heart wall has been hampered by a lack of methodologies for three dimensional (3D), high-resolution imaging. Focused ion beam-scanning electron microscopy (FIB-SEM) is a novel technology for imaging 3D tissue volumes at the subcellular level. FIB-SEM alternates between imaging the block face with a scanning electron beam and milling away thin sections of tissue with a focused ion beam, allowing for collection and analysis of 3D data. FIB-SEM was used to image the three layers of the day 4 chicken embryo heart: myocardium, cardiac jelly, and endocardium. Individual images obtained with FIB-SEM were comparable in quality and resolution to those obtained with transmission electron microscopy (TEM). Up to 1100 serial images were obtained in 4 nm increments at 4.88 nm resolution, and image stacks were aligned to create volumes 800–1500 μm3 in size. Segmentation of organelles revealed their organization and distinct volume fractions between cardiac wall layers. We conclude that FIB-SEM is a powerful modality for 3D subcellular imaging of the embryonic heart wall. PMID:24742339

  3. A compact electron gun for time-resolved electron diffraction

    SciTech Connect

    Robinson, Matthew S.; Lane, Paul D.; Wann, Derek A.

    2015-01-15

    A novel compact time-resolved electron diffractometer has been built with the primary goal of studying the ultrafast molecular dynamics of photoexcited gas-phase molecules. Here, we discuss the design of the electron gun, which is triggered by a Ti:Sapphire laser, before detailing a series of calibration experiments relating to the electron-beam properties. As a further test of the apparatus, initial diffraction patterns have been collected for thin, polycrystalline platinum samples, which have been shown to match theoretical patterns. The data collected demonstrate the focusing effects of the magnetic lens on the electron beam, and how this relates to the spatial resolution of the diffraction pattern.

  4. A compact electron gun for time-resolved electron diffraction

    NASA Astrophysics Data System (ADS)

    Robinson, Matthew S.; Lane, Paul D.; Wann, Derek A.

    2015-01-01

    A novel compact time-resolved electron diffractometer has been built with the primary goal of studying the ultrafast molecular dynamics of photoexcited gas-phase molecules. Here, we discuss the design of the electron gun, which is triggered by a Ti:Sapphire laser, before detailing a series of calibration experiments relating to the electron-beam properties. As a further test of the apparatus, initial diffraction patterns have been collected for thin, polycrystalline platinum samples, which have been shown to match theoretical patterns. The data collected demonstrate the focusing effects of the magnetic lens on the electron beam, and how this relates to the spatial resolution of the diffraction pattern.

  5. Resonant structure of the 3d electron`s angular distribution in a free Mn{sup +}Ion

    SciTech Connect

    Amusia, M.Y.; Dolmatov, V.K.

    1995-08-01

    The 3d-electron angular anisotropy parameter of the free Mn{sup +} ion is calculated using the {open_quotes}spin-polarized{close_quotes} random-phase approximation with exchange. Strong resonance structure is discovered, which is due to interference with the powerful 3p {yields} 3d discrete excitation. The effect of the 3p {yields} 4s transition is also noticeable. The ordering of these respective resonances with phonon energy increase proved to be opposite in angular anisotropy parameter to that in 3d-photoionization cross section. A paper describing these results was published.

  6. Hollow Cone Electron Imaging for Single Particle 3D Reconstruction of Proteins

    NASA Astrophysics Data System (ADS)

    Tsai, Chun-Ying; Chang, Yuan-Chih; Lobato, Ivan; van Dyck, Dirk; Chen, Fu-Rong

    2016-06-01

    The main bottlenecks for high-resolution biological imaging in electron microscopy are radiation sensitivity and low contrast. The phase contrast at low spatial frequencies can be enhanced by using a large defocus but this strongly reduces the resolution. Recently, phase plates have been developed to enhance the contrast at small defocus but electrical charging remains a problem. Single particle cryo-electron microscopy is mostly used to minimize the radiation damage and to enhance the resolution of the 3D reconstructions but it requires averaging images of a massive number of individual particles. Here we present a new route to achieve the same goals by hollow cone dark field imaging using thermal diffuse scattered electrons giving about a 4 times contrast increase as compared to bright field imaging. We demonstrate the 3D reconstruction of a stained GroEL particle can yield about 13.5 Å resolution but using a strongly reduced number of images.

  7. Hollow Cone Electron Imaging for Single Particle 3D Reconstruction of Proteins.

    PubMed

    Tsai, Chun-Ying; Chang, Yuan-Chih; Lobato, Ivan; Van Dyck, Dirk; Chen, Fu-Rong

    2016-01-01

    The main bottlenecks for high-resolution biological imaging in electron microscopy are radiation sensitivity and low contrast. The phase contrast at low spatial frequencies can be enhanced by using a large defocus but this strongly reduces the resolution. Recently, phase plates have been developed to enhance the contrast at small defocus but electrical charging remains a problem. Single particle cryo-electron microscopy is mostly used to minimize the radiation damage and to enhance the resolution of the 3D reconstructions but it requires averaging images of a massive number of individual particles. Here we present a new route to achieve the same goals by hollow cone dark field imaging using thermal diffuse scattered electrons giving about a 4 times contrast increase as compared to bright field imaging. We demonstrate the 3D reconstruction of a stained GroEL particle can yield about 13.5 Å resolution but using a strongly reduced number of images. PMID:27292544

  8. Injectable 3-D Fabrication of Medical Electronics at the Target Biological Tissues

    NASA Astrophysics Data System (ADS)

    Jin, Chao; Zhang, Jie; Li, Xiaokang; Yang, Xueyao; Li, Jingjing; Liu, Jing

    2013-12-01

    Conventional transplantable biomedical devices generally request sophisticated surgery which however often causes big trauma and serious pain to the patients. Here, we show an alternative way of directly making three-dimensional (3-D) medical electronics inside the biological body through sequential injections of biocompatible packaging material and liquid metal ink. As the most typical electronics, a variety of medical electrodes with different embedded structures were demonstrated to be easily formed at the target tissues. Conceptual in vitro experiments provide strong evidences for the excellent performances of the injectable electrodes. Further in vivo animal experiments disclosed that the formed electrode could serve as both highly efficient ECG (Electrocardiograph) electrode and stimulator electrode. These findings clarified the unique features and practicability of the liquid metal based injectable 3-D fabrication of medical electronics. The present strategy opens the way for directly manufacturing electrophysiological sensors or therapeutic devices in situ via a truly minimally invasive approach.

  9. Injectable 3-D Fabrication of Medical Electronics at the Target Biological Tissues

    PubMed Central

    Jin, Chao; Zhang, Jie; Li, Xiaokang; Yang, Xueyao; Li, Jingjing; Liu, Jing

    2013-01-01

    Conventional transplantable biomedical devices generally request sophisticated surgery which however often causes big trauma and serious pain to the patients. Here, we show an alternative way of directly making three-dimensional (3-D) medical electronics inside the biological body through sequential injections of biocompatible packaging material and liquid metal ink. As the most typical electronics, a variety of medical electrodes with different embedded structures were demonstrated to be easily formed at the target tissues. Conceptual in vitro experiments provide strong evidences for the excellent performances of the injectable electrodes. Further in vivo animal experiments disclosed that the formed electrode could serve as both highly efficient ECG (Electrocardiograph) electrode and stimulator electrode. These findings clarified the unique features and practicability of the liquid metal based injectable 3-D fabrication of medical electronics. The present strategy opens the way for directly manufacturing electrophysiological sensors or therapeutic devices in situ via a truly minimally invasive approach. PMID:24309385

  10. Hollow Cone Electron Imaging for Single Particle 3D Reconstruction of Proteins

    PubMed Central

    Tsai, Chun-Ying; Chang, Yuan-Chih; Lobato, Ivan; Van Dyck, Dirk; Chen, Fu-Rong

    2016-01-01

    The main bottlenecks for high-resolution biological imaging in electron microscopy are radiation sensitivity and low contrast. The phase contrast at low spatial frequencies can be enhanced by using a large defocus but this strongly reduces the resolution. Recently, phase plates have been developed to enhance the contrast at small defocus but electrical charging remains a problem. Single particle cryo-electron microscopy is mostly used to minimize the radiation damage and to enhance the resolution of the 3D reconstructions but it requires averaging images of a massive number of individual particles. Here we present a new route to achieve the same goals by hollow cone dark field imaging using thermal diffuse scattered electrons giving about a 4 times contrast increase as compared to bright field imaging. We demonstrate the 3D reconstruction of a stained GroEL particle can yield about 13.5 Å resolution but using a strongly reduced number of images. PMID:27292544

  11. Simulation-Guided 3D Nanomanufacturing via Focused Electron Beam Induced Deposition

    DOE PAGESBeta

    Fowlkes, Jason D.; Winkler, Robert; Lewis, Brett B.; Stanford, Michael G.; Plank, Harald; Rack, Philip D.

    2016-06-10

    Focused electron beam induced deposition (FEBID) is one of the few techniques that enables direct-write synthesis of free-standing 3D nanostructures. While the fabrication of simple architectures such as vertical or curving nanowires has been achieved by simple trial and error, processing complex 3D structures is not tractable with this approach. This is due, inpart, to the dynamic interplay between electron–solid interactions and the transient spatial distribution of absorbed precursor molecules on the solid surface. Here, we demonstrate the ability to controllably deposit 3D lattice structures at the micro/nanoscale, which have received recent interest owing to superior mechanical and optical properties.more » Moreover, a hybrid Monte Carlo–continuum simulation is briefly overviewed, and subsequently FEBID experiments and simulations are directly compared. Finally, a 3D computer-aided design (CAD) program is introduced, which generates the beam parameters necessary for FEBID by both simulation and experiment. In using this approach, we demonstrate the fabrication of various 3D lattice structures using Pt-, Au-, and W-based precursors.« less

  12. Correlative Confocal and 3D Electron Microscopy of a Specific Sensory Cell

    PubMed Central

    Bohórquez, Diego; Haque, Fariha; Medicetty, Satish; Liddle, Rodger A.

    2015-01-01

    Delineation of a cell’s ultrastructure is important for understanding its function. This can be a daunting project for rare cell types diffused throughout tissues made of diverse cell types, such as enteroendocrine cells of the intestinal epithelium. These gastrointestinal sensors of food and bacteria have been difficult to study because they are dispersed among other epithelial cells at a ratio of 1:1,000. Recently, transgenic reporter mice have been generated to identify enteroendocrine cells by means of fluorescence. One of those is the peptide YY-GFP mouse. Using this mouse, we developed a method to correlate confocal and serial block-face scanning electron microscopy. We named the method cocem3D and applied it to identify a specific enteroendocrine cell in tissue and unveil the cell’s ultrastructure in 3D. The resolution of cocem3D is sufficient to identify organelles as small as secretory vesicles and to distinguish cell membranes for volume rendering. Cocem3D can be easily adapted to study the 3D ultrastructure of other specific cell types in their native tissue. PMID:26273796

  13. Virtual rough samples to test 3D nanometer-scale scanning electron microscopy stereo photogrammetry

    NASA Astrophysics Data System (ADS)

    Villarrubia, J. S.; Tondare, V. N.; Vladár, A. E.

    2016-03-01

    The combination of scanning electron microscopy for high spatial resolution, images from multiple angles to provide 3D information, and commercially available stereo photogrammetry software for 3D reconstruction offers promise for nanometer-scale dimensional metrology in 3D. A method is described to test 3D photogrammetry software by the use of virtual samples—mathematical samples from which simulated images are made for use as inputs to the software under test. The virtual sample is constructed by wrapping a rough skin with any desired power spectral density around a smooth near-trapezoidal line with rounded top corners. Reconstruction is performed with images simulated from different angular viewpoints. The software's reconstructed 3D model is then compared to the known geometry of the virtual sample. Three commercial photogrammetry software packages were tested. Two of them produced results for line height and width that were within close to 1 nm of the correct values. All of the packages exhibited some difficulty in reconstructing details of the surface roughness.

  14. 3D Magnetic Induction Maps of Nanoscale Materials Revealed by Electron Holographic Tomography

    PubMed Central

    2015-01-01

    The investigation of three-dimensional (3D) ferromagnetic nanoscale materials constitutes one of the key research areas of the current magnetism roadmap and carries great potential to impact areas such as data storage, sensing, and biomagnetism. The properties of such nanostructures are closely connected with their 3D magnetic nanostructure, making their determination highly valuable. Up to now, quantitative 3D maps providing both the internal magnetic and electric configuration of the same specimen with high spatial resolution are missing. Here, we demonstrate the quantitative 3D reconstruction of the dominant axial component of the magnetic induction and electrostatic potential within a cobalt nanowire (NW) of 100 nm in diameter with spatial resolution below 10 nm by applying electron holographic tomography. The tomogram was obtained using a dedicated TEM sample holder for acquisition, in combination with advanced alignment and tomographic reconstruction routines. The powerful approach presented here is widely applicable to a broad range of 3D magnetic nanostructures and may trigger the progress of novel spintronic nonplanar nanodevices. PMID:27182110

  15. 3D Atomic Arrangement at Functional Interfaces Inside Nanoparticles by Resonant High-Energy X-ray Diffraction.

    PubMed

    Petkov, Valeri; Prasai, Binay; Shastri, Sarvjit; Chen, Tsan-Yao

    2015-10-21

    With current science and technology moving rapidly into smaller scales, nanometer-sized materials, often referred to as NPs, are produced in increasing numbers and explored for numerous useful applications. Evidence is mounting, however, that useful properties of NPs can be improved further and even new NP functionality achieved by not only controlling the NP size and shape but also interfacing chemically or structurally distinct entities into single, so-called "composite" NPs. A typical example is core-shell NPs wherein the synergy of distinct atoms at the core\\shell interface endows the NPs with otherwise unachievable functionality. However, though advantageous, the concept of functional interfaces inside NPs is still pursued largely by trial-and-error. That is because it is difficut to assess the interfaces precisely at the atomic level using traditional experimental techniques and, hence, difficult to take control of. Using the core\\shell interface in less than 10 nm in size Ru core-Pt shells NPs as an example, we demonstrate that precise knowledge of the 3D atomic arrangement at functional interfaces inside NPs can be obtained by resonant high-energy X-ray diffraction (XRD) coupled to element-specific atomic pair distribution function (PDF) analysis. On the basis of the unique structure knowledge obtained, we scrutinize the still-debatable influence of core\\shell interface on the catalytic functionality of Ru core-Pt shell NPs, thus evidencing the usefulness of this nontraditional technique for practical applications. PMID:26415142

  16. Femtosecond electron diffraction: 'making the molecular movie'.

    PubMed

    Dwyer, Jason R; Hebeisen, Christoph T; Ernstorfer, Ralph; Harb, Maher; Deyirmenjian, Vatche B; Jordan, Robert E; Miller, R J Dwayne

    2006-03-15

    Femtosecond electron diffraction (FED) has the potential to directly observe transition state processes. The relevant motions for this barrier-crossing event occur on the hundred femtosecond time-scale. Recent advances in the development of high-flux electron pulse sources with the required time resolution and sensitivity to capture barrier-crossing processes are described in the context of attaining atomic level details of such structural dynamics-seeing chemical events as they occur. Initial work focused on the ordered-to-disordered phase transition of Al under strong driving conditions for which melting takes on nm or molecular scale dimensions. This work has been extended to Au, which clearly shows a separation in time-scales for lattice heating and melting. It also demonstrates that superheated face-centred cubic (FCC) metals melt through thermal mechanisms involving homogeneous nucleation to propagate the disordering process. A new concept exploiting electron-electron correlation is introduced for pulse characterization and determination of t=0 to within 100fs as well as for spatial manipulation of the electron beam. Laser-based methods are shown to provide further improvements in time resolution with respect to pulse characterization, absolute t=0 determination, and the potential for electron acceleration to energies optimal for time-resolved diffraction. PMID:16483961

  17. Investigation of Charge Gain in Diamond Electron Beam Amplifiers Via 3D Simulations

    SciTech Connect

    Busby,R.; Rao,T.; D.A. Dimitrov, J.R. Cary, I. Ben-Zvi, X. Chang, J. Keister, E. Muller, J. Smedley, Q. Wu

    2009-05-04

    A promising new concept of a diamond amplified photocathode for generation of high-current, high-brightness, and low thermal emittance electron beams was recently proposed and is currently under active development. To better understand the different effects involved in the generation ofelectron beams from diamond, we have been developing models (within the VORPAL computational framework) to simulate secondary electron generation and charge transport. The currently implemented models include inelastic scattering of electrons and holes for generation of electron-hole pairs, elastic, phonon, and charge impurity scattering. We will present results from 3D VORPAL simulations with these capabilities on charge gain as a function of primary electron energy and applied electric field. Moreover, we consider effects of electron and hole cloud expansion (initiated by primary electrons) and separation in a surface domain of diamond.

  18. 3D Structural Fluctuation of IgG1 Antibody Revealed by Individual Particle Electron Tomography

    PubMed Central

    Zhang, Xing; Zhang, Lei; Tong, Huimin; Peng, Bo; Rames, Matthew J.; Zhang, Shengli; Ren, Gang

    2015-01-01

    Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, we derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions. PMID:25940394

  19. 3D structural fluctuation of IgG1 antibody revealed by individual particle electron tomography

    SciTech Connect

    Zhang, Xing; Zhang, Lei; Tong, Huimin; Peng, Bo; Rames, Matthew J.; Zhang, Shengli; Ren, Gang

    2015-05-05

    Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, we derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions.

  20. 3D structural fluctuation of IgG1 antibody revealed by individual particle electron tomography

    DOE PAGESBeta

    Zhang, Xing; Zhang, Lei; Tong, Huimin; Peng, Bo; Rames, Matthew J.; Zhang, Shengli; Ren, Gang

    2015-05-05

    Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, wemore » derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions.« less

  1. Bragg's Law diffraction simulations for electron backscatter diffraction analysis.

    PubMed

    Kacher, Josh; Landon, Colin; Adams, Brent L; Fullwood, David

    2009-08-01

    In 2006, Angus Wilkinson introduced a cross-correlation-based electron backscatter diffraction (EBSD) texture analysis system capable of measuring lattice rotations and elastic strains to high resolution. A variation of the cross-correlation method is introduced using Bragg's Law-based simulated EBSD patterns as strain free reference patterns that facilitates the use of the cross-correlation method with polycrystalline materials. The lattice state is found by comparing simulated patterns to collected patterns at a number of regions on the pattern using the cross-correlation function and calculating the deformation from the measured shifts of each region. A new pattern can be simulated at the deformed state, and the process can be iterated a number of times to converge on the absolute lattice state. By analyzing an iteratively rotated single crystal silicon sample and recovering the rotation, this method is shown to have an angular resolution of approximately 0.04 degrees and an elastic strain resolution of approximately 7e-4. As an example of applications, elastic strain and curvature measurements are used to estimate the dislocation density in a single grain of a compressed polycrystalline Mg-based AZ91 alloy. PMID:19520512

  2. Precession electron diffraction – a topical review

    PubMed Central

    Midgley, Paul A.; Eggeman, Alexander S.

    2015-01-01

    In the 20 years since precession electron diffraction (PED) was introduced, it has grown from a little-known niche technique to one that is seen as a cornerstone of electron crystallography. It is now used primarily in two ways. The first is to determine crystal structures, to identify lattice parameters and symmetry, and ultimately to solve the atomic structure ab initio. The second is, through connection with the microscope scanning system, to map the local orientation of the specimen to investigate crystal texture, rotation and strain at the nanometre scale. This topical review brings the reader up to date, highlighting recent successes using PED and providing some pointers to the future in terms of method development and how the technique can meet some of the needs of the X-ray crystallography community. Complementary electron techniques are also discussed, together with how a synergy of methods may provide the best approach to electron-based structure analysis. PMID:25610633

  3. Precession electron diffraction - a topical review.

    PubMed

    Midgley, Paul A; Eggeman, Alexander S

    2015-01-01

    In the 20 years since precession electron diffraction (PED) was introduced, it has grown from a little-known niche technique to one that is seen as a cornerstone of electron crystallography. It is now used primarily in two ways. The first is to determine crystal structures, to identify lattice parameters and symmetry, and ultimately to solve the atomic structure ab initio. The second is, through connection with the microscope scanning system, to map the local orientation of the specimen to investigate crystal texture, rotation and strain at the nanometre scale. This topical review brings the reader up to date, highlighting recent successes using PED and providing some pointers to the future in terms of method development and how the technique can meet some of the needs of the X-ray crystallography community. Complementary electron techniques are also discussed, together with how a synergy of methods may provide the best approach to electron-based structure analysis. PMID:25610633

  4. SU-C-213-06: Dosimetric Verification of 3D Printed Electron Bolus

    SciTech Connect

    Rasmussen, K; Corbett, M; Pelletier, C; Huang, Z; Feng, Y; Jung, J

    2015-06-15

    Purpose: To determine the dosimetric effect of 3D printed bolus in an anthropomorphic phantom. Methods: Conformable bolus material was generated for an anthropomorphic phantom from a DICOM volume. The bolus generated was a uniform expansion of 5mm applied to the nose region of the phantom, as this is a difficult area to uniformly apply bolus clinically. A Printrbot metal 3D Printer using PLA plastic generated the bolus. A 9MeV anterior beam with a 5cm cone was used to deliver dose to the nose of the phantom. TLD measurements were compared to predicted values at the phantom surface. Film planes were analyzed for the printed bolus, a standard 5mm bolus sheet placed on the phantom, and the phantom with no bolus applied to determine depth and dose distributions. Results: TLDs measured within 2.5% of predicted value for the 3D bolus. Film demonstrated a more uniform dose distribution in the nostril region for the 3d printed bolus than the standard bolus. This difference is caused by the air gap created around the nostrils by the standard bolus, creating a secondary build-up region. Both demonstrated a 50% central axis dose shift of 5mm relative to the no bolus film. HU for the bolus calculated the PLA electron density to be ∼1.1g/cc. Physical density was measured to be 1.3g/cc overall. Conclusion: 3D printed PLA bolus demonstrates improved dosimetric performance to standard bolus for electron beams with complex phantom geometry.

  5. Tensor decomposition in electronic structure calculations on 3D Cartesian grids

    SciTech Connect

    Khoromskij, B.N. Khoromskaia, V.; Chinnamsetty, S.R.; Flad, H.-J.

    2009-09-01

    In this paper, we investigate a novel approach based on the combination of Tucker-type and canonical tensor decomposition techniques for the efficient numerical approximation of functions and operators in electronic structure calculations. In particular, we study applicability of tensor approximations for the numerical solution of Hartree-Fock and Kohn-Sham equations on 3D Cartesian grids. We show that the orthogonal Tucker-type tensor approximation of electron density and Hartree potential of simple molecules leads to low tensor rank representations. This enables an efficient tensor-product convolution scheme for the computation of the Hartree potential using a collocation-type approximation via piecewise constant basis functions on a uniform nxnxn grid. Combined with the Richardson extrapolation, our approach exhibits O(h{sup 3}) convergence in the grid-size h=O(n{sup -1}). Moreover, this requires O(3rn+r{sup 3}) storage, where r denotes the Tucker rank of the electron density with r=O(logn), almost uniformly in n. For example, calculations of the Coulomb matrix and the Hartree-Fock energy for the CH{sub 4} molecule, with a pseudopotential on the C atom, achieved accuracies of the order of 10{sup -6} hartree with a grid-size n of several hundreds. Since the tensor-product convolution in 3D is performed via 1D convolution transforms, our scheme markedly outperforms the 3D-FFT in both the computing time and storage requirements.

  6. Finite-element 3D simulation tools for high-current relativistic electron beams

    NASA Astrophysics Data System (ADS)

    Humphries, Stanley; Ekdahl, Carl

    2002-08-01

    The DARHT second-axis injector is a challenge for computer simulations. Electrons are subject to strong beam-generated forces. The fields are fully three-dimensional and accurate calculations at surfaces are critical. We describe methods applied in OmniTrak, a 3D finite-element code suite that can address DARHT and the full range of charged-particle devices. The system handles mesh generation, electrostatics, magnetostatics and self-consistent particle orbits. The MetaMesh program generates meshes of conformal hexahedrons to fit any user geometry. The code has the unique ability to create structured conformal meshes with cubic logic. Organized meshes offer advantages in speed and memory utilization in the orbit and field solutions. OmniTrak is a versatile charged-particle code that handles 3D electric and magnetic field solutions on independent meshes. The program can update both 3D field solutions from the calculated beam space-charge and current-density. We shall describe numerical methods for orbit tracking on a hexahedron mesh. Topics include: 1) identification of elements along the particle trajectory, 2) fast searches and adaptive field calculations, 3) interpolation methods to terminate orbits on material surfaces, 4) automatic particle generation on multiple emission surfaces to model space-charge-limited emission and field emission, 5) flexible Child law algorithms, 6) implementation of the dual potential model for 3D magnetostatics, and 7) assignment of charge and current from model particle orbits for self-consistent fields.

  7. Texture of B-mode echograms: 3-D simulations and experiments of the effects of diffraction and scatterer density.

    PubMed

    Oosterveld, B J; Thijssen, J M; Verhoef, W A

    1985-04-01

    B-mode echograms were simulated by employing the impulse response method in transmission and reception using a discrete scatterer tissue model, with and without attenuation. The analytic signal approach was used for demodulation of the RF A-mode lines. The simulations were performed in 3-D space and compared to B-mode echograms obtained from experiments with scattering tissue phantoms. The average echo amplitude appeared to increase towards the focus and to decrease beyond it. In the focal zone, the average amplitude increased proportionally to the square root of the scatterer density. The signal to noise ratio (SNR) was found to be independent of depth, i.e., 1.91 as predicted for a Rayleigh distribution of gray levels, although a minimum was found in the focal zone at relatively low scatterer densities. The SNR continuously increased with increasing scatterer density and reached the limit of 1.91 at relatively high densities (greater than 10(4) cm-3). The lateral full width at half maximum (FWHM) of the two dimensional autocovariance function of the speckle increased continuously from the transducer face to far beyond the focus and decreased thereafter due to the diffraction effect. The lateral FWHM decreased proportionally to the logarithm of the scatterer density at low densities and reached a limit at high densities. Introduction of attenuation in the simulated tissue resulted in a much more pronounced depth dependence of the texture. The axial FWHM was independent of the distance to the transducer to a first approximation and decreased slightly with increasing scatterer density until a limit was reached at densities larger than 10(3) cm-3. This limit was in agreement with theory. The experiments confirmed the simulations and it can be concluded that the presented results are of great importance to the understanding of B-mode echograms and to the potential use of the analysis of B-mode texture for tissue characterization. PMID:3909602

  8. Inner-shell excitations of krypton 3d investigated by electron impact with high resolution

    SciTech Connect

    Yuan Zhensheng; Zhu Linfan; Liu Xiaojing; Li Wenbin; Cheng Huadong; Sun Jianmin; Xu Kezun

    2005-06-15

    The inner-shell excitation spectra of krypton 3d electrons were measured at scattering angles of 0 deg. and 4 deg. by a fast-electron energy-loss spectrometer at an incident energy of 2.5 keV with an energy resolution better than 80 meV. Some interesting optically forbidden transitions were observed and the natural widths of the optically allowed and optically forbidden transitions were analyzed. It shows that the natural widths for the resonances having the same core hole are nearly equal, no matter whether they are optically allowed, optically forbidden, or different members of a Rydberg series.

  9. Synthesizing a 3D auditory scene for use in an electronic travel aid for the blind

    NASA Astrophysics Data System (ADS)

    Bujacz, Michał; Strumiłło, Paweł

    2008-01-01

    A system for auditory presentation of 3D scenes to the blind is presented, with the focus of the paper on the synthesis of sound codes suitable to carry important scene information. First, a short review of existing electronic travel aids for the blind (ETAs) is provided. Second, the project of the wearable ETA device, currently under development at the Technical University of Lodz, is outlined, along with the system modules: 3D scene reconstruction, object (obstacle) selection, synthesis of the sound code and the application of head related transfer functions (HRTFs) for generating spatialized sound. The importance of psychoacoustics, especially Bregman's theory of sound streams, is analyzed and proposed methods of sound code synthesis are presented, along with the software used for their verification.

  10. Computational methods for constructing protein structure models from 3D electron microscopy maps

    PubMed Central

    Esquivel-Rodríguez, Juan; Kihara, Daisuke

    2013-01-01

    Protein structure determination by cryo-electron microscopy (EM) has made significant progress in the past decades. Resolutions of EM maps have been improving as evidenced by recently reported structures that are solved at high resolutions close to 3 Å. Computational methods play a key role in interpreting EM data. Among many computational procedures applied to an EM map to obtain protein structure information, in this article we focus on reviewing computational methods that model protein three-dimensional (3D) structures from a 3D EM density map that is constructed from two-dimensional (2D) maps. The computational methods we discuss range from de novo methods, which identify structural elements in an EM map, to structure fitting methods, where known high resolution structures are fit into a low-resolution EM map. A list of available computational tools is also provided. PMID:23796504

  11. Effect of Single-Electron Interface Trapping in Decanano MOSFETs: A 3D Atomistic Simulation Study

    NASA Technical Reports Server (NTRS)

    Asenov, Asen; Balasubramaniam, R.; Brown, A. R.; Davies, J. H.

    2000-01-01

    We study the effect of trapping/detrapping of a single-electron in interface states in the channel of n-type MOSFETs with decanano dimensions using 3D atomistic simulation techniques. In order to highlight the basic dependencies, the simulations are carried out initially assuming continuous doping charge, and discrete localized charge only for the trapped electron. The dependence of the random telegraph signal (RTS) amplitudes on the device dimensions and on the position of the trapped charge in the channel are studied in detail. Later, in full-scale, atomistic simulations assuming discrete charge for both randomly placed dopants and the trapped electron, we highlight the importance of current percolation and of traps with strategic position where the trapped electron blocks a dominant current path.

  12. 3D motion of DNA-Au nanoconjugates in graphene liquid cell electron microscopy.

    PubMed

    Chen, Qian; Smith, Jessica M; Park, Jungwon; Kim, Kwanpyo; Ho, Davy; Rasool, Haider I; Zettl, Alex; Alivisatos, A Paul

    2013-09-11

    Liquid-phase transmission electron microscopy (TEM) can probe and visualize dynamic events with structural or functional details at the nanoscale in a liquid medium. Earlier efforts have focused on the growth and transformation kinetics of hard material systems, relying on their stability under electron beam. Our recently developed graphene liquid cell technique pushed the spatial resolution of such imaging to the atomic scale but still focused on growth trajectories of metallic nanocrystals. Here, we adopt this technique to imaging three-dimensional (3D) dynamics of soft materials instead, double strand (dsDNA) connecting Au nanocrystals as one example, at nanometer resolution. We demonstrate first that a graphene liquid cell can seal an aqueous sample solution of a lower vapor pressure than previously investigated well against the high vacuum in TEM. Then, from quantitative analysis of real time nanocrystal trajectories, we show that the status and configuration of dsDNA dictate the motions of linked nanocrystals throughout the imaging time of minutes. This sustained connecting ability of dsDNA enables this unprecedented continuous imaging of its dynamics via TEM. Furthermore, the inert graphene surface minimizes sample-substrate interaction and allows the whole nanostructure to rotate freely in the liquid environment; we thus develop and implement the reconstruction of 3D configuration and motions of the nanostructure from the series of 2D projected TEM images captured while it rotates. In addition to further proving the nanoconjugate structural stability, this reconstruction demonstrates 3D dynamic imaging by TEM beyond its conventional use in seeing a flattened and dry sample. Altogether, we foresee the new and exciting use of graphene liquid cell TEM in imaging 3D biomolecular transformations or interaction dynamics at nanometer resolution. PMID:23944844

  13. Tunable interplay between 3d and 4f electrons in Co-doped iron pnictides

    NASA Astrophysics Data System (ADS)

    Shang, T.; Yang, L.; Chen, Y.; Cornell, N.; Ronning, F.; Zhang, J. L.; Jiao, L.; Chen, Y. H.; Chen, J.; Howard, A.; Dai, J.; Thompson, J. D.; Zakhidov, A.; Salamon, M. B.; Yuan, H. Q.

    2013-02-01

    We study the interplay of 3d and 4f electrons in the iron pnictides CeFe1-xCoxAsO and GdFe1-yCoyAsO, which correspond to two very different cases of 4f-magnetic moment. Both CeFeAsO and GdFeAsO undergo a spin-density-wave (SDW) transition associated with Fe 3d electrons at high temperatures, which is rapidly suppressed by Fe/Co substitution. Superconductivity appears in a narrow doping range: 0.05electrons form an antiferromagnetic (AFM) order at low temperatures over the entire doping range and Co 3d electrons are ferromagnetically ordered on the Co-rich side; the Curie temperature reaches TCCo≈ 75 K at x=1 and y=1. In the Ce compounds, the Néel temperature TNCe increases upon suppressing the SDW transition of Fe and then remains nearly unchanged with further increasing Co concentration up to x≃0.8 (TNCe≈ 4 K). Furthermore, evidence of Co-induced polarization on Ce moments is observed on the Co-rich side. In the Gd compounds, the two magnetic species of Gd and Co are coupled antiferromagnetically to give rise to ferrimagnetic behavior in the magnetic susceptibility on the Co-rich side. For 0.7≤y<1.0, the system undergoes a possible magnetic reorientation below the Néel temperature of Gd (TNGd). Our results suggest that the effects of both electron hybridizations and magnetic exchange coupling between the 3d-4f electrons give rise to a rich phase diagram in the rare-earth iron pnictides.

  14. Ray tracing technique for global 3-D modeling of ionospheric electron density using GNSS measurements

    NASA Astrophysics Data System (ADS)

    Alizadeh, Mohamad Mahdi; Schuh, Harald; Schmidt, Michael

    2015-06-01

    For space geodetic techniques, operating in microwave band, ionosphere is a dispersive medium; thus, signals traveling through this medium are in the first approximation, affected proportional to the inverse of the square of their frequencies. This effect allows gaining information about the parameters of the ionosphere in terms of total electron content (TEC) or the electron density (Ne). Making use of this phenomenon, space geodetic techniques have turned into a capable tool for studying the ionosphere in the last decades. Up to now, two-dimensional (2-D) models of Vertical TEC (VTEC) have been widely developed and used by different communities; however, due to the fact that these models provide information about the integral of the whole electron content along the vertical or slant raypath, these maps are not useful when information about the ionosphere at different altitude is required. This paper presents a recent study which aims at developing a global 3-D model of the electron density, using measurements from Global Navigation Satellite Systems and by applying the ray tracing technique to the upper atmosphere. The developed modeling approach represents the horizontal variations of the electron density, with two sets of spherical harmonic expansions of degree and order 15. The height dependency of the electron density is represented by a multilayered Chapman profile function for the bottomside and topside ionosphere, and an appropriate model for the plasmasphere. In addition to the geodetic applications of the developed models, within this study, the 3-D models of electron density can include geophysical parameters like maximum electron density and its corresponding height. High-resolution modeling of these parameters allows an improved geophysical interpretation, which is essential in all studies of the upper atmosphere, space weather, and for the solar-terrestrial environment.

  15. Future of Electron Scattering and Diffraction

    SciTech Connect

    Hall, Ernest; Stemmer, Susanne; Zheng, Haimei; Zhu, Yimei; Maracas, George

    2014-02-25

    The ability to correlate the atomic- and nanoscale-structure of condensed matter with physical properties (e.g., mechanical, electrical, catalytic, and optical) and functionality forms the core of many disciplines. Directing and controlling materials at the quantum-, atomic-, and molecular-levels creates enormous challenges and opportunities across a wide spectrum of critical technologies, including those involving the generation and use of energy. The workshop identified next generation electron scattering and diffraction instruments that are uniquely positioned to address these grand challenges. The workshop participants identified four key areas where the next generation of such instrumentation would have major impact: A – Multidimensional Visualization of Real Materials B – Atomic-scale Molecular Processes C – Photonic Control of Emergence in Quantum Materials D – Evolving Interfaces, Nucleation, and Mass Transport Real materials are comprised of complex three-dimensional arrangements of atoms and defects that directly determine their potential for energy applications. Understanding real materials requires new capabilities for three-dimensional atomic scale tomography and spectroscopy of atomic and electronic structures with unprecedented sensitivity, and with simultaneous spatial and energy resolution. Many molecules are able to selectively and efficiently convert sunlight into other forms of energy, like heat and electric current, or store it in altered chemical bonds. Understanding and controlling such process at the atomic scale require unprecedented time resolution. One of the grand challenges in condensed matter physics is to understand, and ultimately control, emergent phenomena in novel quantum materials that necessitate developing a new generation of instruments that probe the interplay among spin, charge, orbital, and lattice degrees of freedom with intrinsic time- and length-scale resolutions. Molecules and soft matter require imaging and

  16. A nanofiber based artificial electronic skin with high pressure sensitivity and 3D conformability.

    PubMed

    Zhong, Weibin; Liu, Qiongzhen; Wu, Yongzhi; Wang, Yuedan; Qing, Xing; Li, Mufang; Liu, Ke; Wang, Wenwen; Wang, Dong

    2016-06-16

    Pressure sensors with 3D conformability are highly desirable components for artificial electronic skin or e-textiles that can mimic natural skin, especially for application in real-time monitoring of human physiological signals. Here, a nanofiber based electronic skin with ultra-high pressure sensitivity and 3D conformability is designed and built by interlocking two elastic patterned nanofibrous membranes. The patterned membrane is facilely prepared by casting conductive nanofiber ink into a silicon mould to form an array of semi-spheroid-like protuberances. The protuberances composed of intertwined elastic POE nanofibers and PPy@PVA-co-PE nanofibers afford a tunable effective elastic modulus that is capable of capturing varied strains and stresses, thereby contributing to a high sensitivity for pressure sensing. This electronic skin-like sensor demonstrates an ultra-high sensitivity (1.24 kPa(-1)) below 150 Pa with a detection limit as low as about 1.3 Pa. The pixelated sensor array and a RGB-LED light are then assembled into a circuit and show a feasibility for visual detection of spatial pressure. Furthermore, a nanofiber based proof-of-concept wireless pressure sensor with a bluetooth module as a signal transmitter is proposed and has demonstrated great promise for wireless monitoring of human physiological signals, indicating a potential for large scale wearable electronic devices or e-skin. PMID:27250529

  17. A compact electron gun for time-resolved electron diffraction.

    PubMed

    Robinson, Matthew S; Lane, Paul D; Wann, Derek A

    2015-01-01

    A novel compact time-resolved electron diffractometer has been built with the primary goal of studying the ultrafast molecular dynamics of photoexcited gas-phase molecules. Here, we discuss the design of the electron gun, which is triggered by a Ti:Sapphire laser, before detailing a series of calibration experiments relating to the electron-beam properties. As a further test of the apparatus, initial diffraction patterns have been collected for thin, polycrystalline platinum samples, which have been shown to match theoretical patterns. The data collected demonstrate the focusing effects of the magnetic lens on the electron beam, and how this relates to the spatial resolution of the diffraction pattern. PMID:25638074

  18. Electron Backscatter Diffraction in Low Vacuum Conditions

    SciTech Connect

    El-Dasher, B S; Torres, S G

    2008-07-17

    Most current scanning electron microscopes (SEMs) have the ability to analyze samples in a low vacuum mode, whereby a partial pressure of water vapor is introduced into the SEM chamber, allowing the characterization of nonconductive samples without any special preparation. Although the presence of water vapor in the chamber degrades electron backscatter diffraction (EBSD) patterns, the potential of this setup for EBSD characterization of nonconductive samples is immense. In this chapter we discuss the requirements, advantages and limitations of low vacuum EBSD (LV-EBSD), and present how this technique can be applied to a two-phase ceramic composite as well as hydrated biominerals as specific examples of when LV-EBSD can be invaluable.

  19. Quantifying recrystallization by electron backscatter diffraction.

    PubMed

    Jazaeri, H; Humphreys, F J

    2004-03-01

    The use of high-resolution electron backscatter diffraction in the scanning electron microscope to quantify the volume fraction of recrystallization and the recrystallization kinetics is discussed. Monitoring the changes of high-angle grain boundary (HAGB) content during annealing is shown to be a reliable method of determining the volume fraction of recrystallization during discontinuous recrystallization, where a large increase in the percentage of high-angle boundaries occurs during annealing. The results are shown to be consistent with the standard methods of studying recrystallization, such as quantitative metallography and hardness testing. Application of the method to a highly deformed material has shown that it can be used to identify the transition from discontinuous to continuous recrystallization during which there is no significant change in the percentage of HAGB during annealing. PMID:15009691

  20. Quantitative metallography by electron backscattered diffraction.

    PubMed

    Humphreys

    1999-09-01

    Although electron backscattered diffraction (EBSD) in the scanning electron microscope is used mainly to investigate the relationship between local textures and microstructures, the technique has now developed to the stage where it requires serious consideration as a tool for routine quantitative characterization of microstructures. This paper examines the application of EBSD to the characterization of phase distributions, grain and subgrain structures and also textures. Comparisons are made with the standard methods of quantitative metallography and it is shown that in many cases EBSD can produce more accurate and detailed measurements than the standard methods and that the data may sometimes be obtained more rapidly. The factors which currently limit the use of EBSD for quantitative microstructural characterization, including the speed of data acquisition and the angular and spatial resolutions, are discussed, and future developments are considered. PMID:10460682

  1. A pulsed electron gun for ultrafast electron diffraction at surfaces.

    PubMed

    Janzen, A; Krenzer, B; Heinz, O; Zhou, P; Thien, D; Hanisch, A; Meyer Zu Heringdorf, F-J; von der Linde, D; Horn von Hoegen, M

    2007-01-01

    The construction of a pulsed electron gun for ultrafast reflection high-energy electron diffraction experiments at surfaces is reported. Special emphasis is placed on the characterization of the electron source: a photocathode, consisting of a 10 nm thin Au film deposited onto a sapphire substrate. Electron pulses are generated by the illumination of the film with ultraviolet laser pulses of femtosecond duration. The photoelectrons are emitted homogeneously across the photocathode with an energy distribution of 0.1 eV width. After leaving the Au film, the electrons are accelerated to kinetic energies of up to 15 keV. Focusing is accomplished by an electrostatic lens. The temporal resolution of the experiment is determined by the probing time of the electrons traveling across the surface which is about 30 ps. However, the duration of the electron pulses can be reduced to less than 6 ps. PMID:17503932

  2. 3-D readout-electronics packaging for high-bandwidth massively paralleled imager

    DOEpatents

    Kwiatkowski, Kris; Lyke, James

    2007-12-18

    Dense, massively parallel signal processing electronics are co-packaged behind associated sensor pixels. Microchips containing a linear or bilinear arrangement of photo-sensors, together with associated complex electronics, are integrated into a simple 3-D structure (a "mirror cube"). An array of photo-sensitive cells are disposed on a stacked CMOS chip's surface at a 45.degree. angle from light reflecting mirror surfaces formed on a neighboring CMOS chip surface. Image processing electronics are held within the stacked CMOS chip layers. Electrical connections couple each of said stacked CMOS chip layers and a distribution grid, the connections for distributing power and signals to components associated with each stacked CSMO chip layer.

  3. Correlated fluorescence and 3D electron microscopy with high sensitivity and spatial precision

    PubMed Central

    Kukulski, Wanda; Schorb, Martin; Welsch, Sonja; Picco, Andrea

    2011-01-01

    Correlative electron and fluorescence microscopy has the potential to elucidate the ultrastructural details of dynamic and rare cellular events, but has been limited by low precision and sensitivity. Here we present a method for direct mapping of signals originating from ∼20 fluorescent protein molecules to 3D electron tomograms with a precision of less than 100 nm. We demonstrate that this method can be used to identify individual HIV particles bound to mammalian cell surfaces. We also apply the method to image microtubule end structures bound to mal3p in fission yeast, and demonstrate that growing microtubule plus-ends are flared in vivo. We localize Rvs167 to endocytic sites in budding yeast, and show that scission takes place halfway through a 10-s time period during which amphiphysins are bound to the vesicle neck. This new technique opens the door for direct correlation of fluorescence and electron microscopy to visualize cellular processes at the ultrastructural scale. PMID:21200030

  4. Self-Consistent 3D Modeling of Electron Cloud Dynamics and Beam Response

    SciTech Connect

    Furman, Miguel; Furman, M.A.; Celata, C.M.; Kireeff-Covo, M.; Sonnad, K.G.; Vay, J.-L.; Venturini, M.; Cohen, R.; Friedman, A.; Grote, D.; Molvik, A.; Stoltz, P.

    2007-04-02

    We present recent advances in the modeling of beam electron-cloud dynamics, including surface effects such as secondary electron emission, gas desorption, etc, and volumetric effects such as ionization of residual gas and charge-exchange reactions. Simulations for the HCX facility with the code WARP/POSINST will be described and their validity demonstrated by benchmarks against measurements. The code models a wide range of physical processes and uses a number of novel techniques, including a large-timestep electron mover that smoothly interpolates between direct orbit calculation and guiding-center drift equations, and a new computational technique, based on a Lorentz transformation to a moving frame, that allows the cost of a fully 3D simulation to be reduced to that of a quasi-static approximation.

  5. Electron Microscopy: From 2D to 3D Images with Special Reference to Muscle

    PubMed Central

    2015-01-01

    This is a brief and necessarily very sketchy presentation of the evolution in electron microscopy (EM) imaging that was driven by the necessity of extracting 3-D views from the essentially 2-D images produced by the electron beam. The lens design of standard transmission electron microscope has not been greatly altered since its inception. However, technical advances in specimen preparation, image collection and analysis gradually induced an astounding progression over a period of about 50 years. From the early images that redefined tissues, cell and cell organelles at the sub-micron level, to the current nano-resolution reconstructions of organelles and proteins the step is very large. The review is written by an investigator who has followed the field for many years, but often from the sidelines, and with great wonder. Her interest in muscle ultrastructure colors the writing. More specific detailed reviews are presented in this issue. PMID:26913146

  6. Scipion: A software framework toward integration, reproducibility and validation in 3D electron microscopy.

    PubMed

    de la Rosa-Trevín, J M; Quintana, A; Del Cano, L; Zaldívar, A; Foche, I; Gutiérrez, J; Gómez-Blanco, J; Burguet-Castell, J; Cuenca-Alba, J; Abrishami, V; Vargas, J; Otón, J; Sharov, G; Vilas, J L; Navas, J; Conesa, P; Kazemi, M; Marabini, R; Sorzano, C O S; Carazo, J M

    2016-07-01

    In the past few years, 3D electron microscopy (3DEM) has undergone a revolution in instrumentation and methodology. One of the central players in this wide-reaching change is the continuous development of image processing software. Here we present Scipion, a software framework for integrating several 3DEM software packages through a workflow-based approach. Scipion allows the execution of reusable, standardized, traceable and reproducible image-processing protocols. These protocols incorporate tools from different programs while providing full interoperability among them. Scipion is an open-source project that can be downloaded from http://scipion.cnb.csic.es. PMID:27108186

  7. 3D scanning electron microscopy applied to surface characterization of fluorosed dental enamel.

    PubMed

    Limandri, Silvina; Galván Josa, Víctor; Valentinuzzi, María Cecilia; Chena, María Emilia; Castellano, Gustavo

    2016-05-01

    The enamel surfaces of fluorotic teeth were studied by scanning electron stereomicroscopy. Different whitening treatments were applied to 25 pieces to remove stains caused by fluorosis and their surfaces were characterized by stereomicroscopy in order to obtain functional and amplitude parameters. The topographic features resulting for each treatment were determined through these parameters. The results obtained show that the 3D reconstruction achieved from the SEM stereo pairs is a valuable potential alternative for the surface characterization of this kind of samples. PMID:26930005

  8. 3D Distribution of the Coronal Electron Density and its Evolution with Solar Cycle

    NASA Astrophysics Data System (ADS)

    Wang, Tongjiang; Reginald, Nelson Leslie; Davila, Joseph M.; St. Cyr, Orville Chris

    2016-05-01

    The variability of the solar white-light corona and its connection to the solar activity has been studied for more than a half century. It is widely accepted that the temporal variation of the total radiance of the K-corona follows the solar cycle pattern (e.g., correlated with sunspot number). However, the origin of this variation and its relationships with regard to coronal mass ejections and the solar wind are yet to be clearly understood. We know that the COR1-A and –B instruments onboard the STEREO spacecraft have continued to perform high-cadence (5 min) polarized brightness measurements from two different vantage points over a long period of time that encompasses the solar minimum of Solar Cycle 23 to the solar maximum of Solar Cycle 24. This extended period of polarized brightness measurements can now be used to reconstruct 3D electron density distributions of the corona between the heliocentric heights of 1.5-4.0 solar radii. In this study we have constructed the 3D coronal density models for 100 Carrington rotations (CRs) from 2007 to 2014 using the spherically symmetric inversion (SSI) method. The validity of these 3D density models is verified by comparing with similar 3D density models created by other means such as tomography, MHD modeling, and 2D density distributions inverted from the polarized brightness images from LASCO/C2 instrument onboard the SOHO spacecraft. When examining the causes for the temporal variation of the global electron content we find that its increase from the solar minimum to maximum depends on changes to both the total area and mean density of coronal streamers. We also find that the global and hemispheric electron contents show quasi-periodic variations with a period of 8-9 CRs during the ascending and maximum phases of Solar Cycle 24 through wavelet analysis. In addition, we also explore any obvious relationships between temporal variation of the global electron content with the photospheric magnetic flux, total mass of

  9. Catching HIV ‘in the act’ with 3D electron microscopy

    PubMed Central

    Earl, Lesley A.; Lifson, Jeffrey D.; Subramaniam, Sriram

    2013-01-01

    The development of a safe, effective vaccine to prevent human immunodeficiency virus (HIV) infection is a key step for controlling the disease on a global scale. However, many aspects of HIV biology make vaccine design problematic, including the sequence diversity and structural variability of the surface envelope glycoproteins and the poor accessibility of neutralization-sensitive epitopes on the virus. In this review, we discuss recent progress in understanding HIV in a structural context using emerging tools in 3D electron microscopy, and outline how some of these advances could be important for a better understanding of mechanisms of viral entry and for vaccine design. PMID:23850373

  10. Neutron powder diffraction study of the layer organic-inorganic hybrid iron(II) methylphosphonate-hydrate, Fe[(CD 3PO 3)(D 2O)

    NASA Astrophysics Data System (ADS)

    Léone, Philippe; Bellitto, Carlo; Bauer, Elvira M.; Righini, Guido; André, Gilles; Bourée, Françoise

    2008-11-01

    The crystal and magnetic structures of the hybrid organic-inorganic layer compound Fe[(CD 3PO 3)(D 2O)] have been studied by neutron powder diffraction as a function of temperature down to 1.5 K. The neutron diffraction pattern recorded at 200 K shows that the fully deuterated compound crystallizes in one of the two known forms of the undeuterated Fe[(CH 3PO 3)(H 2O)]. The crystal structure is orthorhombic, space group Pmn2 1, with the following unit-cell parameters: a=5.7095(1) Å, b=8.8053(3) Å and c=4.7987(1) Å; Z=2. The crystal structure remains unchanged on cooling from 200 to 1.5 K. Moreover, at low temperature, Fe[(CD 3PO 3)(D 2O)] shows a commensurate magnetic structure ( k=(0,0,0)). As revealed by bulk susceptibility measurements on Fe[(CH 3PO 3)(H 2O)], the magnetic structure corresponds to a canted antiferromagnet with a critical temperature TN=25 K. Neutron powder diffraction reveals that below TN=23.5 K the iron magnetic moments in Fe[(CD 3PO 3)(D 2O)] are antiferromagnetically coupled and oriented along the b-axis, perpendicular to the inorganic layers. No ferromagnetic component is observable in the neutron powder diffraction experiment, due to its too small value (<0.1 μB).

  11. A nanofiber based artificial electronic skin with high pressure sensitivity and 3D conformability

    NASA Astrophysics Data System (ADS)

    Zhong, Weibin; Liu, Qiongzhen; Wu, Yongzhi; Wang, Yuedan; Qing, Xing; Li, Mufang; Liu, Ke; Wang, Wenwen; Wang, Dong

    2016-06-01

    Pressure sensors with 3D conformability are highly desirable components for artificial electronic skin or e-textiles that can mimic natural skin, especially for application in real-time monitoring of human physiological signals. Here, a nanofiber based electronic skin with ultra-high pressure sensitivity and 3D conformability is designed and built by interlocking two elastic patterned nanofibrous membranes. The patterned membrane is facilely prepared by casting conductive nanofiber ink into a silicon mould to form an array of semi-spheroid-like protuberances. The protuberances composed of intertwined elastic POE nanofibers and PPy@PVA-co-PE nanofibers afford a tunable effective elastic modulus that is capable of capturing varied strains and stresses, thereby contributing to a high sensitivity for pressure sensing. This electronic skin-like sensor demonstrates an ultra-high sensitivity (1.24 kPa-1) below 150 Pa with a detection limit as low as about 1.3 Pa. The pixelated sensor array and a RGB-LED light are then assembled into a circuit and show a feasibility for visual detection of spatial pressure. Furthermore, a nanofiber based proof-of-concept wireless pressure sensor with a bluetooth module as a signal transmitter is proposed and has demonstrated great promise for wireless monitoring of human physiological signals, indicating a potential for large scale wearable electronic devices or e-skin.Pressure sensors with 3D conformability are highly desirable components for artificial electronic skin or e-textiles that can mimic natural skin, especially for application in real-time monitoring of human physiological signals. Here, a nanofiber based electronic skin with ultra-high pressure sensitivity and 3D conformability is designed and built by interlocking two elastic patterned nanofibrous membranes. The patterned membrane is facilely prepared by casting conductive nanofiber ink into a silicon mould to form an array of semi-spheroid-like protuberances. The

  12. Isolation, electron microscopic imaging, and 3-D visualization of native cardiac thin myofilaments.

    PubMed

    Spiess, M; Steinmetz, M O; Mandinova, A; Wolpensinger, B; Aebi, U; Atar, D

    1999-06-15

    An increasing number of cardiac diseases are currently pinpointed to reside at the level of the thin myofilaments (e.g., cardiomyopathies, reperfusion injury). Hence the aim of our study was to develop a new method for the isolation of mammalian thin myofilaments suitable for subsequent high-resolution electron microscopic imaging. Native cardiac thin myofilaments were extracted from glycerinated porcine myocardial tissue in the presence of protease inhibitors. Separation of thick and thin myofilaments was achieved by addition of ATP and several centrifugation steps. Negative staining and subsequent conventional and scanning transmission electron microscopy (STEM) of thin myofilaments permitted visualization of molecular details; unlike conventional preparations of thin myofilaments, our method reveals the F-actin moiety and allows direct recognition of thin myofilament-associated porcine cardiac troponin complexes. They appear as "bulges" at regular intervals of approximately 36 nm along the actin filaments. Protein analysis using SDS-polyacrylamide gel electrophoresis revealed that only approximately 20% troponin I was lost during the isolation procedure. In a further step, 3-D helical reconstructions were calculated using STEM dark-field images. These 3-D reconstructions will allow further characterization of molecular details, and they will be useful for directly visualizing molecular alterations related to diseased cardiac thin myofilaments (e.g., reperfusion injury, alterations of Ca2+-mediated tropomyosin switch). PMID:10388621

  13. 3D mapping of nanoscale electric potentials in semiconductor structures using electron-holographic tomography

    NASA Astrophysics Data System (ADS)

    Wolf, Daniel; Lubk, Axel; Prete, Paola; Lovergine, Nico; Lichte, Hannes

    2016-09-01

    Off-axis electron holography (EH) is a powerful method for mapping projected electric potentials, such as built-in potentials in semiconductor devices, in two dimensions (2D) at nanometer resolution. However, not well-defined thickness profiles, surface effects, and composition changes of the sample under investigation complicate the interpretation of the projected potentials. Here, we demonstrate how these problems can be overcome by combining EH with tomographic techniques, that is, electron holographic tomography (EHT), reconstructing electric potentials in 3D. We present EHT reconstructions of an n-type MOSFET including its dopant-related built-in potentials inside the device, as well as of a GaAs/AlGaAs core-multishell nanowire containing a 5 nm thick quantum well tube.

  14. 3D structure of eukaryotic flagella in a quiescent state revealed by cryo-electron tomography

    PubMed Central

    Nicastro, Daniela; McIntosh, J. Richard; Baumeister, Wolfgang

    2005-01-01

    We have used cryo-electron tomography to investigate the 3D structure and macromolecular organization of intact, frozen-hydrated sea urchin sperm flagella in a quiescent state. The tomographic reconstructions provide information at a resolution better than 6 nm about the in situ arrangements of macromolecules that are key for flagellar motility. We have visualized the heptameric rings of the motor domains in the outer dynein arm complex and determined that they lie parallel to the plane that contains the axes of neighboring flagellar microtubules. Both the material associated with the central pair of microtubules and the radial spokes display a plane of symmetry that helps to explain the planar beat pattern of these flagella. Cryo-electron tomography has proven to be a powerful technique for helping us understand the relationships between flagellar structure and function and the design of macromolecular machines in situ. PMID:16246999

  15. Design and production of 3D printed bolus for electron radiation therapy.

    PubMed

    Su, Shiqin; Moran, Kathryn; Robar, James L

    2014-01-01

    This is a proof-of-concept study demonstrating the capacity for modulated electron radiation therapy (MERT) dose distributions using 3D printed bolus. Previous reports have involved bolus design using an electron pencil beam model and fabrication using a milling machine. In this study, an in-house algorithm is presented that optimizes the dose distribution with regard to dose coverage, conformity, and homogeneity within the planning target volume (PTV). The algorithm takes advantage of a commercial electron Monte Carlo dose calculation and uses the calculated result as input. Distances along ray lines from the distal side of 90% isodose line to distal surface of the PTV are used to estimate the bolus thickness. Inhomogeneities within the calculation volume are accounted for using the coefficient of equivalent thickness method. Several regional modulation operators are applied to improve the dose coverage and uniformity. The process is iterated (usually twice) until an acceptable MERT plan is realized, and the final bolus is printed using solid polylactic acid. The method is evaluated with regular geometric phantoms, anthropomorphic phantoms, and a clinical rhabdomyosarcoma pediatric case. In all cases the dose conformity are improved compared to that with uniform bolus. For geometric phantoms with air or bone inhomogeneities, the dose homogeneity is markedly improved. The actual printed boluses conform well to the surface of complex anthropomorphic phantoms. The correspondence of the dose distribution between the calculated synthetic bolus and the actual manufactured bolus is shown. For the rhabdomyosarcoma patient, the MERT plan yields a reduction of mean dose by 38.2% in left kidney relative to uniform bolus. MERT using 3D printed bolus appears to be a practical, low-cost approach to generating optimized bolus for electron therapy. The method is effective in improving conformity of the prescription isodose surface and in sparing immediately adjacent normal

  16. An accurate dynamical electron diffraction algorithm for reflection high-energy electron diffraction

    NASA Astrophysics Data System (ADS)

    Huang, J.; Cai, C. Y.; Lv, C. L.; Zhou, G. W.; Wang, Y. G.

    2015-12-01

    The conventional multislice method (CMS) method, one of the most popular dynamical electron diffraction calculation procedures in transmission electron microscopy, was introduced to calculate reflection high-energy electron diffraction (RHEED) as it is well adapted to deal with the deviations from the periodicity in the direction parallel to the surface. However, in the present work, we show that the CMS method is no longer sufficiently accurate for simulating RHEED with the accelerating voltage 3-100 kV because of the high-energy approximation. An accurate multislice (AMS) method can be an alternative for more accurate RHEED calculations with reasonable computing time. A detailed comparison of the numerical calculation of the AMS method and the CMS method is carried out with respect to different accelerating voltages, surface structure models, Debye-Waller factors and glancing angles.

  17. Predicting the Electronic Properties of 3D, Million-atom Semiconductor nanostructure Architectures

    SciTech Connect

    Jack Dongarra; Stanimire Tomov

    2012-03-15

    This final report describes the work done by Jack Dongarra (University Distinguished Professor) and Stanimire Tomov (Research Scientist) related to the DOE project entitled Predicting the Electronic Properties of 3D, Million-Atom Semiconductor Nanostructure Architectures. In this project we addressed the mathematical methodology required to calculate the electronic and transport properties of large nanostructures with comparable accuracy and reliability to that of current ab initio methods. This capability is critical for further developing the field, yet it is missing in all the existing computational methods. Additionally, quantitative comparisons with experiments are often needed for a qualitative understanding of the physics, and for guiding the design of new nanostructures. We focused on the mathematical challenges of the project, in particular on solvers and preconditioners for large scale eigenvalue problems that occur in the computation of electronic states of large nanosystems. Usually, the states of interest lie in the interior of the spectrum and their computation poses great difficulties for existing algorithms. The electronic properties of a semiconductor nanostructure architecture can be predicted/determined by computing its band structure. Of particular importance are the 'band edge states' (electronic states near the energy gap) which can be computed from a properly defined interior eigenvalue problem. Our primary mathematics and computational challenge here has been to develop an efficient solution methodology for finding these interior states for very large systems. Our work has produced excellent results in terms of developing both new and extending current state-of-the-art techniques.

  18. Light control in Ge2Sb2Te5-coated opaline photonic crystals mediated by interplay of Wood anomalies and 3D Bragg diffraction

    NASA Astrophysics Data System (ADS)

    Pevtsov, A. B.; Poddubny, A. N.; Yakovlev, S. A.; Kurdyukov, D. A.; Golubev, V. G.

    2013-04-01

    We present experimental and theoretical study of light reflection spectra from hybrid structures formed by Ge2Sb2Te5 chalcogenide film on top of 3D opaline photonic crystal. We demonstrate the presence of diffraction anomalies (Wood anomalies) in the spectra. These anomalies are caused by the light scattering on the hybrid structure surface of hexagonal symmetry. To interpret the experimental results, we develop a qualitative theoretical model, taking into account the dispersion of quasi-waveguide modes supported by the surface layer of the hybrid structure. We consider the conditions for the coupling between the Bragg resonances associated with the diffraction of light on the 3D opal lattice and the resonances due to Wood anomalies.

  19. CMOS array of photodiodes with electronic processing for 3D optical reconstruction

    NASA Astrophysics Data System (ADS)

    Hornero, Gemma; Montane, Enric; Chapinal, Genis; Moreno, Mauricio; Herms, Atila

    2001-04-01

    It is well known that laser time-of-flight (TOF) and optical triangulation are the most useful optical techniques for distance measurements. The first one is more suitable for large distances, since for short range of distances high modulation frequencies of laser diodes (©200-500MHz) are needed. For these ranges, optical triangulation is simpler, as it is only necessary to read the projection of the laser point over a linear optical sensor without any laser modulation. Laser triangulation is based on the rotation of the object. This motion shifts the projected point over the linear sensor, resulting on 3D information, by means of the whole readout of the linear sensor in each angle position. On the other hand, a hybrid method of triangulation and TOF can be implemented. In this case, a synchronized scanning of a laser beam over the object results in different arrival times of light to each pixel. The 3D information is carried by these delays. Only a single readout of the linear sensor is needed. In this work we present the design of two different linear arrays of photodiodes in CMOS technology, the first one based on the Optical triangulation measurement and the second one based in this hybrid method (TFO). In contrast to PSD (Position Sensitive Device) and CCDs, CMOS technology can include, on the same chip, photodiodes, control and processing electronics, that in the other cases should be implemented with external microcontrollers.

  20. A novel bottom-up copper filling of blind silicon vias in 3D electronic packaging

    NASA Astrophysics Data System (ADS)

    Du, Li; Shi, Tielin; Su, Lei; Xue, Dongmin; Liao, Guanglan

    2015-04-01

    Through silicon via is a promising technology that has benefits of high density, excellent performance and heterogeneous integration for 3D stacked devices, where blind silicon via plating in via first and via middle approaches is widely used. However, using conventional damascene copper plating technology to achieve high quality copper filling of blind vias is very difficult. In this paper, we demonstrate a novel approach for realizing bottom-up copper filling of blind silicon vias. Electroplating of the blind vias is carried out by using a titanium barrier layer, instead of the traditional copper seed layer, as the conductive medium. A vacuum process is introduced to push photoresist completely into the blind vias. By controlling the exposure and development processes, the photoresist at the top and middle of the vias is removed while that at the bottom it is retained for protecting the seed layer. After etching the exposed seed layer, we obtain a unique metal layer structure in which the copper seed layer is reserved at the via bottom, facilitating spontaneous bottom-up plating. Using this approach, we realize high quality copper filling of blind silicon vias of 30 µm in diameter and 120 µm in depth, which will be of noteworthy benefit in 3D electronic packaging.

  1. 3D electromagnetic simulation of spatial autoresonance acceleration of electron beams

    NASA Astrophysics Data System (ADS)

    Dugar-Zhabon, V. D.; González, J. D.; Orozco, E. A.

    2016-02-01

    The results of full electromagnetic simulations of the electron beam acceleration by a TE 112 linear polarized electromagnetic field through Space Autoresonance Acceleration mechanism are presented. In the simulations, both the self-sustaned electric field and selfsustained magnetic field produced by the beam electrons are included into the elaborated 3D Particle in Cell code. In this system, the space profile of the magnetostatic field maintains the electron beams in the acceleration regime along their trajectories. The beam current density evolution is calculated applying the charge conservation method. The full magnetic field in the superparticle positions is found by employing the trilinear interpolation of the mesh node data. The relativistic Newton-Lorentz equation presented in the centered finite difference form is solved using the Boris algorithm that provides visualization of the beam electrons pathway and energy evolution. A comparison between the data obtained from the full electromagnetic simulations and the results derived from the motion equation depicted in an electrostatic approximation is carried out. It is found that the self-sustained magnetic field is a factor which improves the resonance phase conditions and reduces the beam energy spread.

  2. 3D hybrid simulations with gyrokinetic particle ions and fluid electrons

    SciTech Connect

    Belova, E.V.; Park, W.; Fu, G.Y.; Strauss, H.R.; Sugiyama, L.E.

    1998-12-31

    The previous hybrid MHD/particle model (MH3D-K code) represented energetic ions as gyrokinetic (or drift-kinetic) particles coupled to MHD equations using the pressure or current coupling scheme. A small energetic to bulk ion density ratio was assumed, n{sub h}/n{sub b} {much_lt} 1, allowing the neglect of the energetic ion perpendicular inertia in the momentum equation and the use of MHD Ohm`s law E = {minus}v{sub b} {times} B. A generalization of this model in which all ions are treated as gyrokinetic/drift-kinetic particles and fluid description is used for the electron dynamics is considered in this paper.

  3. Investigation of resins suitable for the preparation of biological sample for 3-D electron microscopy.

    PubMed

    Kizilyaprak, Caroline; Longo, Giovanni; Daraspe, Jean; Humbel, Bruno M

    2015-02-01

    In the last two decades, the third-dimension has become a focus of attention in electron microscopy to better understand the interactions within subcellular compartments. Initially, transmission electron tomography (TEM tomography) was introduced to image the cell volume in semi-thin sections (∼ 500 nm). With the introduction of the focused ion beam scanning electron microscope, a new tool, FIB-SEM tomography, became available to image much larger volumes. During TEM tomography and FIB-SEM tomography, the resin section is exposed to a high electron/ion dose such that the stability of the resin embedded biological sample becomes an important issue. The shrinkage of a resin section in each dimension, especially in depth, is a well-known phenomenon. To ensure the dimensional integrity of the final volume of the cell, it is important to assess the properties of the different resins and determine the formulation which has the best stability in the electron/ion beam. Here, eight different resin formulations were examined. The effects of radiation damage were evaluated after different times of TEM irradiation. To get additional information on mass-loss and the physical properties of the resins (stiffness and adhesion), the topography of the irradiated areas was analysed with atomic force microscopy (AFM). Further, the behaviour of the resins was analysed after ion milling of the surface of the sample with different ion currents. In conclusion, two resin formulations, Hard Plus and the mixture of Durcupan/Epon, emerged that were considerably less affected and reasonably stable in the electron/ion beam and thus suitable for the 3-D investigation of biological samples. PMID:25433274

  4. FERM3D: A finite element R-matrix electron molecule scattering code

    NASA Astrophysics Data System (ADS)

    Tonzani, Stefano

    2007-01-01

    FERM3D is a three-dimensional finite element program, for the elastic scattering of a low energy electron from a general polyatomic molecule, which is converted to a potential scattering problem. The code is based on tricubic polynomials in spherical coordinates. The electron-molecule interaction is treated as a sum of three terms: electrostatic, exchange, and polarization. The electrostatic term can be extracted directly from ab initio codes ( GAUSSIAN 98 in the work described here), while the exchange term is approximated using a local density functional. A local polarization potential based on density functional theory [C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785] describes the long range attraction to the molecular target induced by the scattering electron. Photoionization calculations are also possible and illustrated in the present work. The generality and simplicity of the approach is important in extending electron-scattering calculations to more complex targets than it is possible with other methods. Program summaryTitle of program:FERM3D Catalogue identifier:ADYL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADYL_v1_0 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed and others on which it has been tested:Intel Xeon, AMD Opteron 64 bit, Compaq Alpha Operating systems or monitors under which the program has been tested:HP Tru64 Unix v5.1, Red Hat Linux Enterprise 3 Programming language used:Fortran 90 Memory required to execute with typical data:900 MB (neutral CO 2), 2.3 GB (ionic CO 2), 1.4 GB (benzene) No. of bits in a word:32 No. of processors used:1 Has the code been vectorized?:No No. of lines in distributed program, including test data, etc.:58 383 No. of bytes in distributed program, including test data, etc.:561 653 Distribution format:tar.gzip file CPC Program library subprograms used:ADDA, ACDP Nature of physical problem:Scattering of an

  5. Real time reconstruction of 3-D electron density distribution over Europe with TaD profiler

    NASA Astrophysics Data System (ADS)

    Kutiev, Ivan; Marinov, Pencho; Belehaki, Anna

    2015-04-01

    TaD (TSM-assisted Digisonde) profiler, developed on the base of Topside Sounder Model (TSM), provides vertical electron density profile (EDP) from the bottom of ionosphere up to the GNSS orbit heights over Digisonde sounding stations. TaD EDP uses the bottomside profile provided by Digisonde software and extends it above the F layer peak by representing O+ distribution by α-Chapman formula and H+ distribution by a single exponent. The profile above F layer peak takes the topside scale height HT and transition height hT from TSM and plasmasphere scale height Hp defined as a function of HT. All these profile parameters are adjusted to the current conditions by comparing the profile integral with measured GNSS TEC. The latter is taken from GNSS TEC maps produced by Royal Observatory of Belgium in the area (35˚, 60˚)N and (-15˚, 25˚)E. Maps of foF2 and hmF2 are produced in the same area on the base of DIAS (European Digital Upper Atmosphere Server) network of Digisonde stations and TaD profiles are calculated at all grid nodes (1˚x1˚) on latitude and longitude. Electron density at any point of the 3-D space is then obtained by simple interpolation between nodes. Possible use of reconstruction technique to GNSS applications is demonstrated by calculating the distribution of electron density along various ray paths of GNSS signals.

  6. Cellular uptake mechanisms of functionalised multi-walled carbon nanotubes by 3D electron tomography imaging

    NASA Astrophysics Data System (ADS)

    Al-Jamal, Khuloud T.; Nerl, Hannah; Müller, Karin H.; Ali-Boucetta, Hanene; Li, Shouping; Haynes, Peter D.; Jinschek, Joerg R.; Prato, Maurizio; Bianco, Alberto; Kostarelos, Kostas; Porter, Alexandra E.

    2011-06-01

    Carbon nanotubes (CNTs) are being investigated for a variety of biomedical applications. Despite numerous studies, the pathways by which carbon nanotubes enter cells and their subsequent intracellular trafficking and distribution remain poorly determined. Here, we use 3-D electron tomography techniques that offer optimum enhancement of contrast between carbon nanotubes and the plasma membrane to investigate the mechanisms involved in the cellular uptake of shortened, functionalised multi-walled carbon nanotubes (MWNT-NH3+). Both human lung epithelial (A549) cells, that are almost incapable of phagocytosis and primary macrophages, capable of extremely efficient phagocytosis, were used. We observed that MWNT-NH3+ were internalised in both phagocytic and non-phagocytic cells by any one of three mechanisms: (a) individually via membrane wrapping; (b) individually by direct membrane translocation; and (c) in clusters within vesicular compartments. At early time points following intracellular translocation, we noticed accumulation of nanotube material within various intracellular compartments, while a long-term (14-day) study using primary human macrophages revealed that MWNT-NH3+ were able to escape vesicular (phagosome) entrapment by translocating directly into the cytoplasm.Carbon nanotubes (CNTs) are being investigated for a variety of biomedical applications. Despite numerous studies, the pathways by which carbon nanotubes enter cells and their subsequent intracellular trafficking and distribution remain poorly determined. Here, we use 3-D electron tomography techniques that offer optimum enhancement of contrast between carbon nanotubes and the plasma membrane to investigate the mechanisms involved in the cellular uptake of shortened, functionalised multi-walled carbon nanotubes (MWNT-NH3+). Both human lung epithelial (A549) cells, that are almost incapable of phagocytosis and primary macrophages, capable of extremely efficient phagocytosis, were used. We observed

  7. Magnetism and superconductivity at LAO/STO-interfaces: the role of Ti 3d interface electrons

    NASA Astrophysics Data System (ADS)

    Pavlenko, Natalia; Kopp, Thilo; Tsymbal, E. Y.; Sawatzky, G. A.; Mannhart, Jochen

    2012-02-01

    Ferromagnetism and superconductivity are in most cases adverse. However, recent experiments reveal that they coexist at interfaces of LaAlO3 and SrTiO3 [1]. We analyze the ferromagnetic state within density functional theory and provide evidence that it is also generated by Ti 3d interface electrons, as is the two-dimensional electron liquid at the interface which gives rise to superconductivity [2]. We demonstrate that oxygen vacancies in the TiO2 interface layer enhance the tendency for ferromagnetism considerably. This allows for the notion that areas with increased density of oxygen vacancies produce ferromagnetic puddles and account for the previous observation of a superparamagnetic behavior in the superconducting state [3].[4pt] [1] Lu Li, C.Richter, J.Mannhart, and R.C.Ashoori, Nature Physics 7, 762 (2011).[0pt] [2] N. Reyren et al., Science 317, 1196 (2007).[0pt] [3] N.Pavlenko, T.Kopp, E.Y.Tsymbal, G.A.Sawatzky, and J.Mannhart, cond-mat/arXiv:1105.1163 (2011)

  8. 3D imaging of mammalian cells with ion-abrasion scanning electron microscopy.

    PubMed

    Heymann, Jurgen A W; Shi, Dan; Kim, Sang; Bliss, Donald; Milne, Jacqueline L S; Subramaniam, Sriram

    2009-04-01

    Understanding the hierarchical organization of molecules and organelles within the interior of large eukaryotic cells is a challenge of fundamental interest in cell biology. We are using ion-abrasion scanning electron microscopy (IA-SEM) to visualize this hierarchical organization in an approach that combines focused ion-beam milling with scanning electron microscopy. Here, we extend our previous studies on imaging yeast cells to image subcellular architecture in human melanoma cells and melanocytes at resolutions as high as approximately 6 and approximately 20 nm in the directions parallel and perpendicular, respectively, to the direction of ion-beam milling. The 3D images demonstrate the striking spatial relationships between specific organelles such as mitochondria and membranes of the endoplasmic reticulum, and the distribution of unique cellular components such as melanosomes. We also show that 10nm-sized gold particles and quantum dot particles with 7 nm-sized cores can be detected in single cross-sectional images. IA-SEM is thus a useful tool for imaging large mammalian cells in their entirety at resolutions in the nanometer range. PMID:19116171

  9. Correcting for 3D distortion when using backscattered electron detectors in a scanning electron microscope.

    PubMed

    Proctor, Jacob M

    2009-01-01

    A variable pressure scanning electron microscope (VPSEM) can produce a topographic surface relief of a physical object under examination, in addition to its two-dimensional (2D) image. This topographic surface relief is especially helpful when dealing with porous rock because it may elucidate the pore-space structure as well as grain shape and size. Whether the image accurately reproduces the physical object depends on the management of the hardware, acquisition, and postprocessing. Two problems become apparent during testing: (a) a topographic surface relief of a precision ball bearing is distorted and does not correspond to the physical dimensions of the actual sphere and (b) an image of a topographic surface relief of a Berea sandstone is geometrically tilted and topographically distorted even after standard corrections are applied. The procedure presented here is to ensure the veracity of the image, and includes: (a) adjusting the brightness and contrast levels originally provided by the manufacturer and (b) tuning the amplifiers of the backscatter detector plates to be equal to each other, and producing zero voltage when VPSEM is idle. This procedure is tested and verified on the said two physical samples. SCANNING 31: 59-64, 2009. (c) 2009 Wiley Periodicals, Inc. PMID:19204999

  10. MO-H-19A-03: Patient Specific Bolus with 3D Printing Technology for Electron Radiotherapy

    SciTech Connect

    Zou, W; Swann, B; Siderits, R; McKenna, M; Khan, A; Yue, N; Zhang, M; Fisher, T

    2014-06-15

    Purpose: Bolus is widely used in electron radiotherapy to achieve desired dose distribution. 3D printing technologies provide clinicians with easy access to fabricate patient specific bolus accommodating patient body surface irregularities and tissue inhomogeneity. This study presents the design and the clinical workflow of 3D printed bolus for patient electron therapy in our clinic. Methods: Patient simulation CT images free of bolus were exported from treatment planning system (TPS) to an in-house developed software package. Bolus with known material properties was designed in the software package and then exported back to the TPS as a structure. Dose calculation was carried out to examine the coverage of the target. After satisfying dose distribution was achieved, the bolus structure was transferred in Standard Tessellation Language (STL) file format for the 3D printer to generate the machine codes for printing. Upon receiving printed bolus, a quick quality assurance was performed with patient resimulated with bolus in place to verify the bolus dosimetric property before treatment started. Results: A patient specific bolus for electron radiotherapy was designed and fabricated in Form 1 3D printer with methacrylate photopolymer resin. Satisfying dose distribution was achieved in patient with bolus setup. Treatment was successfully finished for one patient with the 3D printed bolus. Conclusion: The electron bolus fabrication with 3D printing technology was successfully implemented in clinic practice.

  11. Using low-contrast negative-tone PMMA at cryogenic temperatures for 3D electron beam lithography.

    PubMed

    Schnauber, Peter; Schmidt, Ronny; Kaganskiy, Arsenty; Heuser, Tobias; Gschrey, Manuel; Rodt, Sven; Reitzenstein, Stephan

    2016-05-13

    We report on a 3D electron beam lithography (EBL) technique using polymethyl methacrylate (PMMA) in the negative-tone regime as a resist. First, we briefly demonstrate 3D EBL at room temperature. Then we concentrate on cryogenic temperatures where PMMA exhibits a low contrast, which allows for straightforward patterning of 3D nano- and microstructures. However, conventional EBL patterning at cryogenic temperatures is found to cause severe damage to the microstructures. Through an extensive study of lithography parameters, exposure techniques, and processing steps we deduce a hypothesis for the cryogenic PMMA's structural evolution under electron beam irradiation that explains the damage. In accordance with this hypothesis, a two step lithography technique involving a wide-area pre-exposure dose slightly smaller than the onset dose is applied. It enables us to demonstrate a >95% process yield for the low-temperature fabrication of 3D microstructures. PMID:27023850

  12. Using low-contrast negative-tone PMMA at cryogenic temperatures for 3D electron beam lithography

    NASA Astrophysics Data System (ADS)

    Schnauber, Peter; Schmidt, Ronny; Kaganskiy, Arsenty; Heuser, Tobias; Gschrey, Manuel; Rodt, Sven; Reitzenstein, Stephan

    2016-05-01

    We report on a 3D electron beam lithography (EBL) technique using polymethyl methacrylate (PMMA) in the negative-tone regime as a resist. First, we briefly demonstrate 3D EBL at room temperature. Then we concentrate on cryogenic temperatures where PMMA exhibits a low contrast, which allows for straightforward patterning of 3D nano- and microstructures. However, conventional EBL patterning at cryogenic temperatures is found to cause severe damage to the microstructures. Through an extensive study of lithography parameters, exposure techniques, and processing steps we deduce a hypothesis for the cryogenic PMMA’s structural evolution under electron beam irradiation that explains the damage. In accordance with this hypothesis, a two step lithography technique involving a wide-area pre-exposure dose slightly smaller than the onset dose is applied. It enables us to demonstrate a >95% process yield for the low-temperature fabrication of 3D microstructures.

  13. FEMTO SECOND ELECTRON BEAM DIFFRACTION USING A PHOTOCATHODE RF GUN.

    SciTech Connect

    WANG,X.J.WU,Z.IHEE,H.

    2003-05-12

    One of the 21st century scientific frontiers is to explore the molecule structure transition on the femtosecond time scale. X-ray free electron laser (XFEL) is one of the tools now under development for investigating femto-second structure transition. We are proposing an alternative technique--femto-second electron diffraction based on a photocathode RF gun. We will present a design of a kHz femto-seconds electron diffraction system based on a photocathode RF gun. Our simulation shows that, the photocathode RF gun can produce 100 fs (FWHM) electron bunch with millions electrons at about 2 MeV. This is at least one order of magnitude reduction in bunch length, and two orders of magnitude increase in number of electrons comparing to present time-resolved electron diffraction system. We will also discuss various issues and limitations related to MeV electron diffraction.

  14. The Heisenberg Uncertainty Principle Demonstrated with An Electron Diffraction Experiment

    ERIC Educational Resources Information Center

    Matteucci, Giorgio; Ferrari, Loris; Migliori, Andrea

    2010-01-01

    An experiment analogous to the classical diffraction of light from a circular aperture has been realized with electrons. The results are used to introduce undergraduate students to the wave behaviour of electrons. The diffraction fringes produced by the circular aperture are compared to those predicted by quantum mechanics and are exploited to…

  15. A resource from 3D electron microscopy of hippocampal neuropil for user training and tool development

    PubMed Central

    Harris, Kristen M.; Spacek, Josef; Bell, Maria Elizabeth; Parker, Patrick H.; Lindsey, Laurence F.; Baden, Alexander D.; Vogelstein, Joshua T.; Burns, Randal

    2015-01-01

    Resurgent interest in synaptic circuitry and plasticity has emphasized the importance of 3D reconstruction from serial section electron microscopy (3DEM). Three volumes of hippocampal CA1 neuropil from adult rat were imaged at X-Y resolution of ~2 nm on serial sections of ~50–60 nm thickness. These are the first densely reconstructed hippocampal volumes. All axons, dendrites, glia, and synapses were reconstructed in a cube (~10 μm3) surrounding a large dendritic spine, a cylinder (~43 μm3) surrounding an oblique dendritic segment (3.4 μm long), and a parallelepiped (~178 μm3) surrounding an apical dendritic segment (4.9 μm long). The data provide standards for identifying ultrastructural objects in 3DEM, realistic reconstructions for modeling biophysical properties of synaptic transmission, and a test bed for enhancing reconstruction tools. Representative synapses are quantified from varying section planes, and microtubules, polyribosomes, smooth endoplasmic reticulum, and endosomes are identified and reconstructed in a subset of dendrites. The original images, traces, and Reconstruct software and files are freely available and visualized at the Open Connectome Project (Data Citation 1). PMID:26347348

  16. Electronic and spectroscopic properties of early 3d metal atoms on a graphite surface

    NASA Astrophysics Data System (ADS)

    Rakotomahevitra, A.; Garreau, G.; Demangeat, C.; Parlebas, J. C.

    1995-07-01

    High-sensitivity magneto-optic Kerr effect experiments failed to detect manifestations of magnetism in epitaxial films of V on Ag(100) substrates. More recently V 3s XPS of freshly evaporated V clusters on graphite exhibited the appearance of a satellite structure which has then been interpreted by the effect of surface magnetic moments on V. It is the absence of unambiguous results on the electronic properties of early 3d supported metals that prompts us to examine the problem. Our purpose is twofold. In a first part, after a total energy calculation within a tight-binding method which yields the equilibrium position of a given adatom, we use the Hartree-Fock approximation to find out a possible magnetic solution of V (or Cr) upon graphite for a reasonable value of the exchange integral Jdd. In a second part the informations given by the density of states of the graphite surface as well as the additional states of the adsorbed atom are taken into account through a generalised impurity Anderson Hamiltonian which incorporates the various Coulomb and exchange interactions necessary to analyse the 3s XPS results.

  17. Single Particle Cryo-electron Microscopy and 3-D Reconstruction of Viruses

    PubMed Central

    Guo, Fei; Jiang, Wen

    2014-01-01

    With fast progresses in instrumentation, image processing algorithms, and computational resources, single particle electron cryo-microscopy (cryo-EM) 3-D reconstruction of icosahedral viruses has now reached near-atomic resolutions (3–4 Å). With comparable resolutions and more predictable outcomes, cryo-EM is now considered a preferred method over X-ray crystallography for determination of atomic structure of icosahedral viruses. At near-atomic resolutions, all-atom models or backbone models can be reliably built that allow residue level understanding of viral assembly and conformational changes among different stages of viral life cycle. With the developments of asymmetric reconstruction, it is now possible to visualize the complete structure of a complex virus with not only its icosahedral shell but also its multiple non-icosahedral structural features. In this chapter, we will describe single particle cryo-EM experimental and computational procedures for both near-atomic resolution reconstruction of icosahedral viruses and asymmetric reconstruction of viruses with both icosahedral and non-icosahedral structure components. Procedures for rigorous validation of the reconstructions and resolution evaluations using truly independent de novo initial models and refinements are also introduced. PMID:24357374

  18. Quantum Criticality of Topological Phase Transitions in 3D Interacting Electronic Systems

    NASA Astrophysics Data System (ADS)

    Moon, Eun Gook; Yang, Bohm-Jung; Isobe, Hiroki; Nagaosa, Naoto

    2014-03-01

    We investigate the quantum criticality of topological phase transitions in three dimensional (3D) interacting electronic systems lacking either the time-reversal symmetry or the inversion symmetry. The minimal model, Weyl fermions with anisotropic dispersion relation, is suggested as the quantum critical theory based on the zerochirality condition. The interplay between the fermions and the long range Coulomb interaction is investigated by the standard renormalization group (RG) approach. We find that the quantum fluctuations of the anisotropic Weyl fermions induce the anisotropic partial screening of the Coulomb interaction, which eventually makes the Coulomb interaction irrelevant. It is in sharp contrast to the quantum criticality of conventional semi-metallic phases such as graphene where physical quantities receive logarithmic corrections from the marginal Coulomb interaction. Thus, the critical point is described by the non-interacting fermion theory allowing the complete theoretical understanding of the problem. The renormalized Coulomb potential shows the anisotropic power law. Its physical consequence is further illustrated by the screening problem of a charged impurity due to anisotropic Weyl fermions.

  19. A resource from 3D electron microscopy of hippocampal neuropil for user training and tool development.

    PubMed

    Harris, Kristen M; Spacek, Josef; Bell, Maria Elizabeth; Parker, Patrick H; Lindsey, Laurence F; Baden, Alexander D; Vogelstein, Joshua T; Burns, Randal

    2015-01-01

    Resurgent interest in synaptic circuitry and plasticity has emphasized the importance of 3D reconstruction from serial section electron microscopy (3DEM). Three volumes of hippocampal CA1 neuropil from adult rat were imaged at X-Y resolution of ~2 nm on serial sections of ~50-60 nm thickness. These are the first densely reconstructed hippocampal volumes. All axons, dendrites, glia, and synapses were reconstructed in a cube (~10 μm(3)) surrounding a large dendritic spine, a cylinder (~43 μm(3)) surrounding an oblique dendritic segment (3.4 μm long), and a parallelepiped (~178 μm(3)) surrounding an apical dendritic segment (4.9 μm long). The data provide standards for identifying ultrastructural objects in 3DEM, realistic reconstructions for modeling biophysical properties of synaptic transmission, and a test bed for enhancing reconstruction tools. Representative synapses are quantified from varying section planes, and microtubules, polyribosomes, smooth endoplasmic reticulum, and endosomes are identified and reconstructed in a subset of dendrites. The original images, traces, and Reconstruct software and files are freely available and visualized at the Open Connectome Project (Data Citation 1). PMID:26347348

  20. Portable high-intensity focused ultrasound system with 3D electronic steering, real-time cavitation monitoring, and 3D image reconstruction algorithms: a preclinical study in pigs

    PubMed Central

    2014-01-01

    Purpose: The aim of this study was to evaluate the safety and accuracy of a new portable ultrasonography-guided high-intensity focused ultrasound (USg-HIFU) system with a 3-dimensional (3D) electronic steering transducer, a simultaneous ablation and imaging module, real-time cavitation monitoring, and 3D image reconstruction algorithms. Methods: To address the accuracy of the transducer, hydrophones in a water chamber were used to assess the generation of sonic fields. An animal study was also performed in five pigs by ablating in vivo thighs by single-point sonication (n=10) or volume sonication (n=10) and ex vivo kidneys by single-point sonication (n=10). Histological and statistical analyses were performed. Results: In the hydrophone study, peak voltages were detected within 1.0 mm from the targets on the y- and z-axes and within 2.0-mm intervals along the x-axis (z-axis, direction of ultrasound propagation; y- and x-axes, perpendicular to the direction of ultrasound propagation). Twenty-nine of 30 HIFU sessions successfully created ablations at the target. The in vivo porcine thigh study showed only a small discrepancy (width, 0.5-1.1 mm; length, 3.0 mm) between the planning ultrasonograms and the pathological specimens. Inordinate thermal damage was not observed in the adjacent tissues or sonic pathways in the in vivo thigh and ex vivo kidney studies. Conclusion: Our study suggests that this new USg-HIFU system may be a safe and accurate technique for ablating soft tissues and encapsulated organs. PMID:25038809

  1. Digital electron diffraction – seeing the whole picture

    SciTech Connect

    Beanland, Richard; Thomas, Paul J.; Woodward, David I.; Thomas, Pamela A.; Roemer, Rudolf A.

    2013-07-01

    Computer control of beam tilt and image capture allows the collection of electron diffraction patterns over a large angular range, without any overlap in diffraction data and from a region limited only by the size of the electron beam. This results in a significant improvement in data volumes and ease of interpretation. The advantages of convergent-beam electron diffraction for symmetry determination at the scale of a few nm are well known. In practice, the approach is often limited due to the restriction on the angular range of the electron beam imposed by the small Bragg angle for high-energy electron diffraction, i.e. a large convergence angle of the incident beam results in overlapping information in the diffraction pattern. Techniques have been generally available since the 1980s which overcome this restriction for individual diffracted beams, by making a compromise between illuminated area and beam convergence. Here a simple technique is described which overcomes all of these problems using computer control, giving electron diffraction data over a large angular range for many diffracted beams from the volume given by a focused electron beam (typically a few nm or less). The increase in the amount of information significantly improves the ease of interpretation and widens the applicability of the technique, particularly for thin materials or those with larger lattice parameters.

  2. Validation of three-dimensional diffraction contrast tomography reconstructions by means of electron backscatter diffraction characterization

    PubMed Central

    Syha, Melanie; Trenkle, Andreas; Lödermann, Barbara; Graff, Andreas; Ludwig, Wolfgang; Weygand, Daniel; Gumbsch, Peter

    2013-01-01

    Microstructure reconstructions resulting from diffraction contrast tomography data of polycrystalline bulk strontium titanate were reinvestigated by means of electron backscatter diffraction (EBSD) characterization. Corresponding two-dimensional grain maps from the two characterization methods were aligned and compared, focusing on the spatial resolution at the internal interfaces. The compared grain boundary networks show a remarkably good agreement both morphologically and in crystallographic orientation. Deviations are critically assessed and discussed in the context of diffraction data reconstruction and EBSD data collection techniques. PMID:24046507

  3. 3D printed electromagnetic transmission and electronic structures fabricated on a single platform using advanced process integration techniques

    NASA Astrophysics Data System (ADS)

    Deffenbaugh, Paul Issac

    3D printing has garnered immense attention from many fields including in-office rapid prototyping of mechanical parts, outer-space satellite replication, garage functional firearm manufacture, and NASA rocket engine component fabrication. 3D printing allows increased design flexibility in the fabrication of electronics, microwave circuits and wireless antennas and has reached a level of maturity which allows functional parts to be printed. Much more work is necessary in order to perfect the processes of 3D printed electronics especially in the area of automation. Chapter 1 shows several finished prototypes of 3D printed electronics as well as newly developed techniques in fabrication. Little is known about the RF and microwave properties and applications of the standard materials which have been developed for 3D printing. Measurement of a wide variety of materials over a broad spectrum of frequencies up to 10 GHz using a variety of well-established measurement methods is performed throughout chapter 2. Several types of high frequency RF transmission lines are fabricated and valuable model-matched data is gathered and provided in chapter 3 for future designers' use. Of particular note is a fully 3D printed stripline which was automatically fabricated in one process on one machine. Some core advantages of 3D printing RF/microwave components include rapid manufacturing of complex, dimensionally sensitive circuits (such as antennas and filters which are often iteratively tuned) and the ability to create new devices that cannot be made using standard fabrication techniques. Chapter 4 describes an exemplary fully 3D printed curved inverted-F antenna.

  4. Study of Electron Acceleration and Multiple Dipolarization Fronts in 3D kinetic models

    NASA Astrophysics Data System (ADS)

    Lapenta, Giovanni; Ashour-Abdalla, Maha; Walker, Raymond; El-Alaoui, Mostafa

    2014-05-01

    . [1] Ashour-Abdalla, Maha, et al. "Observations and simulations of non-local acceleration of electrons in magnetotail magnetic reconnection events." Nature Physics 7.4 (2011): 360-365. [2] Markidis, Stefano, and Giovanni Lapenta. "Multi-scale simulations of plasma with iPIC3D." Mathematics and Computers in Simulation 80.7 (2010): 1509-1519. [3] Baumann, G., Troels Haugbølle, and Å. Nordlund. "Kinetic Modeling of Particle Acceleration in a Solar Null-point Reconnection Region." The Astrophysical Journal 771.2 (2013): 93. [4] Daldorff, L. K. S., et al. "Coupling the BATS-R-US global MHD code with the implicit particle-in-cell code iPIC3D." Bulletin of the American Physical Society 58 (2013).

  5. Compression of Electron Pulses for Femtosecond Electron Diffraction

    NASA Astrophysics Data System (ADS)

    Zandi, Omid; Yang, Jie; Centurion, Martin

    2014-05-01

    Our goal is to improve the temporal resolution in electron diffraction experiments to 100 fs by compressing the electron pulses using a time-varying electric field. The compressed pulse can be used for a better understanding of the dynamics of molecules under study. A bunch of 3 million electrons is generated at a photocathode by femtosecond UV laser pulses and accelerated to 100 keV in a static electric field. Then, the longitudinal component of the electric field of a microwave cavity is employed to compress the bunch. The cavity's frequency and phase are accurately tuned in such a way that the electric field is parallel to the bunch motion at its arrival and antiparallel to it at its exit. Compression in the transverse directions is done by magnetic lenses. Simulations have been done to predict the bunch profile at different positions and times by General Particle Tracer code. A streak camera has been built to measure the duration of the pulses. It uses the electric field of a discharging parallel plate capacitor to rotate the bunch so that angular spreading of the bunch is proportional to its duration. The capacitor is discharged by a laser pulse incident on a photo switch.

  6. Electron Vortex Production and Control Using Aberration Induced Diffraction Catastrophes

    NASA Astrophysics Data System (ADS)

    Petersen, T. C.; Weyland, M.; Paganin, D. M.; Simula, T. P.; Eastwood, S. A.; Morgan, M. J.

    2013-01-01

    An aberration corrected electron microscope is used to create electron diffraction catastrophes, containing arrays of intensity zeros threading vortex cores. Vortices are ascribed to these arrays using catastrophe theory, scalar diffraction integrals, and experimentally retrieved phase maps. From measured wave function phases, obtained using focal-series phase retrieval, the orbital angular momentum density is mapped for highly astigmatic electron probes. We observe vortex rings and topological reconnections of nodal lines by tracking the vortex cores using the retrieved phases.

  7. Pulse requirements for electron diffraction imaging of single biological molecules

    SciTech Connect

    Hau-Riege, S; London, R; Chapman, H

    2004-10-20

    The pulse requirements for electron diffraction imaging of single biological molecules are calculated. We find that the electron fluence and pulse length requirements imposed by the damage limit and by the need to classify the diffraction patterns according to their angular orientation cannot be achieved with today's electron beam technology. A simple analytical model shows that the pulse requirements cannot be achieved due to beam broadening due to spacecharge effects.

  8. Data acquisition electronics and reconstruction software for real time 3D track reconstruction within the MIMAC project

    NASA Astrophysics Data System (ADS)

    Bourrion, O.; Bosson, G.; Grignon, C.; Bouly, J. L.; Richer, J. P.; Guillaudin, O.; Mayet, F.; Billard, J.; Santos, D.

    2011-11-01

    Directional detection of non-baryonic Dark Matter requires 3D reconstruction of low energy nuclear recoils tracks. A gaseous micro-TPC matrix, filled with either 3He, CF4 or C4H10 has been developed within the MIMAC project. A dedicated acquisition electronics and a real time track reconstruction software have been developed to monitor a 512 channel prototype. This auto-triggered electronic uses embedded processing to reduce the data transfer to its useful part only, i.e. decoded coordinates of hit tracks and corresponding energy measurements. An acquisition software with on-line monitoring and 3D track reconstruction is also presented.

  9. Diffractive centrosymmetric 3D-transmission phase gratings positioned at the image plane of optical systems transform lightlike 4D-WORLD as tunable resonators into spectral metrics...

    NASA Astrophysics Data System (ADS)

    Lauinger, Norbert

    1999-08-01

    Diffractive 3D phase gratings of spherical scatterers dense in hexagonal packing geometry represent adaptively tunable 4D-spatiotemporal filters with trichromatic resonance in visible spectrum. They are described in the (lambda) - chromatic and the reciprocal (nu) -aspects by reciprocal geometric translations of the lightlike Pythagoras theorem, and by the direction cosine for double cones. The most elementary resonance condition in the lightlike Pythagoras theorem is given by the transformation of the grating constants gx, gy, gz of the hexagonal 3D grating to (lambda) h1h2h3 equals (lambda) 111 with cos (alpha) equals 0.5. Through normalization of the chromaticity in the von Laue-interferences to (lambda) 111, the (nu) (lambda) equals (lambda) h1h2h3/(lambda) 111-factor of phase velocity becomes the crucial resonance factor, the 'regulating device' of the spatiotemporal interaction between 3D grating and light, space and time. In the reciprocal space equal/unequal weights and times in spectral metrics result at positions of interference maxima defined by hyperbolas and circles. A database becomes built up by optical interference for trichromatic image preprocessing, motion detection in vector space, multiple range data analysis, patchwide multiple correlations in the spatial frequency spectrum, etc.

  10. Diffraction imaging with electrons from an ultracold plasma source

    NASA Astrophysics Data System (ADS)

    Saliba, S. D.; Sheludko, D. V.; McCulloch, A. J.; Junker, M.; Bell, S. C.; Quiney, H. M.; Scholten, R. E.

    2010-03-01

    The molecular structure of biological molecules such as bacteriorhodopsin can be determined by electron diffraction, but general application has been limited by the brightness of conventional electron sources. Brightness is proportional to current and inversely proportional to electron temperature. A high brightness electron source from cold atom clouds presents a promising alternative to traditional high temperature (104 K) sources. Cold atoms in a MOT can be photoionized just above threshold, releasing electron bunches with temperatures as low as 10 K. Although the number of electrons that can be extracted from a MOT is relatively small, the reduced temperature may enable brightness competitive with conventional alternatives. We have simulated electron diffraction from electron microscopy grids and 2D arrays of simple molecules, exploring the energy, coherence and brightness requirements for practical diffraction imaging.

  11. Calibrating MMS Electron Drift Instrument (EDI) Ambient Electron Flux Measurements and Characterizing 3D Electric Field Signatures of Magnetic Reconnection

    NASA Astrophysics Data System (ADS)

    Shuster, J. R.; Torbert, R. B.; Vaith, H.; Argall, M. R.; Li, G.; Chen, L. J.; Ergun, R. E.; Lindqvist, P. A.; Marklund, G. T.; Khotyaintsev, Y. V.; Russell, C. T.; Magnes, W.; Le Contel, O.; Pollock, C. J.; Giles, B. L.

    2015-12-01

    The electron drift instruments (EDIs) onboard each MMS spacecraft are designed with large geometric factors (~0.01cm2 str) to facilitate detection of weak (~100 nA) electron beams fired and received by the two gun-detector units (GDUs) when EDI is in its "electric field mode" to determine the local electric and magnetic fields. A consequence of the large geometric factor is that "ambient mode" electron flux measurements (500 eV electrons having 0°, 90°, or 180° pitch angle) can vary depending on the orientation of the EDI instrument with respect to the magnetic field, a nonphysical effect that requires a correction. Here, we present determinations of the θ- and ø-dependent correction factors for the eight EDI GDUs, where θ (ø) is the polar (azimuthal) angle between the GDU symmetry axis and the local magnetic field direction, and compare the corrected fluxes with those measured by the fast plasma instrument (FPI). Using these corrected, high time resolution (~1,000 samples per second) ambient electron fluxes, combined with the unprecedentedly high resolution 3D electric field measurements taken by the spin-plane and axial double probes (SDP and ADP), we are equipped to accurately detect electron-scale current layers and electric field waves associated with the non-Maxwellian (anisotropic and agyrotropic) particle distribution functions predicted to exist in the reconnection diffusion region. We compare initial observations of the diffusion region with distributions and wave analysis from PIC simulations of asymmetric reconnection applicable for modeling reconnection at the Earth's magnetopause, where MMS will begin Science Phase 1 as of September 1, 2015.

  12. Sizable electron/neutron electric dipole moment in D 3 /D 7 μ -split supersymmetry

    NASA Astrophysics Data System (ADS)

    Dhuria, Mansi; Misra, Aalok

    2014-10-01

    0-32) cm from a one-loop diagram involving a heavy chargino and a light Higgs as propagators in the loop. The neutron EDM gets a dominant contribution of the order dn/e ≡O (1 0-33) cm from the one-loop diagram involving SM-like quarks and Higgs. To justify the possibility of obtaining a large EDM value in the case of a Barr-Zee diagram which involves W± and the Higgs (responsible to generate the nontrivial C P -violating phase) in the two-loop diagrams as discussed by Leigh et al. [Nucl. Phys. B267, 509 (1986)], we provide an analysis of the same in the context of our D 3 /D 7 μ -split SUSY model at the EW scale. By conjecturing that the C P -violating phase can appear from the diagonalization of the Higgs mass matrix obtained in the context of μ -split SUSY, we also get an EDM of the electron/neutron around O (1 0-27) e cm in the case of the two-loop diagram involving W± bosons.

  13. Ultra-high voltage electron microscopy of primitive algae illuminates 3D ultrastructures of the first photosynthetic eukaryote

    PubMed Central

    Takahashi, Toshiyuki; Nishida, Tomoki; Saito, Chieko; Yasuda, Hidehiro; Nozaki, Hisayoshi

    2015-01-01

    A heterotrophic organism 1–2 billion years ago enslaved a cyanobacterium to become the first photosynthetic eukaryote, and has diverged globally. The primary phototrophs, glaucophytes, are thought to retain ancestral features of the first photosynthetic eukaryote, but examining the protoplast ultrastructure has previously been problematic in the coccoid glaucophyte Glaucocystis due to its thick cell wall. Here, we examined the three-dimensional (3D) ultrastructure in two divergent species of Glaucocystis using ultra-high voltage electron microscopy. Three-dimensional modelling of Glaucocystis cells using electron tomography clearly showed that numerous, leaflet-like flattened vesicles are distributed throughout the protoplast periphery just underneath a single-layered plasma membrane. This 3D feature is essentially identical to that of another glaucophyte genus Cyanophora, as well as the secondary phototrophs in Alveolata. Thus, the common ancestor of glaucophytes and/or the first photosynthetic eukaryote may have shown similar 3D structures. PMID:26439276

  14. X-Ray-Diffraction Tests Of Irradiated Electronic Devices: II

    NASA Technical Reports Server (NTRS)

    Shaw, David C.; Lowry, Lynn E.; Barnes, Charles E.

    1993-01-01

    Report describes research on use of x-ray diffraction to measure stresses in metal conductors of complementary metal oxide/semiconductor (CMOS) integrated circuits exposed to ionizing radiation. Expanding upon report summarized in "X-Ray-Diffraction Tests Of Irradiated Electronic Devices: I" (NPO-18803), presenting data further suggesting relationship between electrical performances of circuits and stresses and strains in metal conductors.

  15. Ultrafast electron diffraction from laser-aligned molecules in the gas phase

    NASA Astrophysics Data System (ADS)

    Yang, Jie

    Ultrafast electron diffraction has emerged since the end of last century, and has become an increasingly important tool for revealing great details of molecular dynamics. In comparison to spectroscopic techniques, ultrafast electron diffraction directly probes time-resolved structure of target molecules, and therefore can potentially provide "molecular movies" of the reactions being studied. These molecular movies are critical for understanding and ultimately controlling the energy conversion pathways and efficiencies of photochemical processes. In this dissertation, I have focused on ultrafast electron diffraction from gas-phase molecules, and have investigated several long-standing challenges that have been preventing researchers from being able to achieve 3-D molecular movies of photochemical reactions. The first challenge is to resolve the full 3-D structure for molecules in the gas phase. The random orientation of molecules in the gas phase smears out the diffraction signal, which results in only 1-D structural information being accessible. The second challenge lies in temporal resolution. In order to resolve coherent nuclear motions on their natural time scale, a temporal resolution of ˜200 femtosecond or better is required. However, due to experimental limitations the shortest temporal resolution that had been achieved was only a few picoseconds in early 2000, by Zewail group from Caltech. The first challenge is tackled by laser-alignment. In the first half of the dissertation, I approach this method both theoretically and experimentally, and demonstrate that by using a short laser pulse to transiently align target molecules in space, 3-D molecular structure can be reconstructed ab-initio from diffraction patterns. The second half of the dissertation presents two experiments, both of which are important steps toward imaging coherent nuclear motions in real time during photochemical reactions. The first experiment simultaneously resolves molecular alignment

  16. rf streak camera based ultrafast relativistic electron diffraction.

    PubMed

    Musumeci, P; Moody, J T; Scoby, C M; Gutierrez, M S; Tran, T

    2009-01-01

    We theoretically and experimentally investigate the possibility of using a rf streak camera to time resolve in a single shot structural changes at the sub-100 fs time scale via relativistic electron diffraction. We experimentally tested this novel concept at the UCLA Pegasus rf photoinjector. Time-resolved diffraction patterns from thin Al foil are recorded. Averaging over 50 shots is required in order to get statistics sufficient to uncover a variation in time of the diffraction patterns. In the absence of an external pump laser, this is explained as due to the energy chirp on the beam out of the electron gun. With further improvements to the electron source, rf streak camera based ultrafast electron diffraction has the potential to yield truly single shot measurements of ultrafast processes. PMID:19191429

  17. Time-Resolved Electron Diffraction from Selectively Aligned Molecules

    SciTech Connect

    Reckenthaeler, Peter; Krausz, Ferenc; Centurion, Martin; Fuss, Werner; Trushin, Sergei A.; Fill, Ernst E.

    2009-05-29

    We experimentally demonstrate ultrafast electron diffraction from transiently aligned molecules in the absence of external (aligning) fields. A sample of aligned molecules is generated through photodissociation with femtosecond laser pulses, and the diffraction pattern is captured by probing the sample with picosecond electron pulses shortly after dissociation - before molecular rotation causes the alignment to vanish. In our experiments the alignment decays with a time constant of 2.6{+-}1.2 ps.

  18. Pattern matching approach to pseudosymmetry problems in electron backscatter diffraction.

    PubMed

    Nolze, Gert; Winkelmann, Aimo; Boyle, Alan P

    2016-01-01

    We demonstrate an approach to overcome Kikuchi pattern misindexing problems caused by crystallographic pseudosymmetry in electron backscatter diffraction (EBSD) measurements. Based on the quantitative comparison of experimentally measured Kikuchi patterns with dynamical electron diffraction simulations, the algorithm identifies the best-fit orientation from a set of pseudosymmetric candidates. Using measurements on framboidal pyrite (FeS2) as an example, we also show the improvement of the orientation precision using this approach. PMID:26517547

  19. Mapping of reciprocal space of La0.30CoO2 in 3D: Analysis of superstructure diffractions and intergrowths with Co3O4

    NASA Astrophysics Data System (ADS)

    Brázda, Petr; Palatinus, Lukáš; Klementová, Mariana; Buršík, Josef; Knížek, Karel

    2015-07-01

    We have used electron diffraction tomography and powder X-ray diffraction to elucidate the structural properties of layered cobaltate γ-La0.30CoO2. The structure consists of hexagonal sheets of edge-sharing CoO6 octahedra interleaved by lanthanum monolayers. The La3+ cations occupy only one third of available P2 sites, forming a 2-dimensional a√3×a√3 superstructure in a-b plane. The results show that there exists no order in the mutual relative shift between the neighbouring La interlayers within the a-b plane. This is manifested in the observed monotonous decrease of the diffracted intensity of the superstructure diffractions along c* in both X-ray and electron diffraction data. The observed lack of stacking order differentiates the LaxCoO2 from its Ca and Sr analogues where at least a partial stacking order of the cationic interlayers is manifested in experimental data published in literature.

  20. 3D electron density imaging using single scattered x rays with application to breast CT and mammographic screening

    NASA Astrophysics Data System (ADS)

    van Uytven, Eric Peter

    Screening mammography is the current standard in detecting breast cancer. However, its fundamental disadvantage is that it projects a 3D object into a 2D image. Small lesions are difficult to detect when superimposed over layers of normal tissue. Commercial Computed Tomography (CT) produces a true 3D image yet has a limited role in mammography due to relatively low resolution and contrast. With the intent of enhancing mammography and breast CT, we have developed an algorithm which can produce 3D electron density images using a single projection. Imaging an object with x rays produces a characteristic scattered photon spectrum at the detector plane. A known incident beam spectrum, beam shape, and arbitrary 3D matrix of electron density values enable a theoretical scattered photon distribution to be calculated. An iterative minimization algorithm is used to make changes to the electron density voxel matrix to reduce regular differences between the theoretical and the experimentally measured distributions. The object is characterized by the converged electron density image. This technique has been validated in simulation using data produced by the EGSnrc Monte Carlo code system. At both mammographic and CT energies, a scanning polychromatic pencil beam was used to image breast tissue phantoms containing lesion-like inhomogeneities. The resulting Monte Carlo data is processed using a Nelder-Mead iterative algorithm (MATLAB) to produce the 3D matrix of electron density values. Resulting images have confirmed the ability of the algorithm to detect various 1x1x2.5 mm3 lesions with calcification content as low as 0.5% (p<0.005) at a dose comparable to mammography.

  1. Coherent low-energy electron diffraction on individual nanometer sized objects.

    PubMed

    Steinwand, Elvira; Longchamp, Jean-Nicolas; Fink, Hans-Werner

    2011-03-01

    Today's structural biology techniques require averaging over millions of molecules to obtain detailed structural information. Derivation of the molecular structure from a scattering experiment with just one single 3D-molecule imposes major challenges. Coherent and damage-free radiation is needed to ensure sufficient elastic scattering events before destroying the molecule and a means to solve the phase problem is wanted. We have devised such a scheme using coherent low-energy electrons shaped into a collimated beam by an electrostatic microlens. Initial experiments using a carbon nanotube sample demonstrate the feasibility of coherent low-energy electron diffraction on an individual nanometer-sized object. PMID:21353154

  2. Ultrafast Electron Diffraction: How It Works

    SciTech Connect

    2015-08-05

    A new technology at SLAC uses high-energy electrons to unravel motions in materials that are faster than a tenth of a trillionth of a second, opening up new research opportunities in ultrafast science.

  3. A Bioactive Carbon Nanotube-Based Ink for Printing 2D and 3D Flexible Electronics.

    PubMed

    Shin, Su Ryon; Farzad, Raziyeh; Tamayol, Ali; Manoharan, Vijayan; Mostafalu, Pooria; Zhang, Yu Shrike; Akbari, Mohsen; Jung, Sung Mi; Kim, Duckjin; Comotto, Mattia; Annabi, Nasim; Al-Hazmi, Faten Ebrahim; Dokmeci, Mehmet R; Khademhosseini, Ali

    2016-05-01

    The development of electrically conductive carbon nanotube-based inks is reported. Using these inks, 2D and 3D structures are printed on various flexible substrates such as paper, hydrogels, and elastomers. The printed patterns have mechanical and electrical properties that make them beneficial for various biological applications. PMID:26915715

  4. Cyclic twinning and internal defects of boron-rich nanowires revealed by three-dimensional electron diffraction mapping

    NASA Astrophysics Data System (ADS)

    Fu, Xin; Yuan, Jun

    2013-09-01

    Structural characterization of individual nanosized boron-rich nanowires has been carried out through analysing the three-dimensional (3D) electron diffraction intensity distribution. Not only can the cyclic twinning structure of these nanowires be easily determined, the new approach also reveals the heterogeneous strain relaxation within the intact nanowire, through the accurate determination of the orientation relationship between the constituent crystallites. The quantitative analysis of the fine structure in the 3D diffraction dataset indicates that this may be related to the distribution of defects such as stacking faults, microtwins and dislocations. It is envisaged that the non-destructive nature of this approach could open the way for the in situ study of the structural evolution of complex nanomaterials and polycrystalline materials in general.Structural characterization of individual nanosized boron-rich nanowires has been carried out through analysing the three-dimensional (3D) electron diffraction intensity distribution. Not only can the cyclic twinning structure of these nanowires be easily determined, the new approach also reveals the heterogeneous strain relaxation within the intact nanowire, through the accurate determination of the orientation relationship between the constituent crystallites. The quantitative analysis of the fine structure in the 3D diffraction dataset indicates that this may be related to the distribution of defects such as stacking faults, microtwins and dislocations. It is envisaged that the non-destructive nature of this approach could open the way for the in situ study of the structural evolution of complex nanomaterials and polycrystalline materials in general. Electronic supplementary information (ESI) available: Crystal structure of boron carbide, experimental geometry and diffraction pattern registration for the reconstruction of the reciprocal 3D volume, data process for 3D reciprocal volume visualization, rhombohedral

  5. Femtosecond time-resolved MeV electron diffraction

    SciTech Connect

    Zhu, Pengfei; Zhu, Y.; Hidaka, Y.; Wu, L.; Cao, J.; Berger, H.; Geck, J.; Kraus, R.; Pjerov, S.; Shen, Y.; Tobey, R. I.; Hill, J. P.; Wang, X. J.

    2015-06-02

    We report the experimental demonstration of femtosecond electron diffraction using high-brightness MeV electron beams. High-quality, single-shot electron diffraction patterns for both polycrystalline aluminum and single-crystal 1T-TaS2 are obtained utilizing a 5 fC (~3 × 104 electrons) pulse of electrons at 2.8 MeV. The high quality of the electron diffraction patterns confirms that electron beam has a normalized emittance of ~50 nm rad. The transverse and longitudinal coherence length is ~11 and ~2.5 nm, respectively. The timing jitter between the pump laser and probe electron beam was found to be ~100 fs (rms). The temporal resolution is demonstrated by observing the evolution of Bragg and superlattice peaks of 1T-TaS2 following an 800 nm optical pump and was found to be 130 fs. Lastly, our results demonstrate the advantages of MeV electrons, including large elastic differential scattering cross-section and access to high-order reflections, and the feasibility of ultimately realizing below 10 fs time-resolved electron diffraction.

  6. Femtosecond time-resolved MeV electron diffraction

    DOE PAGESBeta

    Zhu, Pengfei; Zhu, Y.; Hidaka, Y.; Wu, L.; Cao, J.; Berger, H.; Geck, J.; Kraus, R.; Pjerov, S.; Shen, Y.; et al

    2015-06-02

    We report the experimental demonstration of femtosecond electron diffraction using high-brightness MeV electron beams. High-quality, single-shot electron diffraction patterns for both polycrystalline aluminum and single-crystal 1T-TaS2 are obtained utilizing a 5 fC (~3 × 104 electrons) pulse of electrons at 2.8 MeV. The high quality of the electron diffraction patterns confirms that electron beam has a normalized emittance of ~50 nm rad. The transverse and longitudinal coherence length is ~11 and ~2.5 nm, respectively. The timing jitter between the pump laser and probe electron beam was found to be ~100 fs (rms). The temporal resolution is demonstrated by observing themore » evolution of Bragg and superlattice peaks of 1T-TaS2 following an 800 nm optical pump and was found to be 130 fs. Lastly, our results demonstrate the advantages of MeV electrons, including large elastic differential scattering cross-section and access to high-order reflections, and the feasibility of ultimately realizing below 10 fs time-resolved electron diffraction.« less

  7. A method for 3D electron density imaging using single scattered x-rays with application to mammographic screening

    NASA Astrophysics Data System (ADS)

    Van Uytven, Eric; Pistorius, Stephen; Gordon, Richard

    2008-10-01

    Screening mammography is the current standard in detecting breast cancer. However, its fundamental disadvantage is that it projects a 3D object into a 2D image. Small lesions are difficult to detect when superimposed over layers of normal, heterogeneous tissue. In this work, we examine the potential of single scattered photon electron density imaging in a mammographic environment. Simulating a low-energy (<20 keV) scanning pencil beam, we have developed an algorithm capable of producing 3D electron density images from a single projection. We have tested the algorithm by imaging parts of a simulated mammographic accreditation phantom containing lesions of various sizes. The results indicate that the group of imaged lesions differ significantly from background breast tissue (p < 0.005), confirming that electron density imaging may be a useful diagnostic test for the presence of breast cancer.

  8. 3D imaging and quantitative analysis of small solubilized membrane proteins and their complexes by transmission electron microscopy

    PubMed Central

    Vahedi-Faridi, Ardeschir; Jastrzebska, Beata; Palczewski, Krzysztof; Engel, Andreas

    2013-01-01

    Inherently unstable, detergent-solubilized membrane protein complexes can often not be crystallized. For complexes that have a mass of >300 kDa, cryo-electron microscopy (EM) allows their three-dimensional (3D) structure to be assessed to a resolution that makes secondary structure elements visible in the best case. However, many interesting complexes exist whose mass is below 300 kDa and thus need alternative approaches. Two methods are reviewed: (i) Mass measurement in a scanning transmission electron microscope, which has provided important information on the stoichiometry of membrane protein complexes. This technique is applicable to particulate, filamentous and sheet-like structures. (ii) 3D-EM of negatively stained samples, which determines the molecular envelope of small membrane protein complexes. Staining and dehydration artifacts may corrupt the quality of the 3D map. Staining conditions thus need to be optimized. 3D maps of plant aquaporin SoPIP2;1 tetramers solubilized in different detergents illustrate that the flattening artifact can be partially prevented and that the detergent itself contributes significantly. Another example discussed is the complex of G protein-coupled receptor rhodopsin with its cognate G protein transducin. PMID:23267047

  9. Biocompatible 3D Matrix with Antimicrobial Properties.

    PubMed

    Ion, Alberto; Andronescu, Ecaterina; Rădulescu, Dragoș; Rădulescu, Marius; Iordache, Florin; Vasile, Bogdan Ștefan; Surdu, Adrian Vasile; Albu, Madalina Georgiana; Maniu, Horia; Chifiriuc, Mariana Carmen; Grumezescu, Alexandru Mihai; Holban, Alina Maria

    2016-01-01

    The aim of this study was to develop, characterize and assess the biological activity of a new regenerative 3D matrix with antimicrobial properties, based on collagen (COLL), hydroxyapatite (HAp), β-cyclodextrin (β-CD) and usnic acid (UA). The prepared 3D matrix was characterized by Scanning Electron Microscopy (SEM), Fourier Transform Infrared Microscopy (FT-IRM), Transmission Electron Microscopy (TEM), and X-ray Diffraction (XRD). In vitro qualitative and quantitative analyses performed on cultured diploid cells demonstrated that the 3D matrix is biocompatible, allowing the normal development and growth of MG-63 osteoblast-like cells and exhibited an antimicrobial effect, especially on the Staphylococcus aureus strain, explained by the particular higher inhibitory activity of usnic acid (UA) against Gram positive bacterial strains. Our data strongly recommend the obtained 3D matrix to be used as a successful alternative for the fabrication of three dimensional (3D) anti-infective regeneration matrix for bone tissue engineering. PMID:26805790

  10. Web-based visualisation and analysis of 3D electron-microscopy data from EMDB and PDB☆

    PubMed Central

    Lagerstedt, Ingvar; Moore, William J.; Patwardhan, Ardan; Sanz-García, Eduardo; Best, Christoph; Swedlow, Jason R.; Kleywegt, Gerard J.

    2013-01-01

    The Protein Data Bank in Europe (PDBe) has developed web-based tools for the visualisation and analysis of 3D electron microscopy (3DEM) structures in the Electron Microscopy Data Bank (EMDB) and Protein Data Bank (PDB). The tools include: (1) a volume viewer for 3D visualisation of maps, tomograms and models, (2) a slice viewer for inspecting 2D slices of tomographic reconstructions, and (3) visual analysis pages to facilitate analysis and validation of maps, tomograms and models. These tools were designed to help non-experts and experts alike to get some insight into the content and assess the quality of 3DEM structures in EMDB and PDB without the need to install specialised software or to download large amounts of data from these archives. The technical challenges encountered in developing these tools, as well as the more general considerations when making archived data available to the user community through a web interface, are discussed. PMID:24113529

  11. Web-based visualisation and analysis of 3D electron-microscopy data from EMDB and PDB.

    PubMed

    Lagerstedt, Ingvar; Moore, William J; Patwardhan, Ardan; Sanz-García, Eduardo; Best, Christoph; Swedlow, Jason R; Kleywegt, Gerard J

    2013-11-01

    The Protein Data Bank in Europe (PDBe) has developed web-based tools for the visualisation and analysis of 3D electron microscopy (3DEM) structures in the Electron Microscopy Data Bank (EMDB) and Protein Data Bank (PDB). The tools include: (1) a volume viewer for 3D visualisation of maps, tomograms and models, (2) a slice viewer for inspecting 2D slices of tomographic reconstructions, and (3) visual analysis pages to facilitate analysis and validation of maps, tomograms and models. These tools were designed to help non-experts and experts alike to get some insight into the content and assess the quality of 3DEM structures in EMDB and PDB without the need to install specialised software or to download large amounts of data from these archives. The technical challenges encountered in developing these tools, as well as the more general considerations when making archived data available to the user community through a web interface, are discussed. PMID:24113529

  12. Moment coupling in the interaction of atoms and their ions with a 3d-electron shell

    SciTech Connect

    Kosarim, A. V.; Smirnov, B. M.; Capitelli, M.; Laricchiuta, A.

    2011-09-15

    The moment coupling of an interacting ion and an atom with a 3d-electron shell is analyzed for the ground state of identical atoms and ions where resonant charge exchange proceeds with transition of a 4s-electron. The interaction of the ion charge with the atom quadrupole moment is important for this system along with the exchange interactions and spin-orbit interactions inside an isolated atom and an ion. The quadrupole moment for 3d-atoms in the ground states is evaluated. The hierarchy of interactions in a molecular ion is analyzed depending on ion-atom distances and is compared with the standard Hund scheme. The resonant charge exchange proceeds effectively at separations corresponding to an intermediate case between cases 'a' and 'c' of the Hund coupling scheme.

  13. The technique of RDF of nanovolumes using electron diffraction

    NASA Astrophysics Data System (ADS)

    Cockayne, D. J. H.; Chen, Y.; Li, G.; Borisenko, K. B.

    2010-07-01

    Amorphous materials are not, as the Greek etymology suggests, "without form". Indeed, as with crystalline materials, their structure determines their properties. The overwhelming number of structural studies of amorphous materials use the diffracted intensity to give the radial distribution function, which can be used as data against which to test, or refine, structural models. Neutron and X-ray diffraction examples abound. However, neutrons and X-rays are of no use when small volumes are involved. This paper reports the current state of RDF analysis of nanovolumes using electron diffraction.

  14. Study of materials and machines for 3D printed large-scale, flexible electronic structures using fused deposition modeling

    NASA Astrophysics Data System (ADS)

    Hwang, Seyeon

    The 3 dimensional printing (3DP), called to additive manufacturing (AM) or rapid prototyping (RP), is emerged to revolutionize manufacturing and completely transform how products are designed and fabricated. A great deal of research activities have been carried out to apply this new technology to a variety of fields. In spite of many endeavors, much more research is still required to perfect the processes of the 3D printing techniques especially in the area of the large-scale additive manufacturing and flexible printed electronics. The principles of various 3D printing processes are briefly outlined in the Introduction Section. New types of thermoplastic polymer composites aiming to specified functional applications are also introduced in this section. Chapter 2 shows studies about the metal/polymer composite filaments for fused deposition modeling (FDM) process. Various metal particles, copper and iron particles, are added into thermoplastics polymer matrices as the reinforcement filler. The thermo-mechanical properties, such as thermal conductivity, hardness, tensile strength, and fracture mechanism, of composites are tested to figure out the effects of metal fillers on 3D printed composite structures for the large-scale printing process. In Chapter 3, carbon/polymer composite filaments are developed by a simple mechanical blending process with an aim of fabricating the flexible 3D printed electronics as a single structure. Various types of carbon particles consisting of multi-wall carbon nanotube (MWCNT), conductive carbon black (CCB), and graphite are used as the conductive fillers to provide the thermoplastic polyurethane (TPU) with improved electrical conductivity. The mechanical behavior and conduction mechanisms of the developed composite materials are observed in terms of the loading amount of carbon fillers in this section. Finally, the prototype flexible electronics are modeled and manufactured by the FDM process using Carbon/TPU composite filaments and

  15. Preservation of protein fluorescence in embedded human dendritic cells for targeted 3D light and electron microscopy.

    PubMed

    Höhn, K; Fuchs, J; Fröber, A; Kirmse, R; Glass, B; Anders-Össwein, M; Walther, P; Kräusslich, H-G; Dietrich, C

    2015-08-01

    In this study, we present a correlative microscopy workflow to combine detailed 3D fluorescence light microscopy data with ultrastructural information gained by 3D focused ion beam assisted scanning electron microscopy. The workflow is based on an optimized high pressure freezing/freeze substitution protocol that preserves good ultrastructural detail along with retaining the fluorescence signal in the resin embedded specimens. Consequently, cellular structures of interest can readily be identified and imaged by state of the art 3D confocal fluorescence microscopy and are precisely referenced with respect to an imprinted coordinate system on the surface of the resin block. This allows precise guidance of the focused ion beam assisted scanning electron microscopy and limits the volume to be imaged to the structure of interest. This, in turn, minimizes the total acquisition time necessary to conduct the time consuming ultrastructural scanning electron microscope imaging while eliminating the risk to miss parts of the target structure. We illustrate the value of this workflow for targeting virus compartments, which are formed in HIV-pulsed mature human dendritic cells. PMID:25786567

  16. Preservation of protein fluorescence in embedded human dendritic cells for targeted 3D light and electron microscopy

    PubMed Central

    HÖHN, K.; FUCHS, J.; FRÖBER, A.; KIRMSE, R.; GLASS, B.; ANDERS‐ÖSSWEIN, M.; WALTHER, P.; KRÄUSSLICH, H.‐G.

    2015-01-01

    Summary In this study, we present a correlative microscopy workflow to combine detailed 3D fluorescence light microscopy data with ultrastructural information gained by 3D focused ion beam assisted scanning electron microscopy. The workflow is based on an optimized high pressure freezing/freeze substitution protocol that preserves good ultrastructural detail along with retaining the fluorescence signal in the resin embedded specimens. Consequently, cellular structures of interest can readily be identified and imaged by state of the art 3D confocal fluorescence microscopy and are precisely referenced with respect to an imprinted coordinate system on the surface of the resin block. This allows precise guidance of the focused ion beam assisted scanning electron microscopy and limits the volume to be imaged to the structure of interest. This, in turn, minimizes the total acquisition time necessary to conduct the time consuming ultrastructural scanning electron microscope imaging while eliminating the risk to miss parts of the target structure. We illustrate the value of this workflow for targeting virus compartments, which are formed in HIV‐pulsed mature human dendritic cells. PMID:25786567

  17. Nanoscale 3D cellular imaging by axial scanning transmission electron tomography

    PubMed Central

    Hohmann-Marriott, Martin F.; Sousa, Alioscka A.; Azari, Afrouz A.; Glushakova, Svetlana; Zhang, Guofeng; Zimmerberg, Joshua; Leapman, Richard D.

    2009-01-01

    Electron tomography provides three-dimensional structural information about supramolecular assemblies and organelles in a cellular context but image degradation, caused by scattering of transmitted electrons, limits applicability in specimens thicker than 300 nm. We show that scanning transmission electron tomography of 1000 nm thick samples using axial detection provides resolution comparable to conventional electron tomography. The method is demonstrated by reconstructing a human erythrocyte infected with the malaria parasite Plasmodium falciparum. PMID:19718033

  18. Simulation of the 3-D Evolution of Electron Scale Magnetic Reconnection - Motivated by Laboratory Experiments Predictions for MMS

    NASA Astrophysics Data System (ADS)

    Buechner, J.; Jain, N.; Sharma, A.

    2013-12-01

    The four s/c of the Magnetospheric Multiscale (MMS) mission, to be launched in 2014, will use the Earth's magnetosphere as a laboratory to study the microphysics of three fundamental plasma processes. One of them is magnetic reconnection, an essentially multi-scale process. While laboratory experiments and past theoretical investigations have shown that important processes necessary to understand magnetic reconnection take place at electron scales the MMS mission for the first time will be able to resolve these scales by in space observations. For the measurement strategy of MMS it is important to make specific predictions of the behavior of current sheets with a thickness of the order of the electron skin depth which play an important role in the evolution of collisionless magnetic reconnection. Since these processes are highly nonlinear and non-local numerical simulation is needed to specify the current sheet evolution. Here we present new results about the nonlinear evolution of electron-scale current sheets starting from the linear stage and using 3-D electron-magnetohydrodynamic (EMHD) simulations. The growth rates of the simulated instabilities compared well with the growth rates obtained from linear theory. Mechanisms and conditions of the formation of flux ropes and of current filamentation will be discussed in comparison with the results of fully kinetic simulations. In 3D the X- and O-point configurations of the magnetic field formed in reconnection planes alternate along the out-of-reconnection-plane direction with the wavelength of the unstable mode. In the presence of multiple reconnection sites, the out-of-plane magnetic field can develop nested structure of quadrupoles in reconnection planes, similar to the 2-D case, but now with variations in the out-of-plane direction. The structures of the electron flow and magnetic field in 3-D simulations will be compared with those in 2-D simulations to discriminate the essentially 3D features. We also discuss

  19. Breaking resolution limits in ultrafast electron diffraction and microscopy

    PubMed Central

    Baum, Peter; Zewail, Ahmed H.

    2006-01-01

    Ultrafast electron microscopy and diffraction are powerful techniques for the study of the time-resolved structures of molecules, materials, and biological systems. Central to these approaches is the use of ultrafast coherent electron packets. The electron pulses typically have an energy of 30 keV for diffraction and 100–200 keV for microscopy, corresponding to speeds of 33–70% of the speed of light. Although the spatial resolution can reach the atomic scale, the temporal resolution is limited by the pulse width and by the difference in group velocities of electrons and the light used to initiate the dynamical change. In this contribution, we introduce the concept of tilted optical pulses into diffraction and imaging techniques and demonstrate the methodology experimentally. These advances allow us to reach limits of time resolution down to regimes of a few femtoseconds and, possibly, attoseconds. With tilted pulses, every part of the sample is excited at precisely the same time as when the electrons arrive at the specimen. Here, this approach is demonstrated for the most unfavorable case of ultrafast crystallography. We also present a method for measuring the duration of electron packets by autocorrelating electron pulses in free space and without streaking, and we discuss the potential of tilting the electron pulses themselves for applications in domains involving nuclear and electron motions. PMID:17056711

  20. Many-beam dynamical simulation of electron backscatter diffraction patterns.

    PubMed

    Winkelmann, Aimo; Trager-Cowan, Carol; Sweeney, Francis; Day, Austin P; Parbrook, Peter

    2007-01-01

    We present an approach for the simulation of complete electron backscatter diffraction (EBSD) patterns where the relative intensity distributions in the patterns are accurately reproduced. The Bloch wave theory is applied to describe the electron diffraction process. For the simulation of experimental patterns with a large field of view, a large number of reflecting planes has to be taken into account. This is made possible by the Bethe perturbation of weak reflections. Very good agreement is obtained for simulated and experimental patterns of gallium nitride GaN{0001} at 20kV electron energy. Experimental features like zone-axis fine structure and higher-order Laue zone rings are accurately reproduced. We discuss the influence of the diffraction of the incident beam in our experiment. PMID:17126489

  1. From Voxels to Knowledge: A Practical Guide to the Segmentation of Complex Electron Microscopy 3D-Data

    PubMed Central

    Tsai, Wen-Ting; Hassan, Ahmed; Sarkar, Purbasha; Correa, Joaquin; Metlagel, Zoltan; Jorgens, Danielle M.; Auer, Manfred

    2014-01-01

    Modern 3D electron microscopy approaches have recently allowed unprecedented insight into the 3D ultrastructural organization of cells and tissues, enabling the visualization of large macromolecular machines, such as adhesion complexes, as well as higher-order structures, such as the cytoskeleton and cellular organelles in their respective cell and tissue context. Given the inherent complexity of cellular volumes, it is essential to first extract the features of interest in order to allow visualization, quantification, and therefore comprehension of their 3D organization. Each data set is defined by distinct characteristics, e.g., signal-to-noise ratio, crispness (sharpness) of the data, heterogeneity of its features, crowdedness of features, presence or absence of characteristic shapes that allow for easy identification, and the percentage of the entire volume that a specific region of interest occupies. All these characteristics need to be considered when deciding on which approach to take for segmentation. The six different 3D ultrastructural data sets presented were obtained by three different imaging approaches: resin embedded stained electron tomography, focused ion beam- and serial block face- scanning electron microscopy (FIB-SEM, SBF-SEM) of mildly stained and heavily stained samples, respectively. For these data sets, four different segmentation approaches have been applied: (1) fully manual model building followed solely by visualization of the model, (2) manual tracing segmentation of the data followed by surface rendering, (3) semi-automated approaches followed by surface rendering, or (4) automated custom-designed segmentation algorithms followed by surface rendering and quantitative analysis. Depending on the combination of data set characteristics, it was found that typically one of these four categorical approaches outperforms the others, but depending on the exact sequence of criteria, more than one approach may be successful. Based on these data

  2. Status report on the 'Merging' of the Electron-Cloud Code POSINST with the 3-D Accelerator PIC CODE WARP

    SciTech Connect

    Vay, J.-L.; Furman, M.A.; Azevedo, A.W.; Cohen, R.H.; Friedman, A.; Grote, D.P.; Stoltz, P.H.

    2004-04-19

    We have integrated the electron-cloud code POSINST [1] with WARP [2]--a 3-D parallel Particle-In-Cell accelerator code developed for Heavy Ion Inertial Fusion--so that the two can interoperate. Both codes are run in the same process, communicate through a Python interpreter (already used in WARP), and share certain key arrays (so far, particle positions and velocities). Currently, POSINST provides primary and secondary sources of electrons, beam bunch kicks, a particle mover, and diagnostics. WARP provides the field solvers and diagnostics. Secondary emission routines are provided by the Tech-X package CMEE.

  3. Electron beam coherence measurements using diffracted beam interferometry/holography.

    PubMed

    Herring, Rodney A

    2009-06-01

    The intensity and coherence of elastically and inelastically scattered electrons have been studied by the interference of electron-diffracted beams using a method of diffracted beam interferometry/holography (DBI/H). In the interferograms produced, fringes were found to exist from low to high scattering angles. The intensity and coherence of the fringes are useful for understanding the contrast mismatch between experimental and simulated images found in atomic resolution images of crystals produced by transmission electron microscopy (TEM) and annular dark-field (ADF) scanning transmission electron microscopy (STEM). The fringes disappear when the interfering beams are separated from an exact overlay position, which produces a measurement of the beam's lateral coherence and holds promise for measuring the coherence of the respective quasi-particles associated with the energy loss electrons. PMID:19141592

  4. Uncertainty studies of topographical measurements on steel surface corrosion by 3D scanning electron microscopy.

    PubMed

    Kang, K W; Pereda, M D; Canafoglia, M E; Bilmes, P; Llorente, C; Bonetto, R

    2012-02-01

    Pitting corrosion is a damage mechanism quite serious and dangerous in both carbon steel boiler tubes for power plants which are vital to most industries and stainless steels for orthopedic human implants whose demand, due to the increase of life expectation and rate of traffic accidents, has sharply increased. Reliable methods to characterize this kind of damage are becoming increasingly necessary, when trying to evaluate the advance of damage and to establish the best procedures for component inspection in order to determine remaining lives and failure mitigation. A study about the uncertainties on the topographies of corrosion pits from 3D SEM images, obtained at low magnifications (where errors are greater) and different stage tilt angles were carried out using an in-house software previously developed. Additionally, measurements of pit depths on biomaterial surfaces, subjected to two different surface treatments on stainless steels, were carried out. The different depth distributions observed were in agreement with electrochemical measurements. PMID:22051087

  5. Parallel 3D Finite Element Numerical Modelling of DC Electron Guns

    SciTech Connect

    Prudencio, E.; Candel, A.; Ge, L.; Kabel, A.; Ko, K.; Lee, L.; Li, Z.; Ng, C.; Schussman, G.; /SLAC

    2008-02-04

    In this paper we present Gun3P, a parallel 3D finite element application that the Advanced Computations Department at the Stanford Linear Accelerator Center is developing for the analysis of beam formation in DC guns and beam transport in klystrons. Gun3P is targeted specially to complex geometries that cannot be described by 2D models and cannot be easily handled by finite difference discretizations. Its parallel capability allows simulations with more accuracy and less processing time than packages currently available. We present simulation results for the L-band Sheet Beam Klystron DC gun, in which case Gun3P is able to reduce simulation time from days to some hours.

  6. Web-based volume slicer for 3D electron-microscopy data from EMDB.

    PubMed

    Salavert-Torres, José; Iudin, Andrii; Lagerstedt, Ingvar; Sanz-García, Eduardo; Kleywegt, Gerard J; Patwardhan, Ardan

    2016-05-01

    We describe the functionality and design of the Volume slicer - a web-based slice viewer for EMDB entries. This tool uniquely provides the facility to view slices from 3D EM reconstructions along the three orthogonal axes and to rapidly switch between them and navigate through the volume. We have employed multiple rounds of user-experience testing with members of the EM community to ensure that the interface is easy and intuitive to use and the information provided is relevant. The impetus to develop the Volume slicer has been calls from the EM community to provide web-based interactive visualisation of 2D slice data. This would be useful for quick initial checks of the quality of a reconstruction. Again in response to calls from the community, we plan to further develop the Volume slicer into a fully-fledged Volume browser that provides integrated visualisation of EMDB and PDB entries from the molecular to the cellular scale. PMID:26876163

  7. Angular distribution of Auger electrons due to 3d-shell ionization of krypton

    NASA Technical Reports Server (NTRS)

    Omidvar, K.

    1977-01-01

    Cross sections for electron impact ionization of krypton due to ejection of a 3rd shell electron have been calculated using screened hydrogenic and Hartree-Slater wave functions for target atom. While the total ionization cross sections in the two approximations are within 10% of each other, the Auger electron angular distribution, related to cross sections for specific magnetic quantum numbers of the 3rd electrons, is widely different in the two approximations. The angular distribution due to Hartree-Slater approximation is in excellent agreement with measurement. The physical reason for the discrepancies in the two approximations is explained.

  8. Observations of the 3-D distribution of interplanetary electrons and ions from solar wind plasma to low energy cosmic rays

    NASA Technical Reports Server (NTRS)

    Lin, R. P.; Anderson, K. A.; Ashford, S.; Carlson, C.; Curtis, D.; Ergun, R.; Larson, D.; McFadden, J.; McCarthy, M.; Parks, G. K.

    1995-01-01

    The 3-D Plasma and Energetic Particle instrument on the GGS Wind spacecraft (launched November 1, 1994) is designed to make measurements of the full three-dimensional distribution of suprathermal electrons and ions from solar wind plasma to low energy cosmic rays, with high sensitivity, wide dynamic range, good energy and angular resolution, and high time resolution. Three pairs of double-ended telescopes, each with two or three closely sandwiched passivated ion implanted silicon detectors measure electrons and ions from approximately 20 keV to greater than or equal to 300 keV. Four top-hat symmetrical spherical section electrostatic analyzers with microchannel plate detectors, a large and a small geometric factor analyzer for electrons and a similar pair for ions, cover from approximately 3 eV to 30 keV. We present preliminary observations of the electron and ion distributions in the absence of obvious solar impulsive events and upstream particles. The quiet time electron energy spectrum shows a smooth approximately power law fall-off extending from the halo population at a few hundred eV to well above approximately 100 keV The quiet time ion energy spectrum also shows significant fluxes over this energy range. Detailed 3-D distributions and their temporal variations will be presented.

  9. Sub-fs electron pulses for ultrafast electron diffraction

    NASA Astrophysics Data System (ADS)

    Fill, Ernst; Veisz, Laszlo; Apolonski, Alexander; Krausz, Ferenc

    2006-11-01

    We present a new concept for an electron gun generating subrelativistic electron pulses with a duration down to the attosecond range. It is based on a cylindrical RF cavity (a so-called pill-box cavity) oscillating in its TM010 eigenmode with a photocathode triggered by a fs-laser pulse. Injecting electrons at an appropriate phase of the RF cycle compensates for their initial velocities and time delays and makes the electrons arrive at a target in a sub-fs temporal window. Such electron pulses will allow nuclear motion and electronic dynamics to be studied on an attosecond time scale.

  10. Viral Infection at High Magnification: 3D Electron Microscopy Methods to Analyze the Architecture of Infected Cells

    PubMed Central

    Romero-Brey, Inés; Bartenschlager, Ralf

    2015-01-01

    As obligate intracellular parasites, viruses need to hijack their cellular hosts and reprogram their machineries in order to replicate their genomes and produce new virions. For the direct visualization of the different steps of a viral life cycle (attachment, entry, replication, assembly and egress) electron microscopy (EM) methods are extremely helpful. While conventional EM has given important information about virus-host cell interactions, the development of three-dimensional EM (3D-EM) approaches provides unprecedented insights into how viruses remodel the intracellular architecture of the host cell. During the last years several 3D-EM methods have been developed. Here we will provide a description of the main approaches and examples of innovative applications. PMID:26633469

  11. 3D tracking of single nanoparticles and quantum dots in living cells by out-of-focus imaging with diffraction pattern recognition

    NASA Astrophysics Data System (ADS)

    Gardini, Lucia; Capitanio, Marco; Pavone, Francesco S.

    2015-11-01

    Live cells are three-dimensional environments where biological molecules move to find their targets and accomplish their functions. However, up to now, most single molecule investigations have been limited to bi-dimensional studies owing to the complexity of 3d-tracking techniques. Here, we present a novel method for three-dimensional localization of single nano-emitters based on automatic recognition of out-of-focus diffraction patterns. Our technique can be applied to track the movements of single molecules in living cells using a conventional epifluorescence microscope. We first demonstrate three-dimensional localization of fluorescent nanobeads over 4 microns depth with accuracy below 2 nm in vitro. Remarkably, we also establish three-dimensional tracking of Quantum Dots, overcoming their anisotropic emission, by adopting a ligation strategy that allows rotational freedom of the emitter combined with proper pattern recognition. We localize commercially available Quantum Dots in living cells with accuracy better than 7 nm over 2 microns depth. We validate our technique by tracking the three-dimensional movements of single protein-conjugated Quantum Dots in living cell. Moreover, we find that important localization errors can occur in off-focus imaging when improperly calibrated and we give indications to avoid them. Finally, we share a Matlab script that allows readily application of our technique by other laboratories.

  12. 3D tracking of single nanoparticles and quantum dots in living cells by out-of-focus imaging with diffraction pattern recognition

    PubMed Central

    Gardini, Lucia; Capitanio, Marco; Pavone, Francesco S.

    2015-01-01

    Live cells are three-dimensional environments where biological molecules move to find their targets and accomplish their functions. However, up to now, most single molecule investigations have been limited to bi-dimensional studies owing to the complexity of 3d-tracking techniques. Here, we present a novel method for three-dimensional localization of single nano-emitters based on automatic recognition of out-of-focus diffraction patterns. Our technique can be applied to track the movements of single molecules in living cells using a conventional epifluorescence microscope. We first demonstrate three-dimensional localization of fluorescent nanobeads over 4 microns depth with accuracy below 2 nm in vitro. Remarkably, we also establish three-dimensional tracking of Quantum Dots, overcoming their anisotropic emission, by adopting a ligation strategy that allows rotational freedom of the emitter combined with proper pattern recognition. We localize commercially available Quantum Dots in living cells with accuracy better than 7 nm over 2 microns depth. We validate our technique by tracking the three-dimensional movements of single protein-conjugated Quantum Dots in living cell. Moreover, we find that important localization errors can occur in off-focus imaging when improperly calibrated and we give indications to avoid them. Finally, we share a Matlab script that allows readily application of our technique by other laboratories. PMID:26526410

  13. 3D tracking of single nanoparticles and quantum dots in living cells by out-of-focus imaging with diffraction pattern recognition.

    PubMed

    Gardini, Lucia; Capitanio, Marco; Pavone, Francesco S

    2015-01-01

    Live cells are three-dimensional environments where biological molecules move to find their targets and accomplish their functions. However, up to now, most single molecule investigations have been limited to bi-dimensional studies owing to the complexity of 3d-tracking techniques. Here, we present a novel method for three-dimensional localization of single nano-emitters based on automatic recognition of out-of-focus diffraction patterns. Our technique can be applied to track the movements of single molecules in living cells using a conventional epifluorescence microscope. We first demonstrate three-dimensional localization of fluorescent nanobeads over 4 microns depth with accuracy below 2 nm in vitro. Remarkably, we also establish three-dimensional tracking of Quantum Dots, overcoming their anisotropic emission, by adopting a ligation strategy that allows rotational freedom of the emitter combined with proper pattern recognition. We localize commercially available Quantum Dots in living cells with accuracy better than 7 nm over 2 microns depth. We validate our technique by tracking the three-dimensional movements of single protein-conjugated Quantum Dots in living cell. Moreover, we find that important localization errors can occur in off-focus imaging when improperly calibrated and we give indications to avoid them. Finally, we share a Matlab script that allows readily application of our technique by other laboratories. PMID:26526410

  14. Orientation mapping of semicrystalline polymers using scanning electron nanobeam diffraction.

    PubMed

    Panova, Ouliana; Chen, X Chelsea; Bustillo, Karen C; Ophus, Colin; Bhatt, Mahesh P; Balsara, Nitash; Minor, Andrew M

    2016-09-01

    We demonstrate a scanning electron nanobeam diffraction technique that can be used for mapping the size and distribution of nanoscale crystalline regions in a polymer blend. In addition, it can map the relative orientation of crystallites and the degree of crystallinity of the material. The model polymer blend is a 50:50w/w mixture of semicrystalline poly(3-hexylthiophene-2,5-diyl) (P3HT) and amorphous polystyrene (PS). The technique uses a scanning electron beam to raster across the sample and acquires a diffraction image at each probe position. Through image alignment and filtering, the diffraction image dataset enables mapping of the crystalline regions within the scanned area and construction of an orientation map. PMID:27323282

  15. Application of Electron Backscatter Diffraction to Phase Identification

    SciTech Connect

    El-Dasher, B S; Deal, A

    2008-07-16

    The identification of crystalline phases in solids requires knowledge of two microstructural properties: crystallographic structure and chemical composition. Traditionally, this has been accomplished using X-ray diffraction techniques where the measured crystallographic information, in combination with separate chemical composition measurements for specimens of unknown pedigrees, is used to deduce the unknown phases. With the latest microstructural analysis tools for scanning electron microscopes, both the crystallography and composition can be determined in a single analysis utilizing electron backscatter diffraction and energy dispersive spectroscopy, respectively. In this chapter, we discuss the approach required to perform these experiments, elucidate the benefits and limitations of this technique, and detail via case studies how composition, crystallography, and diffraction contrast can be used as phase discriminators.

  16. Attosecond electron pulses for 4D diffraction and microscopy

    PubMed Central

    Baum, Peter; Zewail, Ahmed H.

    2007-01-01

    In this contribution, we consider the advancement of ultrafast electron diffraction and microscopy to cover the attosecond time domain. The concept is centered on the compression of femtosecond electron packets to trains of 15-attosecond pulses by the use of the ponderomotive force in synthesized gratings of optical fields. Such attosecond electron pulses are significantly shorter than those achievable with extreme UV light sources near 25 nm (≈50 eV) and have the potential for applications in the visualization of ultrafast electron dynamics, especially of atomic structures, clusters of atoms, and some materials. PMID:18000040

  17. Diffraction Properties of Periodic Lattices under Free Electron Laser Radiation

    SciTech Connect

    Rajkovic, I.; Busse, G.; Hallmann, J.; More, R.; Petri, M.; Quevedo, W.; Krasniqi, F.; Rudenko, A.; Tschentscher, T.; Stojanovic, N.; Duesterer, S.; Treusch, R.; Tolkiehn, M.; Techert, S.

    2010-03-26

    In this Letter, we report the pioneering use of free electron laser radiation for the investigation of periodic crystalline structures. The diffraction properties of silver behenate single nanocrystals (5.8 nm periodicity) with the dimensions of 20 nmx20 nmx20 {mu}m and as powder with grain sizes smaller than 200 nm were investigated with 8 nm free electron laser radiation in single-shot modus with 30 fs long free electron laser pulses. This work emphasizes the possibility of using soft x-ray free electron laser radiation for these crystallographic studies on a nanometer scale.

  18. Dynamical electron compressibility in the 3D topological insulator Bi2Se3

    NASA Astrophysics Data System (ADS)

    Inhofer, Andreas; Assaf, Badih; Wilmart, Quentin; Veyrat, Louis; Nowka, Christian; Dufouleur, Joseph; Giraud, Romain; Hampel, Silke; Buechner, Bernd; Fève, Gwendal; Berroir, Jean-Marc; Placais, Bernard

    Measurements of the quantum capacitance cq, related to the electron compressibility χ =cq /e2 is a sensitive tool to probe the density of states. In a topological insulator (TI) the situation is enriched by the coexistence and the interplay of topologically protected surface states and massive bulk carriers. We investigate top-gate metal-oxyde-TI capacitors using Bi2Se3 thin crystals at GHz frequencies. These measurements provide insight into the compressibillity of such a two electron-fluid system. Furthermore, the dynamical response yields information about electron scattering properties in TIs. More specifically, in our measurements we track simultaneously the conductivity σ and the compressibility as a function of a DC-gate voltage. Using the Einstein relation σ =cq D , we have access to the gate dependence of the electron diffusion constant D (Vg) , a signature of the peculiar scattering mechanisms in TIs.

  19. Web-based volume slicer for 3D electron-microscopy data from EMDB

    PubMed Central

    Salavert-Torres, José; Iudin, Andrii; Lagerstedt, Ingvar; Sanz-García, Eduardo; Kleywegt, Gerard J.; Patwardhan, Ardan

    2016-01-01

    We describe the functionality and design of the Volume slicer – a web-based slice viewer for EMDB entries. This tool uniquely provides the facility to view slices from 3D EM reconstructions along the three orthogonal axes and to rapidly switch between them and navigate through the volume. We have employed multiple rounds of user-experience testing with members of the EM community to ensure that the interface is easy and intuitive to use and the information provided is relevant. The impetus to develop the Volume slicer has been calls from the EM community to provide web-based interactive visualisation of 2D slice data. This would be useful for quick initial checks of the quality of a reconstruction. Again in response to calls from the community, we plan to further develop the Volume slicer into a fully-fledged Volume browser that provides integrated visualisation of EMDB and PDB entries from the molecular to the cellular scale. PMID:26876163

  20. Effects of 3d and 4d transition metal substitutional impurities on the electronic properties of CrO2

    NASA Astrophysics Data System (ADS)

    Williams, M. E.; Sims, H.; Mazumdar, D.; Butler, W. H.

    2012-12-01

    We present first-principles-based density functional theory calculations of the electronic and magnetic structure of CrO2 with 3d and 4d substitutional impurities. We find that the half-metallicity of CrO2 remains intact for the ground state of all of the calculated substitutions. We also observe two periodic trends as a function of the number of valence electrons: if the substituted atom has six or fewer valence electrons, the number of down spin electrons associated with the impurity ion is zero, resulting in ferromagnetic alignment of the impurity magnetic moment with the magnetization of the CrO2 host. For substituent atoms with eight to ten valence electrons (with the exception of Ni), the number of down-spin electrons contributed by the impurity ion remains fixed at three as the number contributed to the majority increases from one to three resulting in antiferromagnetic alignment between impurity moment and host magnetization. In impurities with seven valence electrons, the zero down-spin and threse down-spin configurations are very close in energy. At 11 valence electrons, the energy is minimized when the substituent ion contributes five down-spin electrons. The moments on the 4d impurities, particularly Nb and Mo, tend to be delocalized compared with those of the 3ds.

  1. Electron flood gun damage effects in 3D secondary ion mass spectrometry imaging of organics.

    PubMed

    Havelund, Rasmus; Seah, Martin P; Shard, Alexander G; Gilmore, Ian S

    2014-09-01

    Electron flood guns used for charge compensation in secondary ion mass spectrometry (SIMS) cause chemical degradation. In this study, the effect of electron flood gun damage on argon cluster depth profiling is evaluated for poly(vinylcarbazole), 1,4-bis((1-naphthylphenyl)amino)biphenyl and Irganox 3114. Thin films of these three materials are irradiated with a range of doses from a focused beam of 20 eV electrons used for charge neutralization. SIMS chemical images of the irradiated surfaces show an ellipsoidal damaged area, approximately 3 mm in length, created by the electron beam. In depth profiles obtained with 5 keV Ar(2000)(+) sputtering from the vicinity of the damaged area, the characteristic ion signal intensity rises from a low level to a steady state. For the damaged thin films, the ion dose required to sputter through the thin film to the substrate is higher than for undamaged areas. It is shown that a damaged layer is formed and this has a sputtering yield that is reduced by up to an order of magnitude and that the thickness of the damaged layer, which increases with the electron dose, can be as much as 20 nm for Irganox 3114. The study emphasizes the importance of minimizing the neutralizing electron dose prior to the analysis. PMID:24912434

  2. Highlighting material structure with transmission electron diffraction correlation coefficient maps.

    PubMed

    Kiss, Ákos K; Rauch, Edgar F; Lábár, János L

    2016-04-01

    Correlation coefficient maps are constructed by computing the differences between neighboring diffraction patterns collected in a transmission electron microscope in scanning mode. The maps are shown to highlight material structural features like grain boundaries, second phase particles or dislocations. The inclination of the inner crystal interfaces are directly deduced from the resulting contrast. PMID:26866276

  3. Development of splitting convergent beam electron diffraction (SCBED).

    PubMed

    Houdellier, Florent; Röder, Falk; Snoeck, Etienne

    2015-12-01

    Using a combination of condenser electrostatic biprism with dedicated electron optic conditions for sample illumination, we were able to split a convergent beam electron probe focused on the sample in two half focused probes without introducing any tilt between them. As a consequence, a combined convergent beam electron diffraction pattern is obtained in the back focal plane of the objective lens arising from two different sample areas, which could be analyzed in a single pattern. This splitting convergent beam electron diffraction (SCBED) pattern has been tested first on a well-characterized test sample of Si/SiGe multilayers epitaxially grown on a Si substrate. The SCBED pattern contains information from the strained area, which exhibits HOLZ lines broadening induced by surface relaxation, with fine HOLZ lines observed in the unstrained reference part of the sample. These patterns have been analyzed quantitatively using both parts of the SCBED transmitted disk. The fine HOLZ line positions are used to determine the precise acceleration voltage of the microscope while the perturbed HOLZ rocking curves in the stained area are compared to dynamical simulated ones. The combination of these two information leads to a precise evaluation of the sample strain state. Finally, several SCBED setups are proposed to tackle fundamental physics questions as well as applied materials science ones and demonstrate how SCBED has the potential to greatly expand the range of applications of electron diffraction and electron holography. PMID:26319180

  4. Electron diffraction of CBr4 in superfluid helium droplets: A step towards single molecule diffraction

    NASA Astrophysics Data System (ADS)

    He, Yunteng; Zhang, Jie; Kong, Wei

    2016-07-01

    We demonstrate the practicality of electron diffraction of single molecules inside superfluid helium droplets using CBr4 as a testing case. By reducing the background from pure undoped droplets via multiple doping, with small corrections for dimers and trimers, clearly resolved diffraction rings of CBr4 similar to those of gas phase molecules can be observed. The experimental data from CBr4 doped droplets are in agreement with both theoretical calculations and with experimental results of gaseous species. The abundance of monomers and clusters in the droplet beam also qualitatively agrees with the Poisson statistics. Possible extensions of this approach to macromolecular ions will also be discussed. This result marks the first step in building a molecular goniometer using superfluid helium droplet cooling and field induced orientation. The superior cooling effect of helium droplets is ideal for field induced orientation, but the diffraction background from helium is a concern. This work addresses this background issue and identifies a possible solution. Accumulation of diffraction images only becomes meaningful when all images are produced from molecules oriented in the same direction, and hence a molecular goniometer is a crucial technology for serial diffraction of single molecules.

  5. Electron diffraction of CBr4 in superfluid helium droplets: A step towards single molecule diffraction.

    PubMed

    He, Yunteng; Zhang, Jie; Kong, Wei

    2016-07-21

    We demonstrate the practicality of electron diffraction of single molecules inside superfluid helium droplets using CBr4 as a testing case. By reducing the background from pure undoped droplets via multiple doping, with small corrections for dimers and trimers, clearly resolved diffraction rings of CBr4 similar to those of gas phase molecules can be observed. The experimental data from CBr4 doped droplets are in agreement with both theoretical calculations and with experimental results of gaseous species. The abundance of monomers and clusters in the droplet beam also qualitatively agrees with the Poisson statistics. Possible extensions of this approach to macromolecular ions will also be discussed. This result marks the first step in building a molecular goniometer using superfluid helium droplet cooling and field induced orientation. The superior cooling effect of helium droplets is ideal for field induced orientation, but the diffraction background from helium is a concern. This work addresses this background issue and identifies a possible solution. Accumulation of diffraction images only becomes meaningful when all images are produced from molecules oriented in the same direction, and hence a molecular goniometer is a crucial technology for serial diffraction of single molecules. PMID:27448887

  6. Ultrafast Electron Diffractive Voltammetry:. General Formalism and Applications

    NASA Astrophysics Data System (ADS)

    Chang, Kiseok; Murdick, Ryan A.; Tao, Zhen-Sheng; Han, Tzong-Ru T.; Ruan, Chong-Yu

    We present a general formalism of ultrafast diffractive voltammetry approach as a contact-free tool to investigate the ultrafast surface charge dynamics in nanostructured interfaces. As case studies, the photoinduced surface charging processes in oxidized silicon surface and the hot electron dynamics in nanoparticle-decorated interface are examined based on the diffractive voltammetry framework. We identify that the charge redistribution processes appear on the surface, sub-surface, and vacuum levels when driven by intense femtosecond laser pulses. To elucidate the voltammetry contribution from different sources, we perform controlled experiments using shadow imaging techniques and N-particle simulations to aid the investigation of the photovoltage dynamics in the presence of photoemission. We show that voltammetry contribution associated with photoemission has a long decay tail and plays a more significant role in the nanosecond timescale, whereas the ultrafast voltammetry are dominated by local charge transfer, such as surface charging and molecular charge transport at nanostructured interfaces. We also discuss the general applicability of the diffractive voltammetry as an integral part of quantitative ultrafast electron diffraction methodology in researching different types of interfaces having distinctive surface diffraction and boundary conditions.

  7. Photons, Electrons and Positrons Transport in 3D by Monte Carlo Techniques

    Energy Science and Technology Software Center (ESTSC)

    2014-12-01

    Version 04 FOTELP-2014 is a new compact general purpose version of the previous FOTELP-2K6 code designed to simulate the transport of photons, electrons and positrons through three-dimensional material and sources geometry by Monte Carlo techniques, using subroutine package PENGEOM from the PENELOPE code under Linux-based and Windows OS. This new version includes routine ELMAG for electron and positron transport simulation in electric and magnetic fields, RESUME option and routine TIMER for obtaining starting random numbermore » and for measuring the time of simulation.« less

  8. [The reconstruction of welding arc 3D electron density distribution based on Stark broadening].

    PubMed

    Zhang, Wang; Hua, Xue-Ming; Pan, Cheng-Gang; Li, Fang; Wang, Min

    2012-10-01

    The three-dimensional electron density is very important for welding arc quality control. In the present paper, Side-on characteristic line profile was collected by a spectrometer, and the lateral experimental data were approximated by a polynomial fitting. By applying an Abel inversion technique, the authors obtained the radial intensity distribution at each wavelength and thus constructed a profile for the radial positions. The Fourier transform was used to separate the Lorentz linear from the spectrum reconstructed, thus got the accurate Stark width. And we calculated the electronic density three-dimensional distribution of the TIG welding are plasma. PMID:23285847

  9. Photons, Electrons and Positrons Transport in 3D by Monte Carlo Techniques

    SciTech Connect

    2014-12-01

    Version 04 FOTELP-2014 is a new compact general purpose version of the previous FOTELP-2K6 code designed to simulate the transport of photons, electrons and positrons through three-dimensional material and sources geometry by Monte Carlo techniques, using subroutine package PENGEOM from the PENELOPE code under Linux-based and Windows OS. This new version includes routine ELMAG for electron and positron transport simulation in electric and magnetic fields, RESUME option and routine TIMER for obtaining starting random number and for measuring the time of simulation.

  10. Neutron diffraction and the electronic properties of BaFe2Se3

    NASA Astrophysics Data System (ADS)

    Lovesey, S. W.; Khalyavin, D. D.; van der Laan, G.

    2016-01-01

    It is argued on the basis of previously published experimental data that, the magnetic space-group Cac (#9.41) is the correct description of magnetically ordered BaFe2Se3. The corresponding crystal class m1‧ allows axial and polar dipoles and forbids bulk ferromagnetism. Magneto-electric multipoles that are both time-odd and parity-odd are allowed, e.g., a magnetic charge (monopole) and an anapole (magnetic toroidal dipole). The experimental observation of magneto-electric multipoles must shed light on valence electrons involved in bonding, including charge transfer using 3d(Fe) and p-states of ligand ions. We provide the appropriate structure factors for the Bragg diffraction neutrons, together with estimates of atomic form factors. Structure factors for resonant x-ray Bragg diffraction are also considered, because the analysis of successful experiments will yield complementary information about electronic properties. Magneto-electric multipoles, over and above those that contribute to magnetic neutron diffraction, include the magnetic monopole. A time-odd, parity-even monopole created from the magnetic dipole and an electric toroidal dipole, which is a manifestation of a structural rotation, is allowed in BaFe2Se3 but it is not visible in diffraction, nor is the corresponding dipole.

  11. Study on the electronic structure and Fermi surface of 3d-transition-metal disilisides CoSi2

    NASA Astrophysics Data System (ADS)

    Hamid, A. S.

    2012-09-01

    We have investigated the electronic structure, the momentum density distribution ρ( p), and the Fermi surface FS of single crystals of the Pyrite-type 3d-transition-metal disilisides CoSi2. The band structure calculations, the density of states DOS, and the FS, in vicinity of Fermi level, have been carried out using the full-potential linearized augmented plane wave FP-LAPW method within generalized gradient approximation GGA for exchange and correlation potential. The measurements have been performed via the 2D angular correlation of annihilation radiation ACAR experiments. ρ( p) has been reconstructed by using the Fourier transformation technique. The FS has been reconstructed within the first Brillion zone BZ through the Locks, Crisp, and West LCW folding procedures. The analysis confirmed that Si 3 sp states hybrid with both Co 3 d- t 2 g and Co 3 d- e g states around Γ and X points, respectively. The dimensions of the FS of CoSi2 have been compared to the present calculations as well as to the earlier results.

  12. 3D Structure Determination of Native Mammalian Cells using Cryo-FIB and Cryo-electron Tomography

    PubMed Central

    Wang, Ke; Strunk, Korrinn; Zhao, Gongpu; Gray, Jennifer L.; Zhang, Peijun

    2012-01-01

    Cryo-electron tomography (cryo-ET) has enabled high resolution three-dimensional (3D) structural analysis of virus and host cell interactions and many cell signaling events; these studies, however, have largely been limited to very thin, peripheral regions of eukaryotic cells or to small prokaryotic cells. Recent efforts to make thin, vitreous sections using cryo-ultramicrotomy have been successful, however, this method is technically very challenging and with many artifacts. Here, we report a simple and robust method for creating in situ, frozen-hydrated cell lamellas using a focused ion beam at cryogenic temperature (cryo-FIB), allowing access to any interior cellular regions of interest. We demonstrate the utility of cryo-FIB with high resolution 3D cellular structures from both bacterial cells and large mammalian cells. The method will not only facilitate high-throughput 3D structural analysis of biological specimens, but is also broadly applicable to sample preparation of thin films and surface materials without the need for FIB “lift-out”. PMID:22796867

  13. Measuring surface topography with scanning electron microscopy. I. EZEImage: a program to obtain 3D surface data.

    PubMed

    Ponz, Ezequiel; Ladaga, Juan Luis; Bonetto, Rita Dominga

    2006-04-01

    Scanning electron microscopy (SEM) is widely used in the science of materials and different parameters were developed to characterize the surface roughness. In a previous work, we studied the surface topography with fractal dimension at low scale and two parameters at high scale by using the variogram, that is, variance vs. step log-log graph, of a SEM image. Those studies were carried out with the FERImage program, previously developed by us. To verify the previously accepted hypothesis by working with only an image, it is indispensable to have reliable three-dimensional (3D) surface data. In this work, a new program (EZEImage) to characterize 3D surface topography in SEM has been developed. It uses fast cross correlation and dynamic programming to obtain reliable dense height maps in a few seconds which can be displayed as an image where each gray level represents a height value. This image can be used for the FERImage program or any other software to obtain surface topography characteristics. EZEImage also generates anaglyph images as well as characterizes 3D surface topography by means of a parameter set to describe amplitude properties and three functional indices for characterizing bearing and fluid properties. PMID:17481354

  14. An LS-MARS method for modeling regional 3D ionospheric electron density based on GPS data and IRI

    NASA Astrophysics Data System (ADS)

    Kao, Szu-Pyng; Chen, Yao-Chung; Ning, Fang-Shii; Tu, Yuh-Min

    2015-05-01

    The methods of developing an accurate and effective ionospheric electron density (IED) model have greatly interested ionosphere researchers. Numerous scholars have proposed many effective and reliable models and methods of global positioning system (GPS)-based computerized ionospheric tomography (CIT) in the past decades. This study introduced a new function-based CIT method, namely the LS-MARS (Least Squares method-Multivariate Adaptive Regression Splines), combining MARS with IEDs calculated by International Reference Ionosphere (IRI) to automatically choose the best representing basis functions for the three-dimensional (3D) electron density inside that modeling area. This selected basis functions was substituted into the observation equation of the GPS total electron content (TEC) to calculate the design matrix. Finally, the weighted damped least squares (WDLS) were adopted to reestimate the IED model coefficients. In contrast to common function-based CIT methods, the LS-MARS can be used to attain optimal 3D model automatically, flexibly, adaptively based on the IRI without a priori knowledge of the IED distribution mathematical function. The findings indicated that the LS-MARS model had a smaller recovery TEC error than did the MARS_IRI2012 model, and the VTEC calculated using the LS-MARS model was closer to the VTEC obtained from International GNSS Service (IGS) final IONEX files than was the VTEC calculated using the MARS_IRI2012 and IRI2012. Therefore, this method exhibits strong modeling effectiveness and reliability, and can be an efficient alternative method for estimating regional 3D IED models.

  15. Observation of the Quantum-Classical Transition via Electron Diffraction

    NASA Astrophysics Data System (ADS)

    Beierle, Peter; Batelaan, Herman

    2016-05-01

    A collimated electron beam with an energy ranging from .5 keV- 5 keV is passed over a 1 cm long conducting surface. The electrons are diffracted from a 100 nm periodic SiN free-standing grating. The surface is place within the electron near-field diffraction distance. The loss of visibility of the far-field diffraction pattern is measured, which indicates the amount of decoherence that the electrons experienced as they passed over the surface. It has been determined through the visibility as a function of the height with respect to the surface that a) one can observe the transition of the electron's behavior between classical and quantum mechanics, b) that our experiment can be used to rule out a classical theoretical model of the surface decohering mechanism (consistent with Hasselbach's work), and c) this experimental setup is simpler than the use of an interferometer. Comparing a silicon to a gold surface, we are in the process of testing a wider array of theoretical models for the mechanism of decoherence. This work is supported by the National Science Foundation under award number 1306565.

  16. Ultrafast molecular imaging by laser-induced electron diffraction

    SciTech Connect

    Peters, M.; Nguyen-Dang, T. T.; Cornaggia, C.; Saugout, S.; Charron, E.; Keller, A.; Atabek, O.

    2011-05-15

    We address the feasibility of imaging geometric and orbital structures of a polyatomic molecule on an attosecond time scale using the laser-induced electron diffraction (LIED) technique. We present numerical results for the highest molecular orbitals of the CO{sub 2} molecule excited by a near-infrared few-cycle laser pulse. The molecular geometry (bond lengths) is determined within 3% of accuracy from a diffraction pattern which also reflects the nodal properties of the initial molecular orbital. Robustness of the structure determination is discussed with respect to vibrational and rotational motions with a complete interpretation of the laser-induced mechanisms.

  17. Communication: Electron diffraction of ferrocene in superfluid helium droplets.

    PubMed

    Zhang, Jie; He, Yunteng; Kong, Wei

    2016-06-14

    We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of the doping process. This method can be used for studies of nucleation processes in superfluid helium droplets. PMID:27305988

  18. Communication: Electron diffraction of ferrocene in superfluid helium droplets

    PubMed Central

    2016-01-01

    We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of the doping process. This method can be used for studies of nucleation processes in superfluid helium droplets. PMID:27305988

  19. Communication: Electron diffraction of ferrocene in superfluid helium droplets

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; He, Yunteng; Kong, Wei

    2016-06-01

    We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of the doping process. This method can be used for studies of nucleation processes in superfluid helium droplets.

  20. Isolation, Electron Microscopy and 3D Reconstruction of Invertebrate Muscle Myofilaments

    PubMed Central

    Craig, Roger

    2011-01-01

    Understanding the molecular mechanism of muscle contraction and its regulation has been greatly influenced and aided by studies of myofilament structure in invertebrate muscles. Invertebrates are easily obtained and cover a broad spectrum of species and functional specializations. The thick (myosin-containing) filaments from some invertebrates are especially stable and simple in structure and thus much more amenable to structural analysis than those of vertebrates. Comparative studies of invertebrate filaments by electron microscopy and image processing have provided important generalizations of muscle molecular structure and function. This article reviews methods for preparing thick and thin filaments from invertebrate muscle, for imaging filaments by electron microscopy, and for determining their three dimensional structure by image processing. It also highlights some of the key insights into filament function that have come from these studies. PMID:22155190

  1. Mapping electronic ordering in chromium in 3D with x-ray microdiffraction

    NASA Astrophysics Data System (ADS)

    Xu, Ruqing

    2015-03-01

    In the antiferromagnetic state of chromium, electrons form spin-density waves and charge-density waves with wave vector along one of the lattice cubic axes; the spontaneous ordering of the electrons breaks the lattice symmetry and creates domains within a single crystal. We report the first 3-dimentional mapping of charge-density wave domains in bulk polycrystalline chromium samples using differential-aperture x-ray microdiffraction at the Advanced Photon Source. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357

  2. EMRinger: Side-chain-directed model and map validation for 3D Electron Cryomicroscopy

    PubMed Central

    Barad, Benjamin A; Echols, Nathaniel; Wang, Ray Yu-Ruei; Cheng, Yifan; DiMaio, Frank; Adams, Paul D; Fraser, James S

    2015-01-01

    Advances in high resolution electron cryomicroscopy (cryo-EM) have been accompanied by the development of validation metrics to independently assess map quality and model geometry. EMRinger assesses the precise fitting of an atomic model into the map during refinement and shows how radiation damage alters scattering from negatively charged amino acids. EMRinger will be useful for monitoring progress in resolving and modeling high-resolution features in cryo-EM. PMID:26280328

  3. Electron scattering from large molecules: a 3d finite element R-matrix approach

    NASA Astrophysics Data System (ADS)

    Tonzani, Stefano; Greene, Chris H.

    2005-05-01

    To solve the Schr"odinger equation for scattering of a low energy electron from a molecule, we present a three-dimensional finite element R-matrix method [S. Tonzani and C. H. Greene, J. Chem. Phys. 122 01411, (2005)]. Using the static exchange and local density approximations, we can use directly the molecular potentials extracted from ab initio codes (GAUSSIAN 98 in the work described here). A local polarization potential based on density functional theory [F. A. Gianturco and A. Rodriguez-Ruiz, Phys. Rev. A 47, 1075 (1993)] approximately describes the long range attraction to the molecular target induced by the scattering electron without adjustable parameters. We have used this approach successfully in calculations of cross sections for small and medium sized molecules (like SF6, XeF6, C60 and Uracil). This method will be useful to treat the electron-induced dynamics of extended molecular systems, possibly of biological interest, where oth er more complex ab initio methods are difficult to apply.

  4. Development of a spin polarized low energy electron diffraction system.

    PubMed

    Pradeep, A V; Roy, Arnab; Kumar, P S Anil; Kirschner, J

    2016-02-01

    We have designed and constructed a spin polarized low energy electron diffraction system working in the reflected electron pulse counting mode. This system is capable of measuring asymmetries due to spin-orbit and exchange interactions. Photoemission from a strained GaAs/GaAsP super lattice is used as the source of spin polarized electrons. Spin-orbit asymmetry is evaluated for Ir(100) single crystal at various energies. Subsequently, exchange asymmetry has been evaluated on 40 monolayer Fe deposited on Ir(100). This instrument proves to be useful in understanding structure and magnetism at surfaces. PMID:26931865

  5. Coincidence studies of diffraction structures in binary encounter electron spectra

    SciTech Connect

    Liao, C.; Hagmann, S.; Richard, P.

    1994-12-31

    The authors have measured binary encounter electron (BEe) production in collisions of 0.3 MeV/u Cu{sup q+} (q=4,12) projectiles on H{sub 2} targets from 0 to 70 degrees with respect to the beam direction. Prominent features are the appearance of the BEe peak splitting and a very strong forward peaked angular distribution which are attributed to the diffractive scattering of the quasifree target electrons in the short range potential of the projectile. Using electron-projectile final charge state coincidence techniques, different collision reaction channels can be separated. Measurements of this type are being pursued.

  6. Development of a spin polarized low energy electron diffraction system

    NASA Astrophysics Data System (ADS)

    Pradeep, A. V.; Roy, Arnab; Kumar, P. S. Anil; Kirschner, J.

    2016-02-01

    We have designed and constructed a spin polarized low energy electron diffraction system working in the reflected electron pulse counting mode. This system is capable of measuring asymmetries due to spin-orbit and exchange interactions. Photoemission from a strained GaAs/GaAsP super lattice is used as the source of spin polarized electrons. Spin-orbit asymmetry is evaluated for Ir(100) single crystal at various energies. Subsequently, exchange asymmetry has been evaluated on 40 monolayer Fe deposited on Ir(100). This instrument proves to be useful in understanding structure and magnetism at surfaces.

  7. Electron paths, tunnelling, and diffraction in the spacetime algebra

    NASA Astrophysics Data System (ADS)

    Gull, Stephen; Lasenby, Anthony; Doran, Chris

    1993-10-01

    This paper employs the ideas of geometric algebra to investigate the physical content of Dirac's electron theory. The basis is Hestenes' discovery of the geometric significance of the Dirac spinor, which now represents a Lorentz transformation in spacetime. This transformation specifies a definite velocity, which might be interpreted as that of a real electron. Taken literally, this velocity yields predictions of tunnelling times through potential barriers, and defines streamlines in spacetime that would correspond to electron paths. We also present a general, first-order diffraction theory for electromagnetic and Dirac waves. We conclude with a critical appraisal of the Dirac theory.

  8. Calorimetric approach for 3D dosimetry of high intensity therapeutic electron beams

    NASA Astrophysics Data System (ADS)

    Lamanna, E.; Fiorillo, A. S.; Vena, R.; Berdondini, A.; Bettuzzi, M.; Brancaccio, R.; Casali, F.; Morigi, M. P.; Bilokon, H.; Barca, G.; Castrovillari, F.; Siaka, Y. F. T.

    2009-12-01

    The technique of High Dose Rate Intra-Operative Radiation Therapy (HDR-IORT) consists in the delivery of irradiation immediately after the removal of a cancerous mass, where the same incision is used to focalize the radiation to the tumour bed. Given its particular characteristics, IORT requires dose measurements that are different from those requested in external radiotherapy treatments. The main reason lies in the fact that in this case a single high dose must be delivered to a target volume whose extension and depth will be determined directly during the operation. Because of this peculiar characteristics, until now there is not a dosimetric system able to detect the electron beam giving at once a realtime response and an extensive spatial measure of the absorbed dose. Within the framework of a research project of the INFN (Italian National Institute of Nuclear Physics), we proposed a new system to overcome the problems, Dosiort. The final set-up is a solid phantom having a density approximately 1 g/cm3 with sensitive layers of scintillating fibres at fixed positions in a calorimetric configuration for the containment of electrons of energy 4-12 MeV. The prototype will be able to define the physical and geometrical characteristics of the electron beam (energy, isotropy, homogeneity, etc) and to measure the parameters needed to select the energy, the intensity and the Monitor Units (MU) for the exposition: percentage Depth Dose; beam profiles; isodose curves; values of dose per MU. In this work we present the results obtained by using two orthogonal layers of the calorimetric phantom Dosiort, in particular we report the measurement of the dynamic range of the read-out system and the first qualitative study of the results which can be extracted from the measurements taken in a test beam.

  9. Nonlinear, nonlaminar - 3D computation of electron motion through the output cavity of a klystron.

    NASA Technical Reports Server (NTRS)

    Albers, L. U.; Kosmahl, H. G.

    1971-01-01

    The accurate computation is discussed of electron motion throughout the output cavity of a klystron amplifier. The assumptions are defined whereon the computation is based, and the equations of motion are reviewed, along with the space charge fields derived from a Green's function potential of a solid cylinder. The integration process is then examined with special attention to its most difficult and important aspect - namely, the accurate treatment of the dynamic effect of space charge forces on the motion of individual cell rings of equal volume and charge. The correct treatment is demonstrated upon four specific examples, and a few comments are given on the results obtained.-

  10. EMRinger: side chain–directed model and map validation for 3D cryo-electron microscopy

    DOE PAGESBeta

    Barad, Benjamin A.; Echols, Nathaniel; Wang, Ray Yu-Ruei; Cheng, Yifan; DiMaio, Frank; Adams, Paul D.; Fraser, James S.

    2015-08-17

    Advances in high-resolution cryo-electron microscopy (cryo-EM) require the development of validation metrics to independently assess map quality and model geometry. We report that EMRinger is a tool that assesses the precise fitting of an atomic model into the map during refinement and shows how radiation damage alters scattering from negatively charged amino acids. EMRinger (https://github.com/fraser-lab/EMRinger) will be useful for monitoring progress in resolving and modeling high-resolution features in cryo-EM.

  11. Micromachined VLSI 3D electronics. Final report for period September 1, 2000 - March 31, 2001

    SciTech Connect

    Beetz, C.P.; Steinbeck, J.; Hsueh, K.L.

    2001-03-31

    The phase I program investigated the construction of electronic interconnections through the thickness of a silicon wafer. The novel aspects of the technology are that the length-to-width ratio of the channels is as high as 100:1, so that the minimum amount of real estate is used for contact area. Constructing a large array of these through-wafer interconnections will enable two circuit die to be coupled on opposite sides of a silicon circuit board providing high speed connection between the two.

  12. Study of titanate nanotubes by X-ray and electron diffraction and electron microscopy

    SciTech Connect

    Brunatova, Tereza; Popelkova, Daniela; Wan, Wei; Oleynikov, Peter; Danis, Stanislav; Zou, Xiaodong; Kuzel, Radomir

    2014-01-15

    The structure of titanate nanotubes (Ti-NTs) was studied by a combination of powder X-ray diffraction (PXRD), electron diffraction and high resolution transmission electron microscopy (HRTEM). Ti-NTs are prepared by hydrothermal treatment of TiO{sub 2} powder. The structure is identified by powder X-ray diffraction as the one based on the structure of H{sub 2}Ti{sub 2}O{sub 5}·H{sub 2}O phase. The same structure is obtained by projected potential from HRTEM through-focus image series. The structure is verified by simulated PXRD pattern with the aid of the Debye formula. The validity of the model is tested by computing Fourier transformation of a single nanotube which is proportional to measured electron diffraction intensities. A good agreement of this calculation with measured precession electron diffraction data is achieved. - Highlights: • Titanate nanotubes were prepared by hydrothermal method. • X-ray powder diffraction indicated their structure based on that of H{sub 2}Ti{sub 2}O{sub 5}·H{sub 2}O. • Structural model was created with the aid of high-resolution electron microscopy. • The model was verified with electron diffraction data. • X-ray powder diffraction pattern was calculated with the aid of the Debye formula.

  13. The linearly scaling 3D fragment method for large scale electronic structure calculations

    SciTech Connect

    Zhao, Zhengji; Meza, Juan; Lee, Byounghak; Shan, Hongzhang; Strohmaier, Erich; Bailey, David; Wang, Lin-Wang

    2009-07-28

    The Linearly Scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  14. The Linearly Scaling 3D Fragment Method for Large Scale Electronic Structure Calculations

    SciTech Connect

    Zhao, Zhengji; Meza, Juan; Lee, Byounghak; Shan, Hongzhang; Strohmaier, Erich; Bailey, David; Wang, Lin-Wang

    2009-06-26

    The Linearly Scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  15. The linearly scaling 3D fragment method for large scale electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Zhao, Zhengji; Meza, Juan; Lee, Byounghak; Shan, Hongzhang; Strohmaier, Erich; Bailey, David; Wang, Lin-Wang

    2009-07-01

    The linearly scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  16. A Detailed Study of FDIRC Prototype with Waveform Digitizing Electronics in Cosmic Ray Telescope Using 3D Tracks

    SciTech Connect

    Nishimura, K.; Dey, B.; Aston, D.; Leith, D.W.G.S.; Ratcliff, B.; Roberts, D.; Ruckman, L.; Shtol, D.; Varner, G.S.; Va'vra, J.; Vavra, Jerry; /SLAC

    2012-07-30

    We present a detailed study of a novel Cherenkov imaging detector called the Focusing DIRC (FDIRC) with waveform digitizing electronics. In this test study, the FDIRC prototype has been instrumented with seven Hamamatsu H-8500 MaPMTs. Waveforms from {approx}450 pixels are digitized with waveform sampling electronics based on the BLAB2 ASIC, operating at a sampling speed of {approx}2.5 GSa/s. The FDIRC prototype was tested in a large cosmic ray telescope (CRT) providing 3D muon tracks with {approx}1.5 mrad angular resolution and muon energy of E{sub muon} > 1.6 GeV. In this study we provide a detailed analysis of the tails in the Cherenkov angle distribution as a function of various variables, compare experimental results with simulation, and identify the major contributions to the tails. We demonstrate that to see the full impact of these tails on the Cherenkov angle resolution, it is crucial to use 3D tracks, and have a full understanding of the role of ambiguities. These issues could not be fully explored in previous FDIRC studies where the beam was perpendicular to the quartz radiator bars. This work is relevant for the final FDIRC prototype of the PID detector at SuperB, which will be tested this year in the CRT setup.

  17. A Detailed Study of FDIRC Prototype with Waveform Digitizing Electronics in Cosmic Ray Telescope Using 3D Tracks.

    SciTech Connect

    Nishimura, K

    2012-07-01

    We present a detailed study of a novel Cherenkov imaging detector called the Focusing DIRC (FDIRC) with waveform digitizing electronics. In this test study, the FDIRC prototype has been instrumented with seven Hamamatsu H-8500 MaPMTs. Waveforms from ~450 pixels are digitized with waveform sampling electronics based on the BLAB2 ASIC, operating at a sampling speed of ~2.5 GSa/s. The FDIRC prototype was tested in a large cosmic ray telescope (CRT) providing 3D muon tracks with ~1.5 mrad angular resolution and muon energy of Emuon greater than 1.6 GeV. In this study we provide a detailed analysis of the tails in the Cherenkov angle distribution as a function of various variables, compare experimental results with simulation, and identify the major contributions to the tails. We demonstrate that to see the full impact of these tails on the Cherenkov angle resolution, it is crucial to use 3D tracks, and have a full understanding of the role of ambiguities. These issues could not be fully explored in previous FDIRC studies where the beam was perpendicular to the quartz radiator bars. This work is relevant for the final FDIRC prototype of the PID detector at SuperB, which will be tested this year in the CRT setup.

  18. Runaway electron production in DIII-D killer pellet experiments, calculated with the CQL3D/KPRAD model

    SciTech Connect

    Harvey, R. W.; Chan, V. S.; Chiu, S. C.; Evans, T. E.; Rosenbluth, M. N.; Whyte, D. G.

    2000-11-01

    Runaway electrons are calculated to be produced during the rapid plasma cooling resulting from ''killer pellet'' injection experiments, in general agreement with observations in the DIII-D [J. L. Luxon , Plasma Physics and Controlled Nuclear Fusion Research 1986 (International Atomic Energy Agency, Vienna, 1987), Vol. I, p. 159] tokamak. The time-dependent dynamics of the kinetic runaway distributions are obtained with the CQL3D [R. W. Harvey and M. G. McCoy, ''The CQL3D Code,'' in Proceedings of the IAEA Technical Committee Meeting on Numerical Modeling, Montreal, 1992 (International Atomic Energy Agency, Vienna, 1992), p. 489] collisional Fokker--Planck code, including the effect of small and large angle collisions and stochastic magnetic field transport losses. The background density, temperature, and Z{sub eff} are evolved according to the KPRAD [D. G. Whyte and T. E. Evans , in Proceedings of the 24th European Conference on Controlled Fusion and Plasma Physics, Berchtesgaden, Germany (European Physical Society, Petit-Lancy, 1997), Vol. 21A, p. 1137] deposition and radiation model of pellet--plasma interactions. Three distinct runway mechanisms are apparent: (1) prompt ''hot-tail runaways'' due to the residual hot electron tail remaining from the pre-cooling phase, (2) ''knock-on'' runaways produced by large-angle Coulomb collisions on existing high energy electrons, and (3) Dreicer ''drizzle'' runaway electrons due to diffusion of electrons up to the critical velocity for electron runaway. For electron densities below {approx}1x10{sup 15}cm{sup -3}, the hot-tail runaways dominate the early time evolution, and provide the seed population for late time knock-on runaway avalanche. For small enough stochastic magnetic field transport losses, the knock-on production of electrons balances the losses at late times. For losses due to radial magnetic field perturbations in excess of {approx}0.1% of the background field, i.e., {delta}B{sub r}/B{>=}0.001, the losses

  19. ICON: 3D reconstruction with 'missing-information' restoration in biological electron tomography.

    PubMed

    Deng, Yuchen; Chen, Yu; Zhang, Yan; Wang, Shengliu; Zhang, Fa; Sun, Fei

    2016-07-01

    Electron tomography (ET) plays an important role in revealing biological structures, ranging from macromolecular to subcellular scale. Due to limited tilt angles, ET reconstruction always suffers from the 'missing wedge' artifacts, thus severely weakens the further biological interpretation. In this work, we developed an algorithm called Iterative Compressed-sensing Optimized Non-uniform fast Fourier transform reconstruction (ICON) based on the theory of compressed-sensing and the assumption of sparsity of biological specimens. ICON can significantly restore the missing information in comparison with other reconstruction algorithms. More importantly, we used the leave-one-out method to verify the validity of restored information for both simulated and experimental data. The significant improvement in sub-tomogram averaging by ICON indicates its great potential in the future application of high-resolution structural determination of macromolecules in situ. PMID:27079261

  20. 3D electron tomography of pretreated biomass informs atomic modeling of cellulose microfibrils.

    PubMed

    Ciesielski, Peter N; Matthews, James F; Tucker, Melvin P; Beckham, Gregg T; Crowley, Michael F; Himmel, Michael E; Donohoe, Bryon S

    2013-09-24

    Fundamental insights into the macromolecular architecture of plant cell walls will elucidate new structure-property relationships and facilitate optimization of catalytic processes that produce fuels and chemicals from biomass. Here we introduce computational methodology to extract nanoscale geometry of cellulose microfibrils within thermochemically treated biomass directly from electron tomographic data sets. We quantitatively compare the cell wall nanostructure in corn stover following two leading pretreatment strategies: dilute acid with iron sulfate co-catalyst and ammonia fiber expansion (AFEX). Computational analysis of the tomographic data is used to extract mathematical descriptions for longitudinal axes of cellulose microfibrils from which we calculate their nanoscale curvature. These nanostructural measurements are used to inform the construction of atomistic models that exhibit features of cellulose within real, process-relevant biomass. By computational evaluation of these atomic models, we propose relationships between the crystal structure of cellulose Iβ and the nanoscale geometry of cellulose microfibrils. PMID:23988022

  1. Sci—Thur AM: YIS - 07: Design and production of 3D printed bolus for electron radiation therapy

    SciTech Connect

    Su, Shiqin; Moran, Kathryn; Robar, James L.

    2014-08-15

    This is a proof-of-concept study demonstrating the capacity for modulated electron radiation therapy (MERT) using 3D printed bolus. Previous reports have involved bolus design using an electron pencil beam model and fabrication using a milling machine. In this study, an in-house algorithm is presented that optimizes the dose distribution with regard to dose coverage, conformity and homogeneity within planning target volume (PTV). The algorithm uses calculated result of a commercial electron Monte Carlo dose calculation as input. Distances along ray lines from distal side of 90% isodose to distal surface of PTV are used to estimate the bolus thickness. Inhomogeneities within the calculation volume are accounted for using coefficient of equivalent thickness method. Several regional modulation operators are applied to improve dose coverage and uniformity. The process is iterated (usually twice) until an acceptable MERT plan is realized, and the final bolus is printed using solid polylactic acid. The method is evaluated with regular geometric phantoms, anthropomorphic phantoms and a clinical rhabdomyosarcoma pediatric case. In all cases the dose conformity is improved compared to that with uniform bolus. The printed boluses conform well to the surface of complex anthropomorphic phantoms. For the rhabdomyosarcoma patient, the MERT plan yields a reduction of mean dose by 38.2% in left kidney relative to uniform bolus. MERT using 3D printed bolus appears to be a practical, low cost approach to generating optimized bolus for electron therapy. The method is effective in improving conformity of prescription isodose surface and in sparing immediately adjacent normal tissues.

  2. Space charge effects in ultrafast electron diffraction and imaging

    SciTech Connect

    Tao Zhensheng; Zhang He; Duxbury, P. M.; Berz, Martin; Ruan, Chong-Yu

    2012-02-15

    Understanding space charge effects is central for the development of high-brightness ultrafast electron diffraction and microscopy techniques for imaging material transformation with atomic scale detail at the fs to ps timescales. We present methods and results for direct ultrafast photoelectron beam characterization employing a shadow projection imaging technique to investigate the generation of ultrafast, non-uniform, intense photoelectron pulses in a dc photo-gun geometry. Combined with N-particle simulations and an analytical Gaussian model, we elucidate three essential space-charge-led features: the pulse lengthening following a power-law scaling, the broadening of the initial energy distribution, and the virtual cathode threshold. The impacts of these space charge effects on the performance of the next generation high-brightness ultrafast electron diffraction and imaging systems are evaluated.

  3. Nonlinear, nonlaminar-3D computation of electron motion through the output cavity of a klystron

    NASA Technical Reports Server (NTRS)

    Albers, L. U.; Kosmahl, H. G.

    1971-01-01

    The equations of motion used in the computation are discussed along with the space charge fields and the integration process. The following assumptions were used as a basis for the computation: (1) The beam is divided into N axisymmetric discs of equal charge and each disc into R rings of equal charge. (2) The velocity of each disc, its phase with respect to the gap voltage, and its radius at a specified position in the drift tunnel prior to the interaction gap is known from available large signal one dimensional programs. (3) The fringing rf fields are computed from exact analytical expressions derived from the wave equation assuming a known field shape between the tunnel tips at a radius a. (4) The beam is focused by an axisymmetric magnetic field. Both components of B, that is B sub z and B sub r, are taken into account. (5) Since this integration does not start at the cathode but rather further down the stream prior to entering the output cavity it is assumed that each electron moved along a laminar path from the cathode to the start of integration.

  4. Linearly Scaling 3D Fragment Method for Large-Scale Electronic Structure Calculations

    SciTech Connect

    Wang, Lin-Wang; Lee, Byounghak; Shan, Hongzhang; Zhao, Zhengji; Meza, Juan; Strohmaier, Erich; Bailey, David H.

    2008-07-01

    We present a new linearly scaling three-dimensional fragment (LS3DF) method for large scale ab initio electronic structure calculations. LS3DF is based on a divide-and-conquer approach, which incorporates a novel patching scheme that effectively cancels out the artificial boundary effects due to the subdivision of the system. As a consequence, the LS3DF program yields essentially the same results as direct density functional theory (DFT) calculations. The fragments of the LS3DF algorithm can be calculated separately with different groups of processors. This leads to almost perfect parallelization on tens of thousands of processors. After code optimization, we were able to achieve 35.1 Tflop/s, which is 39percent of the theoretical speed on 17,280 Cray XT4 processor cores. Our 13,824-atom ZnTeO alloy calculation runs 400 times faster than a direct DFTcalculation, even presuming that the direct DFT calculation can scale well up to 17,280 processor cores. These results demonstrate the applicability of the LS3DF method to material simulations, the advantage of using linearly scaling algorithms over conventional O(N3) methods, and the potential for petascale computation using the LS3DF method.

  5. Automated tracing of filaments in 3D electron tomography reconstructions using Sculptor and Situs.

    PubMed

    Rusu, Mirabela; Starosolski, Zbigniew; Wahle, Manuel; Rigort, Alexander; Wriggers, Willy

    2012-05-01

    The molecular graphics program Sculptor and the command-line suite Situs are software packages for the integration of biophysical data across spatial resolution scales. Herein, we provide an overview of recently developed tools relevant to cryo-electron tomography (cryo-ET), with an emphasis on functionality supported by Situs 2.7.1 and Sculptor 2.1.1. We describe a work flow for automatically segmenting filaments in cryo-ET maps including denoising, local normalization, feature detection, and tracing. Tomograms of cellular actin networks exhibit both cross-linked and bundled filament densities. Such filamentous regions in cryo-ET data sets can then be segmented using a stochastic template-based search, VolTrac. The approach combines a genetic algorithm and a bidirectional expansion with a tabu search strategy to localize and characterize filamentous regions. The automated filament segmentation by VolTrac compares well to a manual one performed by expert users, and it allows an efficient and reproducible analysis of large data sets. The software is free, open source, and can be used on Linux, Macintosh or Windows computers. PMID:22433493

  6. A modular hierarchical approach to 3D electron microscopy image segmentation.

    PubMed

    Liu, Ting; Jones, Cory; Seyedhosseini, Mojtaba; Tasdizen, Tolga

    2014-04-15

    The study of neural circuit reconstruction, i.e., connectomics, is a challenging problem in neuroscience. Automated and semi-automated electron microscopy (EM) image analysis can be tremendously helpful for connectomics research. In this paper, we propose a fully automatic approach for intra-section segmentation and inter-section reconstruction of neurons using EM images. A hierarchical merge tree structure is built to represent multiple region hypotheses and supervised classification techniques are used to evaluate their potentials, based on which we resolve the merge tree with consistency constraints to acquire final intra-section segmentation. Then, we use a supervised learning based linking procedure for the inter-section neuron reconstruction. Also, we develop a semi-automatic method that utilizes the intermediate outputs of our automatic algorithm and achieves intra-segmentation with minimal user intervention. The experimental results show that our automatic method can achieve close-to-human intra-segmentation accuracy and state-of-the-art inter-section reconstruction accuracy. We also show that our semi-automatic method can further improve the intra-segmentation accuracy. PMID:24491638

  7. Electronic properties of 3d transitional metal pnictides: A comparative study by optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Cheng, B.; Hu, B. F.; Chen, R. Y.; Xu, G.; Zheng, P.; Luo, J. L.; Wang, N. L.

    2012-10-01

    Single-crystalline KFe2As2 and CaT2As2 (T=Fe, Co, Ni, and Cu) are synthesized and investigated by resistivity, susceptibility, and optical spectroscopy. It is found that CaCu2As2 exhibits a similar transition to the lattice abrupt collapse transitions discovered in CaFe2(As1-xPx)2 and Ca1-xRxFe2As2 (R = rare-earth element). The resistivity of KFe2As2 and CaT2As2 (T=Fe, Co, Ni, and Cu) approximately follows the similar T2 dependence at low temperature, but the magnetic behaviors vary with different samples. Optical measurement reveals that the optical response of CaCu2As2 is not sensitive to the transition at 50 K, with no indication of development of a new energy gap below the transition temperature. Using Drude-Lorentz model, we find that two Drude terms, a coherent one and an incoherent one, can fit the low-energy optical conductivity of KFe2As2 and CaT2As2 (T=Fe, Co, and Ni) very well. However, in CaCu2As2, which is a sp-band metal, the low-energy optical conductivity can be well described by a coherent Drude term. Lack of the incoherent Drude term in CaCu2As2 may be attributed to a weaker electronic correlation than in KFe2As2 and CaT2As2 (T=Fe, Co, and Ni). Spectral weight analysis of these samples indicates that the unconventional spectral weight transfer, which is related to Hund's coupling energy JH, is only observed in iron pnictides, supporting the viewpoint that JH may be a key clue in the search for the mechanism of magnetism and superconductivity in pnictides.

  8. Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods

    NASA Astrophysics Data System (ADS)

    Balabanov, Nikolai B.; Peterson, Kirk A.

    2006-08-01

    Recently developed correlation consistent basis sets for the first row transition metal elements Sc-Zn have been utilized to determine complete basis set (CBS) scalar relativistic electron affinities, ionization potentials, and 4s23dn -2-4s1dn -1 electronic excitation energies with single reference coupled cluster methods [CCSD(T), CCSDT, and CCSDTQ] and multireference configuration interaction with three reference spaces: 3d4s, 3d4s4p, and 3d4s4p3d'. The theoretical values calculated with the highest order coupled cluster techniques at the CBS limit, including extrapolations to full configuration interaction, are well within 1kcal/mol of the corresponding experimental data. For the early transition metal elements (Sc-Mn) the internally contracted multireference averaged coupled pair functional method yielded excellent agreement with experiment; however, the atomic properties for the late transition metals (Mn-Zn) proved to be much more difficult to describe with this level of theory, even with the largest reference function of the present work.

  9. Dual nature of 3 d electrons in YbT 2 Zn 20 (T = Co; Fe) evidenced by electron spin resonance

    DOE PAGESBeta

    Ivanshin, V. A.; Litvinova, T. O.; Gimranova, K.; Sukhanov, A. A.; Jia, S.; Bud'ko, S. L.; Canfield, P. C.

    2015-03-18

    The electron spin resonance experiments were carried out in the single crystals YbFe2Zn20. The observed spin dynamics is compared with that in YbCo2Zn20 and Yb2Co12P7 as well as with the data of inelastic neutron scattering and electronic band structure calculations. Our results provide direct evidence that 3d electrons are itinerant in YbFe2Zn20 and localized in YbCo2Zn20. Possible connection between spin paramagnetism of dense heavy fermion systems, quantum criticality effects, and ESR spectra is discussed.

  10. Carbon Nanofibers Synthesized on Selective Substrates for Nonvolatile Memory and 3D Electronics

    NASA Technical Reports Server (NTRS)

    Kaul, Anupama B.; Khan, Abdur R.

    2011-01-01

    A plasma-enhanced chemical vapor deposition (PECVD) growth technique has been developed where the choice of starting substrate was found to influence the electrical characteristics of the resulting carbon nanofiber (CNF) tubes. It has been determined that, if the tubes are grown on refractory metallic nitride substrates, then the resulting tubes formed with dc PECVD are also electrically conducting. Individual CNFs were formed by first patterning Ni catalyst islands using ebeam evaporation and liftoff. The CNFs were then synthesized using dc PECVD with C2H2:NH3 = [1:4] at 5 Torr and 700 C, and approximately equal to 200-W plasma power. Tubes were grown directly on degenerately doped silicon <100> substrates with resistivity rho approximately equal to 1-5 meterohm-centimeter, as well as NbTiN. The approximately equal to 200-nanometer thick refractory NbTiN deposited using magnetron sputtering had rho approximately equal to 113 microohm-centimeter and was also chemically compatible with CNF synthesis. The sample was then mounted on a 45 beveled Al holder, and placed inside a SEM (scanning electron microscope). A nanomanipulator probe stage was placed inside the SEM equipped with an electrical feed-through, where tungsten probes were used to make two-terminal electrical measurements with an HP 4156C parameter analyzer. The positive terminal nanoprobe was mechanically manipulated to physically contact an individual CNF grown directly on NbTiN as shown by the SEM image in the inset of figure (a), while the negative terminal was grounded to the substrate. This revealed the tube was electrically conductive, although measureable currents could not be detected until approximately equal to 6 V, after which point current increased sharply until compliance (approximately equal to 50 nA) was reached at approximately equal to 9.5 V. A native oxide on the tungsten probe tips may contribute to a tunnel barrier, which could be the reason for the suppressed transport at low biases

  11. All oxide semiconductor-based bidirectional vertical p-n-p selectors for 3D stackable crossbar-array electronics

    PubMed Central

    Bae, Yoon Cheol; Lee, Ah Rahm; Baek, Gwang Ho; Chung, Je Bock; Kim, Tae Yoon; Park, Jea Gun; Hong, Jin Pyo

    2015-01-01

    Three-dimensional (3D) stackable memory devices including nano-scaled crossbar array are central for the realization of high-density non-volatile memory electronics. However, an essential sneak path issue affecting device performance in crossbar array remains a bottleneck and a grand challenge. Therefore, a suitable bidirectional selector as a two-way switch is required to facilitate a major breakthrough in the 3D crossbar array memory devices. Here, we show the excellent selectivity of all oxide p-/n-type semiconductor-based p-n-p open-based bipolar junction transistors as selectors in crossbar memory array. We report that bidirectional nonlinear characteristics of oxide p-n-p junctions can be highly enhanced by manipulating p-/n-type oxide semiconductor characteristics. We also propose an associated Zener tunneling mechanism that explains the unique features of our p-n-p selector. Our experimental findings are further extended to confirm the profound functionality of oxide p-n-p selectors integrated with several bipolar resistive switching memory elements working as storage nodes. PMID:26289565

  12. Structural, electronic, and magnetic properties of 3D metal trioxide and tetraoxide superhalogen cluster-doped monolayer BN

    NASA Astrophysics Data System (ADS)

    Meng, Jingjing; Li, Dan; Niu, Yuan; Zhao, Hongmin; Liang, Chunjun; He, Zhiqun

    2016-07-01

    The structural, electronic, and magnetic properties of monolayer BN doped with 3D metal trioxide and tetraoxide superhalogen clusters are investigated using first-principle calculations. TMO3(4)-doped monolayer BN exhibits a low negative formation energy, whereas TM atoms embedded in monolayer BN show a high positive formation energy. TMO3(4) clusters are embedded more easily in monolayer BN than TM atoms. Compared with TMO3-doped structures, TMO4-doped structures have a higher structural stability because of their higher binding energies. Given their low negative formation energies, TMO4-doped structures are more favored for specific applications than TMO3-doped structures and TM atom-doped structures. Large magnetic moments per supercell and significant ferromagnetic couplings between a TM atom and neighboring B and N atoms on the BN layer were observed in all TMO4-doped structures, except for TiO4-doped structures.

  13. Ab initio structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector

    PubMed Central

    van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.

    2016-01-01

    Until recently, structure determination by transmission electron microscopy of beam-sensitive three-dimensional nanocrystals required electron diffraction tomography data collection at liquid-nitrogen temperature, in order to reduce radiation damage. Here it is shown that the novel Timepix detector combines a high dynamic range with a very high signal-to-noise ratio and single-electron sensitivity, enabling ab initio phasing of beam-sensitive organic compounds. Low-dose electron diffraction data (∼0.013 e− Å−2 s−1) were collected at room temperature with the rotation method. It was ascertained that the data were of sufficient quality for structure solution using direct methods using software developed for X-ray crystallography (XDS, SHELX) and for electron crystallography (ADT3D/PETS, SIR2014). PMID:26919375

  14. Implementing Transmission Electron Backscatter Diffraction for Atom Probe Tomography.

    PubMed

    Rice, Katherine P; Chen, Yimeng; Prosa, Ty J; Larson, David J

    2016-06-01

    There are advantages to performing transmission electron backscattering diffraction (tEBSD) in conjunction with focused ion beam-based specimen preparation for atom probe tomography (APT). Although tEBSD allows users to identify the position and character of grain boundaries, which can then be combined with APT to provide full chemical and orientation characterization of grain boundaries, tEBSD can also provide imaging information that improves the APT specimen preparation process by insuring proper placement of the targeted grain boundary within an APT specimen. In this report we discuss sample tilt angles, ion beam milling energies, and other considerations to optimize Kikuchi diffraction pattern quality for the APT specimen geometry. Coordinated specimen preparation and analysis of a grain boundary in a Ni-based Inconel 600 alloy is used to illustrate the approach revealing a 50° misorientation and trace element segregation to the grain boundary. PMID:27329309

  15. Electron diffraction analysis of the M412 intermediate of bacteriorhodopsin.

    PubMed Central

    Glaeser, R. M.; Baldwin, J.; Ceska, T. A.; Henderson, R.

    1986-01-01

    High resolution electron diffraction data have been recorded for glucose-embedded purple membrane specimens in which bacteriorhodopsin (bR) has been trapped by cooling slowly to below--100 degrees C under continuous illumination. Thin films (OD approximately 0.7) of glucose-embedded membranes, prepared as a control, showed virtually 100% conversion to the M state, and stacks of such thin film specimens gave very similar x-ray diffraction patterns in the bR568 and the M412 state in most experiments. To be certain that any measured differences in diffraction intensity would be real, two independent sets of electron diffraction intensities were recorded for near-equatorial, i.e. (hkO), reflections. Little correlation was indeed observed between these two sets for delta F values at low resolution (15-5.0 A, 49 reflections), but the correlation coefficient is approximately 0.3 at high resolution (5.0-3.3 A, 218 reflections). Thus, while most of the measured difference is error, the mean delta F and the correlation coefficient can be used to estimate the smaller, true delta F due to structural changes occurring in the M state. The magnitude of this estimated true mean delta F is equal to what would be produced if approximately five to seven nonhydrogen atoms were moved to structurally uncorrelated (i.e., new) positions in the M state. Movements of a few amino acid side chains, and repositioning of atoms of the retinal group and the associated lysine side chain after trans-cis isomerization, are the most probable causes of the observed intensity changes in the M state. The difference Fourier map, calculated in projection at 3.5-A resolution, shows only very small peaks, the largest of which are confined, however, to the region of the protein. Images FIGURE 2 PMID:3790694

  16. Present State of Electron Backscatter Diffraction and Prospective Developments

    SciTech Connect

    Schwarzer, R A; Field, D P; Adams, B L; Kumar, M; Schwartz, A J

    2008-10-24

    Electron backscatter diffraction (EBSD), when employed as an additional characterization technique to a scanning electron microscope (SEM), enables individual grain orientations, local texture, point-to-point orientation correlations, and phase identification and distributions to be determined routinely on the surfaces of bulk polycrystals. The application has experienced rapid acceptance in metallurgical, materials, and geophysical laboratories within the past decade (Schwartz et al. 2000) due to the wide availability of SEMs, the ease of sample preparation from the bulk, the high speed of data acquisition, and the access to complementary information about the microstructure on a submicron scale. From the same specimen area, surface structure and morphology of the microstructure are characterized in great detail by the relief and orientation contrast in secondary and backscatter electron images, element distributions are accessed by energy dispersive spectroscopy (EDS), wavelength dispersive spectroscopy (WDS), or cathodoluminescence analysis, and the orientations of single grains and phases can now be determined, as a complement, by EBSD.

  17. Electron diffraction studies on CVD grown bi-layered graphene

    NASA Astrophysics Data System (ADS)

    Lingam, Kiran; Karakaya, Mehmet; Podila, Ramakrishna; Quin, Haijun; Rao, Apparao; Dept. of Physics and Astronomy, Clemson University, Clemson, SC USA 29634. Team; Advanced Materials Research Laboratories, Clemson University, Anderson, SC USA 29625 Collaboration

    2013-03-01

    Graphene has generated enormous interest in the scientific community due to its peculiar properties like electron mobility, thermal conductivity etc. Several recent reports on exfoliated graphene emphasized the role of layer stacking on the electronic and optical properties of graphene in case of bi-layered and few layered graphene and several synthesis techniques like chemical vapor deposition (CVD) on Copper foils are employed to prepare graphene for applications at a large scale. However, a correlated study pertinent to the stacking order in CVD grown graphene is still unclear. In this work, using a combination of Raman spectroscopy and selected area electron diffraction analysis we analyzed the preferred misorientation angles in a CVD grown bi-layered graphene and also the role of Cu crystal facets on the graphene stacking order will be presented.

  18. Towards high accuracy calibration of electron backscatter diffraction systems.

    PubMed

    Mingard, Ken; Day, Austin; Maurice, Claire; Quested, Peter

    2011-04-01

    For precise orientation and strain measurements, advanced Electron Backscatter Diffraction (EBSD) techniques require both accurate calibration and reproducible measurement of the system geometry. In many cases the pattern centre (PC) needs to be determined to sub-pixel accuracy. The mechanical insertion/retraction, through the Scanning Electron Microscope (SEM) chamber wall, of the electron sensitive part of modern EBSD detectors also causes alignment and positioning problems and requires frequent monitoring of the PC. Optical alignment and lens distortion issues within the scintillator, lens and charge-coupled device (CCD) camera combination of an EBSD detector need accurate measurement for each individual EBSD system. This paper highlights and quantifies these issues and demonstrates the determination of the pattern centre using a novel shadow-casting technique with a precision of ∼10μm or ∼1/3 CCD pixel. PMID:21396526

  19. System design and verification of the precession electron diffraction technique

    NASA Astrophysics Data System (ADS)

    Own, Christopher Su-Yan

    2005-07-01

    Bulk structural crystallography is generally a two-part process wherein a rough starting structure model is first derived, then later refined to give an accurate model of the structure. The critical step is the determination of the initial model. As materials problems decrease in length scale, the electron microscope has proven to be a versatile and effective tool for studying many problems. However, study of complex bulk structures by electron diffraction has been hindered by the problem of dynamical diffraction. This phenomenon makes bulk electron diffraction very sensitive to specimen thickness, and expensive equipment such as aberration-corrected scanning transmission microscopes or elaborate methodology such as high resolution imaging combined with diffraction and simulation are often required to generate good starting structures. The precession electron diffraction technique (PED), which has the ability to significantly reduce dynamical effects in diffraction patterns, has shown promise as being a "philosopher's stone" for bulk electron diffraction. However, a comprehensive understanding of its abilities and limitations is necessary before it can be put into widespread use as a standalone technique. This thesis aims to bridge the gaps in understanding and utilizing precession so that practical application might be realized. Two new PED systems have been built, and optimal operating parameters have been elucidated. The role of lens aberrations is described in detail, and an alignment procedure is given that shows how to circumvent aberration in order to obtain high-quality patterns. Multislice simulation is used for investigating the errors inherent in precession, and is also used as a reference for comparison to simple models and to experimental PED data. General trends over a large sampling of parameter space are determined. In particular, we show that the primary reflection intensity errors occur near the transmitted beam and decay with increasing angle and

  20. Electronic Structure, Donor and Acceptor Transitions, and Magnetism of 3d Impurities in In2O3 and ZnO

    SciTech Connect

    Raebiger, H.; Lany, S,; Zunger, A.

    2009-01-01

    3d transition impurities in wide-gap oxides may function as donor/acceptor defects to modify carrier concentrations, and as magnetic elements to induce collective magnetism. Previous first-principles calculations have been crippled by the LDA error, where the occupation of the 3d-induced levels is incorrect due to spurious charge spilling into the misrepresented host conduction band, and have only considered magnetism and carrier doping separately. We employ a band-structure-corrected theory, and present simultaneously the chemical trends for electronic properties, carrier doping, and magnetism along the series of 3d{sup 1}-3d{sup 8} transition-metal impurities in the representative wide-gap oxide hosts In{sub 2}O{sub 3} and ZnO. We find that most 3d impurities in In{sub 2}O{sub 3} are amphoteric, whereas in ZnO, the early 3d's (Sc, Ti, and V) are shallow donors, and only the late 3d's (Co and Ni) have acceptor transitions. Long-range ferromagnetic interactions emerge due to partial filling of 3d resonances inside the conduction band and, in general, require electron doping from additional sources.

  1. 3D Reconstruction of VZV Infected Cell Nuclei and PML Nuclear Cages by Serial Section Array Scanning Electron Microscopy and Electron Tomography

    PubMed Central

    Reichelt, Mike; Joubert, Lydia; Perrino, John; Koh, Ai Leen; Phanwar, Ibanri; Arvin, Ann M.

    2012-01-01

    Varicella-zoster virus (VZV) is a human alphaherpesvirus that causes varicella (chickenpox) and herpes zoster (shingles). Like all herpesviruses, the VZV DNA genome is replicated in the nucleus and packaged into nucleocapsids that must egress across the nuclear membrane for incorporation into virus particles in the cytoplasm. Our recent work showed that VZV nucleocapsids are sequestered in nuclear cages formed from promyelocytic leukemia protein (PML) in vitro and in human dorsal root ganglia and skin xenografts in vivo. We sought a method to determine the three-dimensional (3D) distribution of nucleocapsids in the nuclei of herpesvirus-infected cells as well as the 3D shape, volume and ultrastructure of these unique PML subnuclear domains. Here we report the development of a novel 3D imaging and reconstruction strategy that we term Serial Section Array-Scanning Electron Microscopy (SSA-SEM) and its application to the analysis of VZV-infected cells and these nuclear PML cages. We show that SSA-SEM permits large volume imaging and 3D reconstruction at a resolution sufficient to localize, count and distinguish different types of VZV nucleocapsids and to visualize complete PML cages. This method allowed a quantitative determination of how many nucleocapsids can be sequestered within individual PML cages (sequestration capacity), what proportion of nucleocapsids are entrapped in single nuclei (sequestration efficiency) and revealed the ultrastructural detail of the PML cages. More than 98% of all nucleocapsids in reconstructed nuclear volumes were contained in PML cages and single PML cages sequestered up to 2,780 nucleocapsids, which were shown by electron tomography to be embedded and cross-linked by an filamentous electron-dense meshwork within these unique subnuclear domains. This SSA-SEM analysis extends our recent characterization of PML cages and provides a proof of concept for this new strategy to investigate events during virion assembly at the single cell

  2. An electron diffraction study of alkali chloride vapors

    NASA Technical Reports Server (NTRS)

    Mawhorter, R. J.; Fink, M.; Hartley, J. G.

    1985-01-01

    A study of monomers and dimers of the four alkali chlorides NaCl, KCl, RbCl, and CsCl in the vapor phase using the counting method of high energy electron diffraction is reported. Nozzle temperatures from 850-960 K were required to achieve the necessary vapor pressures of approximately 0.01 torr. Using harmonic calculations for the monomer and dimer 1 values, a consistent set of structures for all four molecules was obained. The corrected monomer distances reproduce the microwave values very well. The experiment yields information on the amount of dimer present in the vapor, and these results are compared with thermodynamic values.

  3. Three-dimensional diffractive micro- and nano-optical elements fabricated by electron-beam lithography

    NASA Astrophysics Data System (ADS)

    Divliansky, Ivan B.; Johnson, Eric G.

    2007-02-01

    The broad development of the micro- and nano-technologies in the past few years increased the need of techniques capable of fabricating sub-micron structures with arbitrary surface profiles. Out of the several fabrication approaches (HEBS lithography, laser writing, etc.) the electron beam writing stands out as the one capable of the highest resolution, superior alignment accuracy and very small surface roughness. These characteristics make the technique greatly applicable in the fields of photonics and micro-opto-electro-mechanical-systems (MOEMS). Here we describe the specificity of fabricating 3D diffractive micro- and nano-optical elements using Leica EBPG 5000+ electron beam system. Parameters like speed of writing, dose accumulation, pattern writing specifics, etc. affect greatly the electronbeam resist properties and the desired 3D profile. We present data that can be used to better understand the different dependencies and therefore achieve better profile and surface roughness management. The results can be useful in future developments in the areas of integrated photonic circuits and MOEMS.

  4. Hybrid approach for structural modeling of biological systems from X-ray free electron laser diffraction patterns.

    PubMed

    Tokuhisa, Atsushi; Jonic, Slavica; Tama, Florence; Miyashita, Osamu

    2016-06-01

    We present a new hybrid approach for structural modeling using X-ray free electron laser (XFEL) diffraction patterns from non-crystalline biological samples. Reconstruction of a 3D structure requires a large number of diffraction patterns; however, in the current XFEL experiments with biological systems, the analysis often relies on a small number of 2D diffraction patterns. In this study, we explore the strategies to identify plausible 3D structural models by combining the 2D analysis of such diffraction patterns with computational modeling (normal mode analysis or molecular dynamics simulations). As the first step toward such hybrid modeling, we established a protocol to assess the agreement between the model structure and the target XFEL diffraction pattern and showed that XFEL data can be used to study the conformational transitions of biological molecules. We tested the proposed algorithms using data of three biomolecular complexes of different sizes (elongation factor 2, CCM virus, and ribosome) and examined the experimental conditions that are required to perform such studies, in particular the XFEL beam intensity requirements. The results indicate that the current beam intensity is close to a strength that enables us to study conformational transitions of macromolecules, such as ribosomes. The proposed algorithm can be combined with molecular mechanics approaches, such as molecular dynamics simulations and normal mode analysis, to generate a large number of candidate structures to perform hybrid structural modeling. PMID:26972893

  5. Generating multi-GeV electron bunches using single stage laser wakefield acceleration in a 3D nonlinear regime

    NASA Astrophysics Data System (ADS)

    Lu, W.; Tzoufras, M.; Joshi, C.; Tsung, F. S.; Mori, W. B.; Vieira, J.; Fonseca, R. A.; Silva, L. O.

    2007-06-01

    The extraordinary ability of space-charge waves in plasmas to accelerate charged particles at gradients that are orders of magnitude greater than in current accelerators has been well documented. We develop a phenomenological framework for laser wakefield acceleration (LWFA) in the 3D nonlinear regime, in which the plasma electrons are expelled by the radiation pressure of a short pulse laser, leading to nearly complete blowout. Our theory provides a recipe for designing a LWFA for given laser and plasma parameters and estimates the number and the energy of the accelerated electrons whether self-injected or externally injected. These formulas apply for self-guided as well as externally guided pulses (e.g. by plasma channels). We demonstrate our results by presenting a sample particle-in-cell (PIC) simulation of a 30fs, 200 TW laser interacting with a 0.75 cm long plasma with density 1.5×1018cm-3 to produce an ultrashort (10 fs) monoenergetic bunch of self-injected electrons at 1.5 GeV with 0.3 nC of charge. For future higher-energy accelerator applications, we propose a parameter space, which is distinct from that described by Gordienko and Pukhov [Phys. Plasmas 12, 043109 (2005)PHPAEN1070-664X10.1063/1.1884126] in that it involves lower plasma densities and wider spot sizes while keeping the intensity relatively constant. We find that this helps increase the output electron beam energy while keeping the efficiency high.

  6. Electronic and magnetic properties of monolayer SiC sheet doped with 3d-transition metals

    NASA Astrophysics Data System (ADS)

    Bezi Javan, Masoud

    2016-03-01

    We theoretically studied the electronic and magnetic properties of the monolayer SiC sheet doped by 3d transition-metal (TM) atoms. The structural properties, induced strain, electronic and magnetic properties were studied for cases that a carbon or silicon of the SiC sheet replaced with TM atoms. We found that the mount of induced strain to the lattice structure of the SiC sheet with substituting TM atoms is different for Si (TMSi) and C (TMC) sites as the TMSi structures have lower value of the strain. Also the TM atoms can be substituted in the lattice of the SiC sheet with different binding energy values for TMSi and TMC structures as the TMSi structures have higher value of the binding energies. Dependent to the structural properties, the TM doped SiC sheets show magnetic or nonmagnetic properties. We found that some structures such as MnSi, CuSi and CoC configurations have significant total magnetic moment about 3 μB.

  7. First-principle study of the electronic structure and magnetism of lithium-adsorbed 3d transition-metal phthalocyanines

    NASA Astrophysics Data System (ADS)

    Wang, M.; Hu, Y.; Zhang, Z.; Li, Y.; Zhou, T.; Ren, J.

    2016-02-01

    Based on density functional theory (DFT) calculations, the electronic structures and magnetic properties of 3d transition-metal phthalocyanine (TMPc, TM = Ti, V, Cr, Mn, Fe, Co, Ni and Cu), as well as Li-adsorbed phthalocyanines have been studied. The results show that the pristine TMPcs all have a good D4h symmetry. When there is one Li atom adsorbed on TMPcs directly over (LiTMPc-α) or slantly above (LiTMPc-β) the TM atoms, the geometries and electronic structures will be changed. For LiTMPc-α systems, the central TM atoms will deviate from the molecular plane and the molecules exhibit good C4v symmetry. LiTMPc-β systems are more stable than LiTMPc-α systems but it do not possess D4h and C4v symmetries. The total and local magnetic moments and the charge transfer are also presented. Finally, by using the orbit mixing and splitting theory under D4h and C4v symmetry, we get the ordering of the energy levels of the central TM atoms.

  8. 2D/3D electron temperature fluctuations near explosive MHD instabilities accompanied by minor and major disruptions

    NASA Astrophysics Data System (ADS)

    Choi, M. J.; Park, H. K.; Yun, G. S.; Lee, W.; Luhmann, N. C., Jr.; Lee, K. D.; Ko, W.-H.; Park, Y.-S.; Park, B. H.; In, Y.

    2016-06-01

    Minor and major disruptions by explosive MHD instabilities were observed with the novel quasi 3D electron cyclotron emission imaging (ECEI) system in the KSTAR plasma. The fine electron temperature (T e) fluctuation images revealed two types of minor disruptions: a small minor disruption is a q∼ 2 localized fast transport event due to a single m/n  =  2/1 magnetic island growth, while a large minor disruption is partial collapse of the q≤slant 2 region with two successive fast heat transport events by the correlated m/n  =  2/1 and m/n  =  1/1 instabilities. The m/n  =  2/1 magnetic island growth during the minor disruption is normally limited below the saturation width. However, as the additional interchange-like perturbation grows near the inner separatrix of the 2/1 island, the 2/1 island can expand beyond the limit through coupling with the cold bubble formed by the interchange-like perturbation.

  9. Correlation Energy of 3D Spin-Polarized Electron Gas: A Single Interpolation Between High- and Low-Density Limits

    NASA Astrophysics Data System (ADS)

    Sun, Jianwei; Perdew, John; Seidl, Michael

    2008-03-01

    We present an analytic model for the correlation energy per electron ec(rs,ζ) in the three-dimensional (3D) uniform electron gas, covering the full range 0<=rs<∞ and 0<=ζ<=1 of the density parameter rs and the relative spin polarization ζ. An interpolation is made between the exactly known high-density (rs->0) and low-density (rs->∞) limits, using a formula which (unlike previous ones) has the right analytic structures in both limits. We find that there is almost enough information available from these limits to determine the correlation energy over the full range. By minimal fitting to numerical quantum Monte Carlo data, we predict the value of b1(ζ) at ζ=0 close to the theoretical value [1], where b1(ζ) is the coefficient of the rsterm in the high-density expansion. The model finds correlation energies for the unpolarized (ζ=0) and fully polarized (ζ=1) cases in excellent agreement with Monte Carlo data. [1] T. Endo, M. Horiuchi, Y. Takada and H. Yasuhara, Phys. Rev. B 59, 7367 (1999)

  10. 3D nanostructured inkjet printed graphene via UV-pulsed laser irradiation enables paper-based electronics and electrochemical devices.

    PubMed

    Das, Suprem R; Nian, Qiong; Cargill, Allison A; Hondred, John A; Ding, Shaowei; Saei, Mojib; Cheng, Gary J; Claussen, Jonathan C

    2016-09-21

    Emerging research on printed and flexible graphene-based electronics is beginning to show tremendous promise for a wide variety of fields including wearable sensors and thin film transistors. However, post-print annealing/reduction processes that are necessary to increase the electrical conductivity of the printed graphene degrade sensitive substrates (e.g., paper) and are whole substrate processes that are unable to selectively anneal/reduce only the printed graphene-leaving sensitive device components exposed to damaging heat or chemicals. Herein a pulsed laser process is introduced that can selectively irradiate inkjet printed reduced graphene oxide (RGO) and subsequently improve the electrical conductivity (Rsheet∼0.7 kΩ□(-1)) of printed graphene above previously published reports. Furthermore, the laser process is capable of developing 3D petal-like graphene nanostructures from 2D planar printed graphene. These visible morphological changes display favorable electrochemical sensing characteristics-ferricyanide cyclic voltammetry with a redox peak separation (ΔEp) ≈ 0.7 V as well as hydrogen peroxide (H2O2) amperometry with a sensitivity of 3.32 μA mM(-1) and a response time of <5 s. Thus this work paves the way for not only paper-based electronics with graphene circuits, it enables the creation of low-cost and disposable graphene-based electrochemical electrodes for myriad applications including sensors, biosensors, fuel cells, and theranostic devices. PMID:27510913

  11. 3D Ion and Electron Distribution Function Measurements from the Fast Plasma Investigation on the Magnetospheric Multiscale Mission

    NASA Astrophysics Data System (ADS)

    Giles, B. L.; Pollock, C. J.; Avanov, L. A.; Barrie, A. C.; Burch, J. L.; Chandler, M. O.; Clark, G. B.; Coffey, V. N.; Dickson, C.; Dorelli, J.; Ergun, R. E.; Fuselier, S. A.; Gershman, D. J.; Gliese, U.; Holland, M. P.; Jacques, A. D.; Kreisler, S.; Lavraud, B.; MacDonald, E.; Mauk, B.; Moore, T. E.; Mukai, T.; Nakamura, R.; Paterson, W. R.; Rager, A. C.; Saito, Y.; Salo, C.; Sauvaud, J. A.; Torbert, R. B.; Vinas, A. F.; Yokota, S.

    2015-12-01

    The primary focus of the Magnetospheric Multiscale (MMS) mission, launched in March 2015, is magnetic reconnection and associated processes. Understanding hinges critically on the kinetic physics that allows reconnection to take place. The Fast Plasma Investigation (FPI) provides electron and ion distribution functions at 4.5s cadence and, for select periods of time, at cadences of 30ms for electrons and 150ms for ions. These select time periods are chosen after in situ acquisition based on inspection of the low resolution data. Thus the FPI provides, independent of spacecraft spin rate, the time resolution needed to resolve the small, fast-moving reconnection diffusion regions. The first mission phase focuses on the dayside magnetopause and this presentation is intended to demonstrate the capabilities of FPI to resolve the important spatial scales relevant to the reconnection process. Magnetopause and other boundary crossings will be examined and the phase-space trajectories identified at the tetrahedral satellite locations through analysis of the 3D distribution functions.

  12. Diffraction effects and special advantages in electronic heterodyne moire deflectometry

    NASA Technical Reports Server (NTRS)

    Stricker, J.

    1986-01-01

    Effects of diffraction on the performance of electronic heterodyne readout of moire fringes are investigated. The sensitivity, accuracy, and resolution of the system are calculated, and it is shown that these features are significantly improved compared with the conventional intensity moire readout technique. The sensitivity of the system can be tripled without changing the distance between gratings. The system was evaluated experimentally by measuring the refractive-index derivatives of a weak phase object consisting of a large KD(asterisk)P crystal. Effects of nonlinear fringe modulation were studied both theoretically and experimentally. It is shown that in this case the electronic phase is not linearly related to the fringe shift, and calibration of the system is necessary.

  13. Strain measurement at the nanoscale: Comparison between convergent beam electron diffraction, nano-beam electron diffraction, high resolution imaging and dark field electron holography.

    PubMed

    Béché, A; Rouvière, J L; Barnes, J P; Cooper, D

    2013-08-01

    Convergent beam electron diffraction (CBED), nano-beam electron diffraction (NBED or NBD), high resolution imaging (HRTEM and HRSTEM) and dark field electron holography (DFEH or HoloDark) are five TEM based techniques able to quantitatively measure strain at the nanometer scale. In order to demonstrate the advantages and disadvantages of each technique, two samples composed of epitaxial silicon-germanium layers embedded in a silicon matrix have been investigated. The five techniques are then compared in terms of strain precision and accuracy, spatial resolution, field of view, mapping abilities and ease of performance and analysis. PMID:23673283

  14. Orientation precision of electron backscatter diffraction measurements near grain boundaries.

    PubMed

    Wright, Stuart I; Nowell, Matthew M; de Kloe, René; Chan, Lisa

    2014-06-01

    Electron backscatter diffraction (EBSD) has become a common technique for measuring crystallographic orientations at spatial resolutions on the order of tens of nanometers and at angular resolutions <0.1°. In a recent search of EBSD papers using Google Scholar™, 60% were found to address some aspect of deformation. Generally, deformation manifests itself in EBSD measurements by small local misorientations. An increase in the local misorientation is often observed near grain boundaries in deformed microstructures. This may be indicative of dislocation pile-up at the boundaries but could also be due to a loss of orientation precision in the EBSD measurements. When the electron beam is positioned at or near a grain boundary, the diffraction volume contains the crystal lattices from the two grains separated by the boundary. Thus, the resulting pattern will contain contributions from both lattices. Such mixed patterns can pose some challenge to the EBSD pattern band detection and indexing algorithms. Through analysis of experimental local misorientation data and simulated pattern mixing, this work shows that some of the rise in local misorientation is an artifact due to the mixed patterns at the boundary but that the rise due to physical phenomena is also observed. PMID:24576405

  15. Neutron powder diffraction study of the layer organic-inorganic hybrid iron(II) methylphosphonate-hydrate, Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)

    SciTech Connect

    Leone, Philippe Bellitto, Carlo; Bauer, Elvira M.; Righini, Guido; Andre, Gilles; Bouree, Francoise

    2008-11-15

    The crystal and magnetic structures of the hybrid organic-inorganic layer compound Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)] have been studied by neutron powder diffraction as a function of temperature down to 1.5 K. The neutron diffraction pattern recorded at 200 K shows that the fully deuterated compound crystallizes in one of the two known forms of the undeuterated Fe[(CH{sub 3}PO{sub 3})(H{sub 2}O)]. The crystal structure is orthorhombic, space group Pmn2{sub 1}, with the following unit-cell parameters: a=5.7095(1) A, b=8.8053(3) A and c=4.7987(1) A; Z=2. The crystal structure remains unchanged on cooling from 200 to 1.5 K. Moreover, at low temperature, Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)] shows a commensurate magnetic structure (k=(0,0,0)). As revealed by bulk susceptibility measurements on Fe[(CH{sub 3}PO{sub 3})(H{sub 2}O)], the magnetic structure corresponds to a canted antiferromagnet with a critical temperature T{sub N}=25 K. Neutron powder diffraction reveals that below T{sub N}=23.5 K the iron magnetic moments in Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)] are antiferromagnetically coupled and oriented along the b-axis, perpendicular to the inorganic layers. No ferromagnetic component is observable in the neutron powder diffraction experiment, due to its too small value (<0.1{mu}{sub B}). - Graphical abstract: Crystal structure and magnetic structure of Fe[(CD{sub 3}PO{sub 3})(D{sub 2}O)].

  16. A study of 3D structure of nighttime electron density enhancement in the mid-latitude ionosphere by GPS tomography

    NASA Astrophysics Data System (ADS)

    Chen, C.; Saito, A.

    2011-12-01

    The mid-latitude summer nighttime anomaly (MSNA) is a feature that the nighttime electron density larger than that in the daytime mid-latitude ionosphere. This anomaly was first detected in the southern hemisphere five decades ago and observed in the northern hemisphere recently by ionosondes and satellites. Previous studies presented the electron density structure of MSNA by using COSMIC occultation data and found that MSNA is clearly seen around 300 km altitude during local summer. However, due to lack of observation, the day-to-day variation of MSNA was not investigated. A GPS tomography method by SPEL of Kyoto University using the total electron content (TEC) data measured by the ground-based GPS receiver network is employed in this study. The wide coverage and continuous observation of GPS receivers are suitable for investigating the spatial and day-to-day variations of ionospheric electron densities. The algorithm of the GPS tomography developed by SPEL of Kyoto University use a constraint condition that the gradient of election density tends to be smooth in the horizontal direction and steep in the vicinity of the F2 peak, instead of inputting the initial conditions. Therefore, the algorithm is independent of any ionospheric and plasmaspheric electron density distribution models. The dense ground-based GPS receiver network around European region is used to study the three dimensional (3D) structure of MSNA with GPS tomography. Results show that the MSNA usually appear around the geomagnetic mid-latitude region during local summer nighttime. The feature of MSNA is most obvious at the ionospheric F2-peak altitudes. The result also shows a day-to-day variation in the formation of MSNA, in terms of the occurrence time, intensity, and spatial extent. The tomographic results are compared with the ionosondes, satellites, and radar measurements. A theoretical model simulation, SAMI2, is also used to further discuss the mechanism of MSNA. The comparison with other

  17. Electronic structure of trioxide, oxoperoxide, oxosuperoxide, and ozonide clusters of the 3d elements: density functional theory study.

    PubMed

    Uzunova, Ellie L

    2011-03-01

    The trioxide clusters with stoichiometry MO3, and the structural isomers with side-on and end-on bonded oxygen atoms, are studied by DFT with the B1LYP functional. For the first half of the 3d elements row (Sc to Cr), pyramidal or distorted pyramidal structures dominate among the trioxide and oxoperoxide ground states, while the remaining elements form planar trioxides, oxoperoxides, oxosuperoxides, and ozonides. Low-lying trioxide clusters are formed by Ti, V, Cr, and Mn, among which the distorted pyramidal VO3 in the (2)A'' state, the pyramidal CrO3 in the (1)A1 state, and the planar MnO3 in the (2)A1' state are global minima. With the exception of the middle-row elements Mn, Fe, and Co, the magnetic moment of the ground-state clusters is formed with a major contribution from unpaired electrons located at the oxygen atoms. The stability of trioxides and oxoperoxides toward release of molecular oxygen is significantly higher for Sc, Ti, and V than for the remaining elements of the row. A trend of increasing the capability to dissociate one oxygen molecule is observed from Cr to Cu, with the exception of OFe(O2) being more reactive than OCo(O2). A gradual increase of reactivity from Ti to Cu is observed for the complete fragmentation reaction M + O + O2. PMID:21299242

  18. Association of intracellular and synaptic organization in cochlear inner hair cells revealed by 3D electron microscopy

    PubMed Central

    Bullen, Anwen; West, Timothy; Moores, Carolyn; Ashmore, Jonathan; Fleck, Roland A.; MacLellan-Gibson, Kirsty; Forge, Andrew

    2015-01-01

    ABSTRACT The ways in which cell architecture is modelled to meet cell function is a poorly understood facet of cell biology. To address this question, we have studied the cytoarchitecture of a cell with highly specialised organisation, the cochlear inner hair cell (IHC), using multiple hierarchies of three-dimensional (3D) electron microscopy analyses. We show that synaptic terminal distribution on the IHC surface correlates with cell shape, and the distribution of a highly organised network of membranes and mitochondria encompassing the infranuclear region of the cell. This network is juxtaposed to a population of small vesicles, which represents a potential new source of neurotransmitter vesicles for replenishment of the synapses. Structural linkages between organelles that underlie this organisation were identified by high-resolution imaging. Taken together, these results describe a cell-encompassing network of membranes and mitochondria present in IHCs that support efficient coding and transmission of auditory signals. Such techniques also have the potential for clarifying functionally specialised cytoarchitecture of other cell types. PMID:26045447

  19. First-Principles Study of Electronic Structure and Hydrogen Adsorption of 3d Transition Metal Exposed Paddle Wheel Frameworks

    SciTech Connect

    Bak, J. H.; Le, V. D.; Kang, J.; Wei, S. H.; Kim, Y. H.

    2012-04-05

    Open-site paddle wheels, comprised of two transition metals bridged with four carboxylate ions, have been widely used for constructing metal-organic frameworks with large surface area and high binding energy sites. Using first-principles density functional theory calculations, we have investigated atomic and electronic structures of various 3d transition metal paddle wheels before and after metal exposure and their hydrogen adsorption properties at open metal sites. Notably, the hydrogen adsorption is impeded by covalent metal-metal bonds in early transition metal paddle wheels from Sc to Cr and by the strong ferromagnetic coupling of diatomic Mn and Fe in the paddle wheel configurations. A significantly enhanced H{sub 2} adsorption is predicted in the nonmagnetic Co{sub 2} and Zn{sub 2} paddle wheel with the binding energy of {approx}0.2 eV per H{sub 2}. We also propose the use of two-dimensional Co{sub 2} and Zn{sub 2} paddle wheel frameworks that could have strongly adsorbed dihydrogen up to 1.35 wt % for noncryogenic hydrogen storage applications.

  20. A New Approach to Sap Flow Measurement Using 3D Printed Gauges and Open-source Electronics

    NASA Astrophysics Data System (ADS)

    Ham, J. M.; Miner, G. L.; Kluitenberg, G. J.

    2015-12-01

    A new type of sap flow gauge was developed to measure transpiration from herbaceous plants using a modified heat pulse technique. Gauges were fabricated using 3D-printing technology and low-cost electronics to keep the materials cost under $20 (U.S.) per sensor. Each gauge consisted of small-diameter needle probes fastened to a 3D-printed frame. One needle contained a resistance heater to provide a 6 to 8 second heat pulse while the other probes measured the resultant temperature increase at two distances from the heat source. The data acquisition system for the gauges was built from a low-cost Arduino microcontroller. The system read the gauges every 10 minutes and stored the results on a SD card. Different numerical techniques were evaluated for estimating sap velocity from the heat pulse data - including analytical solutions and parameter estimation approaches . Prototype gauges were tested in the greenhouse on containerized corn and sunflower. Sap velocities measured by the gauges were compared to independent gravimetric measurements of whole plant transpiration. Results showed the system could measure daily transpiration to within 3% of the gravimetric measurements. Excellent agreement was observed when two gauges were attached the same stem. Accuracy was not affected by rapidly changing transpiration rates observed under partly cloudy conditions. The gauge-based estimates of stem thermal properties suggested the system may also detect the onset of water stress. A field study showed the gauges could run for 1 to 2 weeks on a small battery pack. Sap flow measurements on multiple corn stems were scaled up by population to estimate field-scale transpiration. During full canopy cover, excellent agreement was observed between the scaled-up sap flow measurements and reference crop evapotranspiration calculated from weather data. Data also showed promise as a way to estimate real-time canopy resistance required for model verification and development. Given the low

  1. Symmetry quantification and mapping using convergent beam electron diffraction.

    PubMed

    Kim, Kyou-Hyun; Zuo, Jian-Min

    2013-01-01

    We propose a new algorithm to quantify symmetry recorded in convergent beam electron diffraction (CBED) patterns and use it for symmetry mapping in materials applications. We evaluate the effectiveness of the profile R-factor (R(p)) and the normalized cross-correlation coefficient (γ) for quantifying the amount of symmetry in a CBED pattern. The symmetry quantification procedures are automated and the algorithm is implemented as a DM (Digital Micrograph(©)) script. Experimental and simulated CBED patterns recorded from a Si single crystal are used to calibrate the proposed algorithm for the symmetry quantification. The proposed algorithm is then applied to a Si sample with defects to test the sensitivity of symmetry quantification to defects. Using the mirror symmetry as an example, we demonstrate that the normalized cross-correlation coefficient provides an effective and robust measurement of the symmetry recorded in experimental CBED patterns. PMID:23142747

  2. Digital direct electron imaging of energy-filtered electron backscatter diffraction patterns

    NASA Astrophysics Data System (ADS)

    Vespucci, S.; Winkelmann, A.; Naresh-Kumar, G.; Mingard, K. P.; Maneuski, D.; Edwards, P. R.; Day, A. P.; O'Shea, V.; Trager-Cowan, C.

    2015-11-01

    Electron backscatter diffraction is a scanning electron microscopy technique used to obtain crystallographic information on materials. It allows the nondestructive mapping of crystal structure, texture, and strain with a lateral and depth resolution on the order of tens of nanometers. Electron backscatter diffraction patterns (EBSPs) are presently acquired using a detector comprising a scintillator coupled to a digital camera, and the crystallographic information obtainable is limited by the conversion of electrons to photons and then back to electrons again. In this article we will report the direct acquisition of energy-filtered EBSPs using a digital complementary metal-oxide-semiconductor hybrid pixel detector, Timepix. We show results from a range of samples with different mass and density, namely diamond, silicon, and GaN. Direct electron detection allows the acquisition of EBSPs at lower (≤5 keV) electron beam energies. This results in a reduction in the depth and lateral extension of the volume of the specimen contributing to the pattern and will lead to a significant improvement in lateral and depth resolution. Direct electron detection together with energy filtering (electrons having energy below a specific value are excluded) also leads to an improvement in spatial resolution but in addition provides an unprecedented increase in the detail in the acquired EBSPs. An increase in contrast and higher-order diffraction features are observed. In addition, excess-deficiency effects appear to be suppressed on energy filtering. This allows the fundamental physics of pattern formation to be interrogated and will enable a step change in the use of electron backscatter diffraction (EBSD) for crystal phase identification and the mapping of strain. The enhancement in the contrast in high-pass energy-filtered EBSD patterns is found to be stronger for lighter, less dense materials. The improved contrast for such materials will enable the application of the EBSD

  3. Visualizing the 3D Architecture of Multiple Erythrocytes Infected with Plasmodium at Nanoscale by Focused Ion Beam-Scanning Electron Microscopy

    PubMed Central

    Soares Medeiros, Lia Carolina; De Souza, Wanderley; Jiao, Chengge; Barrabin, Hector; Miranda, Kildare

    2012-01-01

    Different methods for three-dimensional visualization of biological structures have been developed and extensively applied by different research groups. In the field of electron microscopy, a new technique that has emerged is the use of a focused ion beam and scanning electron microscopy for 3D reconstruction at nanoscale resolution. The higher extent of volume that can be reconstructed with this instrument represent one of the main benefits of this technique, which can provide statistically relevant 3D morphometrical data. As the life cycle of Plasmodium species is a process that involves several structurally complex developmental stages that are responsible for a series of modifications in the erythrocyte surface and cytoplasm, a high number of features within the parasites and the host cells has to be sampled for the correct interpretation of their 3D organization. Here, we used FIB-SEM to visualize the 3D architecture of multiple erythrocytes infected with Plasmodium chabaudi and analyzed their morphometrical parameters in a 3D space. We analyzed and quantified alterations on the host cells, such as the variety of shapes and sizes of their membrane profiles and parasite internal structures such as a polymorphic organization of hemoglobin-filled tubules. The results show the complex 3D organization of Plasmodium and infected erythrocyte, and demonstrate the contribution of FIB-SEM for the obtainment of statistical data for an accurate interpretation of complex biological structures. PMID:22432024

  4. Ultrafast electron diffraction with megahertz MeV electron pulses from a superconducting radio-frequency photoinjector

    SciTech Connect

    Feng, L. W.; Lin, L.; Huang, S. L.; Quan, S. W.; Hao, J. K.; Zhu, F.; Wang, F.; Liu, K. X.; Jiang, T.; Zhu, P. F.; Fu, F.; Wang, R.; Zhao, L.; Xiang, D.

    2015-11-30

    We report ultrafast relativistic electron diffraction operating at the megahertz repetition rate where the electron beam is produced in a superconducting radio-frequency (rf) photoinjector. We show that the beam quality is sufficiently high to provide clear diffraction patterns from gold and aluminium samples. With the number of electrons, several orders of magnitude higher than that from a normal conducting photocathode rf gun, such high repetition rate ultrafast MeV electron diffraction may open up many new opportunities in ultrafast science.

  5. Advanced characterization of twins using automated electron backscatter diffraction

    SciTech Connect

    Wright, S. I.; Bingert, J. F.; Mason, T. A.; Larson, R. J.

    2002-01-01

    This paper describes results obtained using an automated, crystallographically-based technique for twin identification. The technique is based on the automated collection of spatially specific orientation measurements by electron backscatter diffraction (EBSD) in the scanning electron microscope (SEM). The key features of the analysis are identification of potential twin boundaries by their misorientation character, identification of the distinct boundary planes among the symmetrically equivalent candidates, and validation of these boundaries through comparison with the boundary and twin plane traces in the sample cross section. Results on the application of this technique to deformation twins in zirconium are analyzed for the effect of twin type and amount and sense of uniaxial deformation. The accumulation of strain tends to increase the misorientation deviation at least to the degree of the trace deviation compared with recrystallization twins in nickel. In addition to the results on characterizing the twin character, results on extending the twin analysis to automated identification of parent and daughter material for structures exhibiting twin deformation are reported as well.

  6. Electron density distribution in vanadium and niobium from γ-ray diffraction

    NASA Astrophysics Data System (ADS)

    Jauch, W.; Reehuis, M.

    2011-03-01

    The electron density distribution in paramagnetic vanadium and niobium is derived via multipole refinement of high-quality single-crystal diffraction data, complete up to sinθ/λ = 1.9 Å-1, collected at room temperature with 316.5 keV γ radiation. Four γ lines in the energy range 200-600 keV have been used to extrapolate extinction-free low-order structure factors. Both metals display charge asphericity due to preferential occupancy of the t2g orbital. The asphericity in V is in quantitative agreement with ab initio calculations, but not with earlier experimental results, laying at rest a long-standing debate. In both metals, the d-electron density is strongly contracted relative to the free atoms. The high-precision thermal parameters are in good agreement with some of the older results. No support is found in the data for anharmonic contributions to the thermal parameters, contrary to claims in previous reports on V. Attention is paid to the 3d-4s occupation problem in V, indicating no change in electronic configuration between atom and metal. Relativistic form factor issues are also discussed. It is pointed out that for the analysis of crystallographic data nonrelativistic form factors are to be preferred over their relativistic counterparts.

  7. A method for 3D-reconstruction of a muscle thick filament using the tilt series images of a single filament electron tomogram.

    PubMed

    Márquez, G; Pinto, A; Alamo, L; Baumann, B; Ye, F; Winkler, H; Taylor, K; Padrón, R

    2014-05-01

    Myosin interacting-heads (MIH) motifs are visualized in 3D-reconstructions of thick filaments from striated muscle. These reconstructions are calculated by averaging methods using images from electron micrographs of grids prepared using numerous filament preparations. Here we propose an alternative method to calculate the 3D-reconstruction of a single thick filament using only a tilt series images recorded by electron tomography. Relaxed thick filaments, prepared from tarantula leg muscle homogenates, were negatively stained. Single-axis tilt series of single isolated thick filaments were obtained with the electron microscope at a low electron dose, and recorded on a CCD camera by electron tomography. An IHRSR 3D-recontruction was calculated from the tilt series images of a single thick filament. The reconstruction was enhanced by including in the search stage dual tilt image segments while only single tilt along the filament axis is usually used, as well as applying a band pass filter just before the back projection. The reconstruction from a single filament has a 40 Å resolution and clearly shows the presence of MIH motifs. In contrast, the electron tomogram 3D-reconstruction of the same thick filament - calculated without any image averaging and/or imposition of helical symmetry - only reveals MIH motifs infrequently. This is - to our knowledge - the first application of the IHRSR method to calculate a 3D reconstruction from tilt series images. This single filament IHRSR reconstruction method (SF-IHRSR) should provide a new tool to assess structural differences between well-ordered thick (or thin) filaments in a grid by recording separately their electron tomograms. PMID:24727133

  8. Task reports on developing techniques for scattering by 3D composite structures and to generate new solutions in diffraction theory using higher order boundary conditions

    NASA Technical Reports Server (NTRS)

    Volakis, John L.

    1991-01-01

    There are two tasks described in this report. First, an extension of a two dimensional formulation is presented for a three dimensional body of revolution. A Fourier series expansion of the vector electric and magnetic fields is employed to reduce the dimensionality of the system, and an exact boundary condition is employed to terminate the mesh. The mesh termination boundary is chosen such that it leads to convolutional boundary operators for low O(n) memory demand. Second, rigorous uniform geometrical theory of diffraction (UTD) diffraction coefficients are presented for a coated convex cylinder simulated with generalized impedance boundary conditions. Ray solutions are obtained which remain valid in the transition region and reduce uniformly those in the deep lit and shadow regions. A uniform asymptotic solution is also presented for observations in the close vicinity of the cylinder.

  9. A new type of 3-D peripheral ultrastructure in Glaucocystis (Glaucocystales, Glaucophyta) as revealed by ultra-high voltage electron microscopy.

    PubMed

    Takahashi, Toshiyuki; Nishida, Tomoki; Saito, Chieko; Yasuda, Hidehiro; Nozaki, Hisayoshi

    2016-06-01

    The coccoid glaucophyte genus Glaucocystis is characterized by having a thick cell wall, which has to date prohibited examination of the native ultrastructural features of the protoplast periphery. Recently, however, the three-dimensional (3-D) ultrastructure of the protoplast periphery was revealed in two divergent Glaucocystis species, with the world's most powerful ultra-high voltage electron microscope (UHVEM). The two species exhibit morphological diversity in terms of their 3-D ultrastructural features. However, these two types do not seem to encompass actual ultrastructural diversity in the genetically diverse genus Glaucocystis. Here, we report a new type of peripheral 3-D ultrastructure resolved in "G. incrassata" SAG 229-2 cells by 3-D modeling based on UHVEM tomography using high-pressure freezing and freeze-substitution fixation. The plasma membrane and underlying flattened vesicles in "G. incrassata" SAG 229-2 exhibited grooves at intervals of 200-600 nm, and the flattened vesicles often overlapped one another at the protoplast periphery. This 3-D ultrastructure differs from those of the two types previously reported in other species of Glaucocystis. The possibility of classification of Glaucocystis species based on the 3-D ultrastructure of the protoplast periphery is discussed. PMID:27273537

  10. Comparison of radiotherapy dosimetry for 3D-CRT, IMRT, and SBRT based on electron density calibration

    NASA Astrophysics Data System (ADS)

    Kartutik, K.; Wibowo, W. E.; Pawiro, S. A.

    2016-03-01

    Accurate calculation of dose distribution affected by inhomogeneity tissue is required in radiotherapy planning. This study was performed to determine the ratio between radiotherapy planning using 3D-CRT, IMRT, and SBRT based on a calibrated curve of CT-number in the lung for different target's shape in 3D-CRT, IMRT, and spinal cord for SBRT. Calibration curves of CT-number were generated under measurement basis and introduced into TPS, then planning was performed for 3D-CRT, IMRT, and SBRT with 7, and 15 radiation fields. Afterwards, planning evaluation was performed by comparing the DVH curve, HI, and CI. 3D-CRT and IMRT produced the lowest HI at calibration curve of CIRS 002LFC with the value 0.24 and 10. Whereas SBRT produced the lowest HI on a linear calibration curve with a value of 0.361. The highest CI in IMRT and SBRT technique achieved using a linear calibration curve was 0.97 and 1.77 respectively. For 3D-CRT, the highest CI was obtained by using calibration curve of CIRS 062M with the value of 0.45. From the results of CI and HI, it is concluded that the calibration curve of CT-number does not significantly differ with Schneider's calibrated curve, and inverse planning gives a better result than forward planning.

  11. Method for dose-reduced 3D catheter tracking on a scanning-beam digital x-ray system using dynamic electronic collimation

    NASA Astrophysics Data System (ADS)

    Dunkerley, David A. P.; Funk, Tobias; Speidel, Michael A.

    2016-03-01

    Scanning-beam digital x-ray (SBDX) is an inverse geometry x-ray fluoroscopy system capable of tomosynthesis-based 3D catheter tracking. This work proposes a method of dose-reduced 3D tracking using dynamic electronic collimation (DEC) of the SBDX scanning x-ray tube. Positions in the 2D focal spot array are selectively activated to create a regionof- interest (ROI) x-ray field around the tracked catheter. The ROI position is updated for each frame based on a motion vector calculated from the two most recent 3D tracking results. The technique was evaluated with SBDX data acquired as a catheter tip inside a chest phantom was pulled along a 3D trajectory. DEC scans were retrospectively generated from the detector images stored for each focal spot position. DEC imaging of a catheter tip in a volume measuring 11.4 cm across at isocenter required 340 active focal spots per frame, versus 4473 spots in full-FOV mode. The dose-area-product (DAP) and peak skin dose (PSD) for DEC versus full field-of-view (FOV) scanning were calculated using an SBDX Monte Carlo simulation code. DAP was reduced to 7.4% to 8.4% of the full-FOV value, consistent with the relative number of active focal spots (7.6%). For image sequences with a moving catheter, PSD was 33.6% to 34.8% of the full-FOV value. The root-mean-squared-deviation between DEC-based 3D tracking coordinates and full-FOV 3D tracking coordinates was less than 0.1 mm. The 3D distance between the tracked tip and the sheath centerline averaged 0.75 mm. Dynamic electronic collimation can reduce dose with minimal change in tracking performance.

  12. Electronic and magnetic structure of 3d-transition-metal point defects in silicon calculated from first principles

    NASA Astrophysics Data System (ADS)

    Beeler, F.; Andersen, O. K.; Scheffler, M.

    1990-01-01

    We describe spin-unrestricted self-consistent linear muffin-tin-orbital (LMTO) Green-function calculations for Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu transition-metal impurities in crystalline silicon. Both defect sites of tetrahedral symmetry are considered. All possible charge states with their spin multiplicities, magnetization densities, and energy levels are discussed and explained with a simple physical picture. The early transition-metal interstitial and late transition-metal substitutional 3d ions are found to have low spin. This is in conflict with the generally accepted crystal-field model of Ludwig and Woodbury, but not with available experimental data. For the interstitial 3d ions, the calculated deep donor and acceptor levels reproduce all experimentally observed transitions. For substitutional 3d ions, a large number of predictions is offered to be tested by future experimental studies.

  13. Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory

    SciTech Connect

    Weathersby, S. P.; Brown, G.; Centurion, M.; Chase, T. F.; Coffee, R.; Corbett, J.; Eichner, J. P.; Frisch, J. C.; Fry, A. R.; Gühr, M.; Hartmann, N.; Hast, C.; Hettel, R.; Jobe, R. K.; Jongewaard, E. N.; Lewandowski, J. R.; Li, R. K.; Lindenberg, A. M.; Makasyuk, I.; May, J. E.; McCormick, D.; Nguyen, M. N.; Reid, A. H.; Shen, X.; Sokolowski-Tinten, K.; Vecchione, T.; Vetter, S. L.; Wu, J.; Yang, J.; Dürr, H. A.; Wang, X. J.

    2015-07-01

    Ultrafast electron probes are powerful tools, complementary to x-ray free-electron lasers, used to study structural dynamics in material, chemical, and biological sciences. High brightness, relativistic electron beams with femtosecond pulse duration can resolve details of the dynamic processes on atomic time and length scales. SLAC National Accelerator Laboratory recently launched the Ultrafast Electron Diffraction (UED) and microscopy Initiative aiming at developing the next generation ultrafast electron scattering instruments. As the first stage of the Initiative, a mega-electron-volt (MeV) UED system has been constructed and commissioned to serve ultrafast science experiments and instrumentation development. The system operates at 120-Hz repetition rate with outstanding performance. In this paper, we report on the SLAC MeV UED system and its performance, including the reciprocal space resolution, temporal resolution, and machine stability.

  14. Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory.

    PubMed

    Weathersby, S P; Brown, G; Centurion, M; Chase, T F; Coffee, R; Corbett, J; Eichner, J P; Frisch, J C; Fry, A R; Gühr, M; Hartmann, N; Hast, C; Hettel, R; Jobe, R K; Jongewaard, E N; Lewandowski, J R; Li, R K; Lindenberg, A M; Makasyuk, I; May, J E; McCormick, D; Nguyen, M N; Reid, A H; Shen, X; Sokolowski-Tinten, K; Vecchione, T; Vetter, S L; Wu, J; Yang, J; Dürr, H A; Wang, X J

    2015-07-01

    Ultrafast electron probes are powerful tools, complementary to x-ray free-electron lasers, used to study structural dynamics in material, chemical, and biological sciences. High brightness, relativistic electron beams with femtosecond pulse duration can resolve details of the dynamic processes on atomic time and length scales. SLAC National Accelerator Laboratory recently launched the Ultrafast Electron Diffraction (UED) and microscopy Initiative aiming at developing the next generation ultrafast electron scattering instruments. As the first stage of the Initiative, a mega-electron-volt (MeV) UED system has been constructed and commissioned to serve ultrafast science experiments and instrumentation development. The system operates at 120-Hz repetition rate with outstanding performance. In this paper, we report on the SLAC MeV UED system and its performance, including the reciprocal space resolution, temporal resolution, and machine stability. PMID:26233391

  15. Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory

    SciTech Connect

    Weathersby, S. P.; Brown, G.; Chase, T. F.; Coffee, R.; Corbett, J.; Eichner, J. P.; Frisch, J. C.; Fry, A. R.; Gühr, M.; Hartmann, N.; Hast, C.; Hettel, R.; Jobe, R. K.; Jongewaard, E. N.; Lewandowski, J. R.; Li, R. K. Lindenberg, A. M.; Makasyuk, I.; May, J. E.; McCormick, D.; and others

    2015-07-15

    Ultrafast electron probes are powerful tools, complementary to x-ray free-electron lasers, used to study structural dynamics in material, chemical, and biological sciences. High brightness, relativistic electron beams with femtosecond pulse duration can resolve details of the dynamic processes on atomic time and length scales. SLAC National Accelerator Laboratory recently launched the Ultrafast Electron Diffraction (UED) and microscopy Initiative aiming at developing the next generation ultrafast electron scattering instruments. As the first stage of the Initiative, a mega-electron-volt (MeV) UED system has been constructed and commissioned to serve ultrafast science experiments and instrumentation development. The system operates at 120-Hz repetition rate with outstanding performance. In this paper, we report on the SLAC MeV UED system and its performance, including the reciprocal space resolution, temporal resolution, and machine stability.

  16. A Dictionary Approach to Electron Backscatter Diffraction Indexing.

    PubMed

    Chen, Yu H; Park, Se Un; Wei, Dennis; Newstadt, Greg; Jackson, Michael A; Simmons, Jeff P; De Graef, Marc; Hero, Alfred O

    2015-06-01

    We propose a framework for indexing of grain and subgrain structures in electron backscatter diffraction patterns of polycrystalline materials. We discretize the domain of a dynamical forward model onto a dense grid of orientations, producing a dictionary of patterns. For each measured pattern, we identify the most similar patterns in the dictionary, and identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixel's neighborhood. Indexing is accomplished by computing the mean orientation of the closest matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic three sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification. PMID:26055190

  17. Micrometer-scale 3-D shape characterization of eight cements: Particle shape and cement chemistry, and the effect of particle shape on laser diffraction particle size measurement

    SciTech Connect

    Erdogan, S.T.; Nie, X.; Stutzman, P.E.; Garboczi, E.J.

    2010-05-15

    Eight different portland cements were imaged on a synchrotron beam line at Brookhaven National Laboratory using X-ray microcomputed tomography at a voxel size of about 1 mum per cubic voxel edge. The particles ranged in size roughly between 10 mum and 100 mum. The shape and size of individual particles were computationally analyzed using spherical harmonic analysis. The particle shape difference between cements was small but significant, as judged by several different quantitative shape measures, including the particle length, width, and thickness distributions. It was found that the average shape of cement particles was closely correlated with the volume fraction of C{sub 3}S (alite) and C{sub 2}S (belite) making up the cement powder. It is shown that the non-spherical particle shape of the cements strongly influence laser diffraction results, at least in the sieve size range of 20 mum to 38 mum. Since laser diffraction particle size measurement is being increasingly used by the cement industry, while cement chemistry is always a main factor in cement production, these results could have important implications for how this kind of particle size measurement should be understood and used in the cement industry.

  18. Spatial 3D infrastructure: display-independent software framework, high-speed rendering electronics, and several new displays

    NASA Astrophysics Data System (ADS)

    Chun, Won-Suk; Napoli, Joshua; Cossairt, Oliver S.; Dorval, Rick K.; Hall, Deirdre M.; Purtell, Thomas J., II; Schooler, James F.; Banker, Yigal; Favalora, Gregg E.

    2005-03-01

    We present a software and hardware foundation to enable the rapid adoption of 3-D displays. Different 3-D displays - such as multiplanar, multiview, and electroholographic displays - naturally require different rendering methods. The adoption of these displays in the marketplace will be accelerated by a common software framework. The authors designed the SpatialGL API, a new rendering framework that unifies these display methods under one interface. SpatialGL enables complementary visualization assets to coexist through a uniform infrastructure. Also, SpatialGL supports legacy interfaces such as the OpenGL API. The authors" first implementation of SpatialGL uses multiview and multislice rendering algorithms to exploit the performance of modern graphics processing units (GPUs) to enable real-time visualization of 3-D graphics from medical imaging, oil & gas exploration, and homeland security. At the time of writing, SpatialGL runs on COTS workstations (both Windows and Linux) and on Actuality"s high-performance embedded computational engine that couples an NVIDIA GeForce 6800 Ultra GPU, an AMD Athlon 64 processor, and a proprietary, high-speed, programmable volumetric frame buffer that interfaces to a 1024 x 768 x 3 digital projector. Progress is illustrated using an off-the-shelf multiview display, Actuality"s multiplanar Perspecta Spatial 3D System, and an experimental multiview display. The experimental display is a quasi-holographic view-sequential system that generates aerial imagery measuring 30 mm x 25 mm x 25 mm, providing 198 horizontal views.

  19. Wavelengths of the 3p-3d transitions of the Co- and Fe-like ions: The effects of electron correlation

    SciTech Connect

    Chen, Mau Hsiung

    1987-09-02

    The experimental observations of the 3p/sup 6/ 3d/sup 9/ /sup 2/D - 3p/sup 5/ 3d/sup 10/ /sup 2/p transitions of the Co-like ions and 3p/sup 6/ 3d/sup 8/ /sup 3/F/sub 4/ - 3p/sup 5/ 3d/sup 9/ /sup 3/F/sub 3/ of the Fe-like ions have recently been extended to highly charged ions of heavy elements up to uranium (Z = 92). A comparison between the observed energies and calculated values from the Dirac-Fock model indicated persistent discrepancies of 3 to 4 eV for all ions. Systematic multiconfiguration Dirac-Fock calculations for these transitions have been carried out with emphases on the effects of electron correlation. The previously found discrepancies theory and experiment have mostly removed after the inclusion of the electron-electron correlation effects in the theoretical calculations. 13 refs.

  20. Design of a high-flux instrument for ultrafast electron diffraction and microscopy

    NASA Astrophysics Data System (ADS)

    Filippetto, D.; Qian, H.

    2016-05-01

    We present the design and optimization of a new instrument for ultrafast electron diffraction and imaging. The proposed instrument merges the high peak current and relativistic electron energies of radio-frequency guns, with the high average electron flux of static electron microscopes, extending the beam parameter space achievable with relativistic electrons by many orders of magnitude. An immediate consequence of this work is a broader range of accessible science by using electron probes, enabling techniques as femtosecond nano-diffraction and coherent diffraction imaging, and paving the way to direct observation of ultrafast dynamics in complex and isolated samples, from nanocrystals, to nano/micro droplets and organic molecules.

  1. X-ray Diffraction Study of Order-Disorder Phase Transition in CuMPt6 (M=3d Elements) Alloys

    NASA Astrophysics Data System (ADS)

    Ahmed, Ejaz; Takahashi, Miwako; Iwasaki, Hiroshi; Ohshima, Ken-ichi

    2009-01-01

    We investigated the ordering behavior of ternary CuMPt6 alloys with M=Ti, V, Cr, Mn, Fe, Co, and Ni by high-temperature polycrystalline X-ray diffraction. The alloys undergo a phase transition from the fcc disordered state to the Cu3Au-type ordered state, except for the alloy with M=Ni, in which only short-range order forms. The transition temperature Tc is highest (1593 K) for M=Ti and decreases almost monotonically with increasing atomic number to 1153 K for M=Co. The observed dependence of ordering tendency on the atomic number of M is discussed in the light of the theory of ordering in transition-metal alloys and its significance for the study of ordering in ternary alloys.

  2. Task reports on developing techniques for scattering by 3D composite structures and to generate new solutions in diffraction theory using higher order boundary conditions

    NASA Technical Reports Server (NTRS)

    Volakis, John L.

    1990-01-01

    There are two tasks described in this report. First, an extension of a two dimensional formulation is presented for a three dimensional body of revolution. With the introduction of a Fourier expansion of the vector electric and magnetic fields, a coupled two dimensional system is generated and solved via the finite element method. An exact boundary condition is employed to terminate the mesh and the fast fourier transformation is used to evaluate the boundary integrals for low O(n) memory demand when an iterative solution algorithm is used. Second, the diffraction by a material discontinuity in a thick dielectric/ferrite layer is considered by modeling the layer as a distributed current sheet obeying generalized sheet transition conditions (GSTC's).

  3. Positron annihilation study of the influence of doping on the 3 d electron states in the Ni3Al intermetallic compound

    NASA Astrophysics Data System (ADS)

    Druzhkov, A. P.; Perminov, D. A.; Stepanova, N. N.

    2010-10-01

    The 3 d electron states in Ni3Al single crystals doped with Fe, Co, and Nb have been investigated using angular correlation of annihilation radiation (ACAR). The ACAR spectra contain information on the momentum distribution of valence electrons and strongly bound 3 d electrons of the intermetallic compound. It has been established that the positrons in the Ni3Al crystals predominantly annihilate in the nickel sublattice from delocalized states. The doping of the compound by the third element leads to a variation in the momentum distribution of Ni 3 d electrons due to the change in the character of interatomic bonds. An analysis of the momentum distribution has demonstrated that the niobium atoms increase the covalent component of the chemical bond as compared to the binary compound due to the d Nb- d Ni hybridization. The doping with cobalt atoms also enhances the tendency toward the formation of the covalent bond. At the same time, iron atoms have a weak effect on the electronic structure of the intermetallic compound.

  4. Mapping of reciprocal space of La{sub 0.30}CoO{sub 2} in 3D: Analysis of superstructure diffractions and intergrowths with Co{sub 3}O{sub 4}

    SciTech Connect

    Brázda, Petr; Knížek, Karel

    2015-07-15

    We have used electron diffraction tomography and powder X-ray diffraction to elucidate the structural properties of layered cobaltate γ-La{sub 0.30}CoO{sub 2}. The structure consists of hexagonal sheets of edge-sharing CoO{sub 6} octahedra interleaved by lanthanum monolayers. The La{sup 3+} cations occupy only one third of available P2 sites, forming a 2-dimensional a√3×a√3 superstructure in a–b plane. The results show that there exists no order in the mutual relative shift between the neighbouring La interlayers within the a–b plane. This is manifested in the observed monotonous decrease of the diffracted intensity of the superstructure diffractions along c{sup ⁎} in both X-ray and electron diffraction data. The observed lack of stacking order differentiates the La{sub x}CoO{sub 2} from its Ca and Sr analogues where at least a partial stacking order of the cationic interlayers is manifested in experimental data published in literature. - Highlights: • We use electron diffraction tomography for reciprocal space mapping of La{sub 0.30}CoO{sub 2}. • We observed a complete disorder of the stacking of Lanthanum interlayers. • Co{sub 3}O{sub 4} intergrown with La{sub 0.30}CoO{sub 2} crystals brings about fake superstructure diffractions. • Twinning of Co{sub 3}O{sub 4} enhances the problem of fake superstructure diffractions.

  5. Bulk crystal growth and electronic characterization of the 3D Dirac semimetal Na{sub 3}Bi

    SciTech Connect

    Kushwaha, Satya K.; Krizan, Jason W.; Cava, R. J.; Feldman, Benjamin E.; Gyenis, András; Randeria, Mallika T.; Xiong, Jun; Xu, Su-Yang; Alidoust, Nasser; Belopolski, Ilya; Liang, Tian; Zahid Hasan, M.; Ong, N. P.; Yazdani, A.

    2015-04-01

    High quality hexagon plate-like Na{sub 3}Bi crystals with large (001) plane surfaces were grown from a molten Na flux. The freshly cleaved crystals were analyzed by low temperature scanning tunneling microscopy and angle-resolved photoemission spectroscopy, allowing for the characterization of the three-dimensional (3D) Dirac semimetal (TDS) behavior and the observation of the topological surface states. Landau levels were observed, and the energy-momentum relations exhibited a linear dispersion relationship, characteristic of the 3D TDS nature of Na{sub 3}Bi. In transport measurements on Na{sub 3}Bi crystals, the linear magnetoresistance and Shubnikov-de Haas quantum oscillations are observed for the first time.

  6. Nuclear contribution into single-event upset in 3D on-board electronics at moderate energy cosmic proton impact

    NASA Astrophysics Data System (ADS)

    Chechenin, N. G.; Chuvilskaya, T. V.; Shirokova, A. A.

    2016-05-01

    In continuation and development of our previous works where nuclear reactions of moderate energy (10 - 400 MeV) protons with Si, Al and W have been investigated, the results of reactions with Cu are reported in this paper. Cu is a most important component in composition of materials in contact pads and pathways of modern and perspective ultra large-scale integration circuitry, especially in 3D topology.

  7. Equation of state and phase transition of deuterated ammonia monohydrate (ND3.D2O) measured by high-resolution neutron powder diffraction up to 500 MPa

    NASA Astrophysics Data System (ADS)

    Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.

    2009-10-01

    We describe the results of a neutron powder diffraction study of perdeuterated ammonia monohydrate (AMH, ND3ṡD2O) carried out in the range 102

  8. High resolution electron diffraction analysis of structural changes associated with the photocycle of bacteriorhodopsin

    SciTech Connect

    Han, B. -G.

    1994-04-01

    Changes in protein structure that occur during the formation of the M photointermediate of bacteriorhodopsin can be directly visualized by electron diffraction techniques. Samples containing a high percentage of the M intermediate were trapped by rapidly cooling the crystals with liquid nitrogen following illumination with filtered green light at 240K and 260K respectively. Difference Fourier projection maps for M minus bR at two temperatures and for M{sub 260K} minus M{sub 240K} are presented. While it is likely that a unique M-substate is trapped when illuminated at 260K produces a mixture of the M{sub 240K} substate and a second M-substate which may have a protein structure similar to the N-intermediate. The diffraction data clearly show that statistically significant structural changes occur upon formation of the M{sub 240K} specimen and then further upon formation of the second substate which is present in the mixture that is produced at 260K. A preliminary 3-D difference map, based on data collected with samples tilted up to 30{degree}, has been constructed at a resolution of 3.5{angstrom} parallel to the membrane plane and a resolution of 8.5{angstrom} perpendicular to the membrane. The data have been analyzed by a number of different criteria to ensure that the differences seen reflect real conformation changes at a level which is significantly above the noise in the map. Furthermore, a comparison of the positions of specific backbone and side-chain groups relative to significant difference peaks suggests that it will be necessary to further refine the atomic resolution model before it will be possible to interpret the changes in chemical structure that occur in the protein at this stage of the photocycle.

  9. Electron Backscatter Diffraction (EBSD) Characterization of Uranium and Uranium Alloys

    SciTech Connect

    McCabe, Rodney J.; Kelly, Ann Marie; Clarke, Amy J.; Field, Robert D.; Wenk, H. R.

    2012-07-25

    Electron backscatter diffraction (EBSD) was used to examine the microstructures of unalloyed uranium, U-6Nb, U-10Mo, and U-0.75Ti. For unalloyed uranium, we used EBSD to examine the effects of various processes on microstructures including casting, rolling and forming, recrystallization, welding, and quasi-static and shock deformation. For U-6Nb we used EBSD to examine the microstructural evolution during shape memory loading. EBSD was used to study chemical homogenization in U-10Mo, and for U-0.75Ti, we used EBSD to study the microstructure and texture evolution during thermal cycling and deformation. The studied uranium alloys have significant microstructural and chemical differences and each of these alloys presents unique preparation challenges. Each of the alloys is prepared by a sequence of mechanical grinding and polishing followed by electropolishing with subtle differences between the alloys. U-6Nb and U-0.75Ti both have martensitic microstructures and both require special care in order to avoid mechanical polishing artifacts. Unalloyed uranium has a tendency to rapidly oxidize when exposed to air and a two-step electropolish is employed, the first step to remove the damaged surface layer resulting from the mechanical preparation and the second step to passivate the surface. All of the alloying additions provide a level of surface passivation and different one and two step electropolishes are employed to create good EBSD surfaces. Because of its low symmetry crystal structure, uranium exhibits complex deformation behavior including operation of multiple deformation twinning modes. EBSD was used to observe and quantify twinning contributions to deformation and to examine the fracture behavior. Figure 1 shows a cross section of two mating fracture surfaces in cast uranium showing the propensity of deformation twinning and intergranular fracture largely between dissimilarly oriented grains. Deformation of U-6Nb in the shape memory regime occurs by the motion

  10. Conformations and Coherences in Structure Determination by Ultrafast Electron Diffraction

    PubMed Central

    Lin, Milo M.; Shorokhov, Dmitry; Zewail, Ahmed H.

    2009-01-01

    In this article we consider consequences of spatial coherences and conformations in diffraction of (macro)molecules with different potential energy landscapes. The emphasis is on using this understanding to extract structural and temporal information from diffraction experiments. The theoretical analysis of structural interconversions spans an increased range of complexity, from small hydrocarbons to proteins. For each molecule considered, we construct the potential energy landscape and assess the characteristic conformational states available. For molecules that are quasi-harmonic in the vicinity of energy minima, we find that the distinct conformer model is sufficient even at high temperatures. If, however, the energy surface is either locally flat around the minima or the molecule includes many degrees of conformational freedom, a Boltzmann ensemble must be used, in what we define as the pseudoconformer approach, to reproduce the diffraction. For macromolecules with numerous energy minima, the ensemble of hundreds of structures is considered, but we also utilize the concept of the persistence length to provide information on orientational coherence and its use to assess the degree of resonance contribution to diffraction. It is shown that the erosion of the resonant features in diffraction which are characteristic of some quasi-periodic structural motifs can be exploited in experimental studies of conformational interconversions triggered by a laser-induced temperature jump. PMID:19320469

  11. Features of the ISO-25498: method of selected area electron diffraction analysis in transmission electron microscopy.

    PubMed

    Liu, Delu

    2013-08-01

    International standard ISO-25498 specifies the method of selected area electron diffraction (SAED) analysis in TEM. It is applicable to the acquisition of SAED patterns, indexing the patterns and calibration of diffraction constant. Several features of this standard are introduced. As an example of the applications, phosphide with nanometer scale in a low-carbon steel produced by compact strip production process was analyzed by SAED and EDX. The phosphide precipitates in the steel are identified as M x P, where x is 2-3 and M is Fe, Ti, Cr, or Ni. It possesses a hexagonal lattice with lattice parameter a = 0.609 nm and c = 0.351 nm. PMID:23920207

  12. High-Throughput Processes and Structural Characterization of Single-Nanotube Based Devices for 3D Electronics

    NASA Technical Reports Server (NTRS)

    Kaul, A. B.; Megerian, K. G.; Baron, R. L.; Jennings, A. T.; Jang, D.; Greer, J. R.

    2011-01-01

    We have developed manufacturable approaches to form single, vertically aligned carbon nanotubes, where the tubes are centered precisely, and placed within a few hundred nm of 1-1.5 micron deep trenches. These wafer-scale approaches were enabled by chemically amplified resists and inductively coupled Cryo-etchers to form the 3D nanoscale architectures. The tube growth was performed using dc plasmaenhanced chemical vapor deposition (PECVD), and the materials used for the pre-fabricated 3D architectures were chemically and structurally compatible with the high temperature (700 C) PECVD synthesis of our tubes, in an ammonia and acetylene ambient. The TEM analysis of our tubes revealed graphitic basal planes inclined to the central or fiber axis, with cone angles up to 30 deg. for the particular growth conditions used. In addition, bending tests performed using a custom nanoindentor, suggest that the tubes are well adhered to the Si substrate. Tube characteristics were also engineered to some extent, by adjusting growth parameters, such as Ni catalyst thickness, pressure and plasma power during growth.

  13. High-throughput processes and structural characterization of single-nanotube based devices for 3D electronics

    NASA Astrophysics Data System (ADS)

    Kaul, A. B.; Megerian, K. G.; Baron, R. L.; Jennings, A. T.; Jang, D.; Greer, J. R.

    2009-05-01

    We have developed manufacturable approaches to form single, vertically aligned carbon nanotubes, where the tubes are centered precisely, and placed within a few hundred nm of 1-1.5 μm deep trenches. These wafer-scale approaches were enabled by chemically amplified resists and inductively coupled Cryo-etchers to form the 3D nanoscale architectures. The tube growth was performed using dc plasmaenhanced chemical vapor deposition (PECVD), and the materials used for the pre-fabricated 3D architectures were chemically and structurally compatible with the high temperature (700 °C) PECVD synthesis of our tubes, in an ammonia and acetylene ambient. The TEM analysis of our tubes revealed graphitic basal planes inclined to the central or fiber axis, with cone angles up to 30° for the particular growth conditions used. In addition, bending tests performed using a custom nanoindentor, suggest that the tubes are well adhered to the Si substrate. Tube characteristics were also engineered to some extent, by adjusting growth parameters, such as Ni catalyst thickness, pressure and plasma power during growth.

  14. X-Ray-Diffraction Tests Of Irradiated Electronic Devices: I

    NASA Technical Reports Server (NTRS)

    Shaw, David C.; Lowry, Lynn E.; Barnes, Charles E.

    1993-01-01

    X-ray-diffraction tests performed on aluminum conductors in commercial HI1-507A complementary metal oxide/semiconductor (CMOS) integrated-circuit analog multiplexers, both before and after circuits exposed to ionizing radiation from Co(60) source, and after postirradiation annealing at ambient and elevated temperatures. Tests in addition to electrical tests performed to determine effects of irradiation and of postirradiation annealing on electrical operating characteristics of circuits. Investigators sought to determine whether relationship between effects of irradiation on devices and physical stresses within devices. X-ray diffraction potentially useful for nondestructive measurement of stresses.

  15. Electronic structure of the chiral helimagnet and 3d-intercalated transition metal dichalcogenide Cr1/3NbS2

    DOE PAGESBeta

    Sirca, N.; Mo, S. -K.; Bondino, F.; Pis, I.; Nappini, S.; Vilmercati, P.; Yi, Jieyu; Gai, Zheng; Snijders, Paul C.; Das, P. K.; et al

    2016-08-18

    The electronic structure of the chiral helimagnet Cr1/3NbS2 has been studied with core level and angle-resolved photoemission spectroscopy (ARPES). Intercalated Cr atoms are found to be effective in donating electrons to the NbS2 layers but also cause significant modifications of the electronic structure of the host NbS2 material. Specifically, the data provide evidence that a description of the electronic structure of Cr1/3NbS2 on the basis of a simple rigid band picture is untenable. The data also reveal substantial inconsistencies with the predictions of standard density functional theory. In conclusion, the relevance of these results to the attainment of a correctmore » description of the electronic structure of chiral helimagnets, magnetic thin films/multilayers, and transition metal dichalcogenides intercalated with 3d magnetic elements is discussed.« less

  16. Do's and don'ts of cryo-electron microscopy: a primer on sample preparation and high quality data collection for macromolecular 3D reconstruction.

    PubMed

    Cabra, Vanessa; Samsó, Montserrat

    2015-01-01

    Cryo-electron microscopy (cryoEM) entails flash-freezing a thin layer of sample on a support, and then visualizing the sample in its frozen hydrated state by transmission electron microscopy (TEM). This can be achieved with very low quantity of protein and in the buffer of choice, without the use of any stain, which is very useful to determine structure-function correlations of macromolecules. When combined with single-particle image processing, the technique has found widespread usefulness for 3D structural determination of purified macromolecules. The protocol presented here explains how to perform cryoEM and examines the causes of most commonly encountered problems for rational troubleshooting; following all these steps should lead to acquisition of high quality cryoEM images. The technique requires access to the electron microscope instrument and to a vitrification device. Knowledge of the 3D reconstruction concepts and software is also needed for computerized image processing. Importantly, high quality results depend on finding the right purification conditions leading to a uniform population of structurally intact macromolecules. The ability of cryoEM to visualize macromolecules combined with the versatility of single particle image processing has proven very successful for structural determination of large proteins and macromolecular machines in their near-native state, identification of their multiple components by 3D difference mapping, and creation of pseudo-atomic structures by docking of x-ray structures. The relentless development of cryoEM instrumentation and image processing techniques for the last 30 years has resulted in the possibility to generate de novo 3D reconstructions at atomic resolution level. PMID:25651412

  17. Do's and Don'ts of Cryo-electron Microscopy: A Primer on Sample Preparation and High Quality Data Collection for Macromolecular 3D Reconstruction

    PubMed Central

    Cabra, Vanessa; Samsó, Montserrat

    2015-01-01

    Cryo-electron microscopy (cryoEM) entails flash-freezing a thin layer of sample on a support, and then visualizing the sample in its frozen hydrated state by transmission electron microscopy (TEM). This can be achieved with very low quantity of protein and in the buffer of choice, without the use of any stain, which is very useful to determine structure-function correlations of macromolecules. When combined with single-particle image processing, the technique has found widespread usefulness for 3D structural determination of purified macromolecules. The protocol presented here explains how to perform cryoEM and examines the causes of most commonly encountered problems for rational troubleshooting; following all these steps should lead to acquisition of high quality cryoEM images. The technique requires access to the electron microscope instrument and to a vitrification device. Knowledge of the 3D reconstruction concepts and software is also needed for computerized image processing. Importantly, high quality results depend on finding the right purification conditions leading to a uniform population of structurally intact macromolecules. The ability of cryoEM to visualize macromolecules combined with the versatility of single particle image processing has proven very successful for structural determination of large proteins and macromolecular machines in their near-native state, identification of their multiple components by 3D difference mapping, and creation of pseudo-atomic structures by docking of x-ray structures. The relentless development of cryoEM instrumentation and image processing techniques for the last 30 years has resulted in the possibility to generate de novo 3D reconstructions at atomic resolution level. PMID:25651412

  18. Improved robustness study of a shock ignited target, with DUED code including non-local electron transport and 3D laser ray-tracing

    NASA Astrophysics Data System (ADS)

    Atzeni, Stefano; Marocchino, Alberto; Schiavi, Angelo

    2016-03-01

    Accurate descriptions of laser power coupling to the plasma and electron energy transport are crucial for designing shock-ignition targets and assessing their robustness (in particular with regard to laser and positioning errors). To this purpose, the 2D DUED laser fusion code has been improved with the inclusion of a 3D laser ray-tracing scheme and a model for non-local electron transport. 2D simulations with the upgraded code are presented; the dependence of the fusion yield vs target displacement is studied. Two different irradiation configurations are considered.

  19. Ultrafast electron diffraction optimized for studying structural dynamics in thin films and monolayers.

    PubMed

    Badali, D S; Gengler, R Y N; Miller, R J D

    2016-05-01

    A compact electron source specifically designed for time-resolved diffraction studies of free-standing thin films and monolayers is presented here. The sensitivity to thin samples is achieved by extending the established technique of ultrafast electron diffraction to the "medium" energy regime (1-10 kV). An extremely compact design, in combination with low bunch charges, allows for high quality diffraction in a lensless geometry. The measured and simulated characteristics of the experimental system reveal sub-picosecond temporal resolution, while demonstrating the ability to produce high quality diffraction patterns from atomically thin samples. PMID:27226978

  20. Ultrafast electron diffraction optimized for studying structural dynamics in thin films and monolayers

    PubMed Central

    Badali, D. S.; Gengler, R. Y. N.; Miller, R. J. D.

    2016-01-01

    A compact electron source specifically designed for time-resolved diffraction studies of free-standing thin films and monolayers is presented here. The sensitivity to thin samples is achieved by extending the established technique of ultrafast electron diffraction to the “medium” energy regime (1–10 kV). An extremely compact design, in combination with low bunch charges, allows for high quality diffraction in a lensless geometry. The measured and simulated characteristics of the experimental system reveal sub-picosecond temporal resolution, while demonstrating the ability to produce high quality diffraction patterns from atomically thin samples. PMID:27226978

  1. Comparing ultrafast surface and bulk heating using time-resolved electron diffraction

    SciTech Connect

    Streubühr, C.; Kalus, A.; Zhou, P. Kammler, M.; Linde, D. von der; Ligges, M.; Hanisch-Blicharski, A.; Bovensiepen, U.; Horn-von Hoegen, M.

    2014-04-21

    From measurements of the transient Debye-Waller effect in Bismuth, we determine the buildup time of the random atomic motion resulting from the electronic relaxation after short pulse laser excitation. The surface sensitive reflection high energy electron diffraction and transmission electron diffraction yield a time constant of about 12 ps and 3 ps, respectively. The different energy transfer rates indicate relatively weak coupling between bulk and surface vibrational modes.

  2. A Computational Algorithm to Produce Virtual X-ray and Electron Diffraction Patterns from Atomistic Simulations

    NASA Astrophysics Data System (ADS)

    Coleman, Shawn P.; Sichani, Mehrdad M.; Spearot, Douglas E.

    2014-03-01

    Electron and x-ray diffraction are well-established experimental methods used to explore the atomic scale structure of materials. In this work, a computational algorithm is developed to produce virtual electron and x-ray diffraction patterns directly from atomistic simulations. This algorithm advances beyond previous virtual diffraction methods by using a high-resolution mesh of reciprocal space that eliminates the need for a priori knowledge of the crystal structure being modeled or other assumptions concerning the diffraction conditions. At each point on the reciprocal space mesh, the diffraction intensity is computed via explicit computation of the structure factor equation. To construct virtual selected-area electron diffraction patterns, a hemispherical slice of the reciprocal lattice mesh lying on the surface of the Ewald sphere is isolated and viewed along a specified zone axis. X-ray diffraction line profiles are created by binning the intensity of each reciprocal lattice point by its associated scattering angle, effectively mimicking powder diffraction conditions. The virtual diffraction algorithm is sufficiently generic to be applied to atomistic simulations of any atomic species. In this article, the capability and versatility of the virtual diffraction algorithm is exhibited by presenting findings from atomistic simulations of <100> symmetric tilt Ni grain boundaries, nanocrystalline Cu models, and a heterogeneous interface formed between α-Al2O3 (0001) and γ-Al2O3 (111).

  3. Extracellular vesicles of calcifying turkey leg tendon characterized by immunocytochemistry and high voltage electron microscopic tomography and 3-D graphic image reconstruction

    NASA Technical Reports Server (NTRS)

    Landis, W. J.; Hodgens, K. J.; McKee, M. D.; Nanci, A.; Song, M. J.; Kiyonaga, S.; Arena, J.; McEwen, B.

    1992-01-01

    To gain insight into the structure and possible function of extracellular vesicles in certain calcifying vertebrate tissues, normally mineralizing leg tendons from the domestic turkey, Meleagris gallopavo, have been studied in two separate investigations, one concerning the electron microscopic immunolocalization of the 66 kDa phosphoprotein, osteopontin, and the other detailing the organization and distribution of mineral crystals associated with the vesicles as determined by high voltage microscopic tomography and 3-D graphic image reconstruction. Immunolabeling shows that osteopontin is related to extracellular vesicles of the tendon in the sense that its initial presence appears coincident with the development of mineral associated with the vesicle loci. By high voltage electron microscopy and 3-D imaging techniques, mineral crystals are found to consist of small irregularly shaped particles somewhat randomly oriented throughout individual vesicles sites. Their appearance is different from that found for the mineral observed within calcifying tendon collagen, and their 3-D disposition is not regularly ordered. Possible spatial and temporal relationships of vesicles, osteopontin, mineral, and collagen are being examined further by these approaches.

  4. Differential and integrated cross sections for excitation to the 3s, 3p, and 3d states of atomic hydrogen by electron impact below the n=4 threshold

    SciTech Connect

    Bartlett, Philip L.; Bray, Igor; Stelbovics, Andris T.; Williams, J. F.; Mikosza, A. G.

    2006-08-15

    Integrated cross sections for the electron-impact excitation of ground-state hydrogen to the 3s, 3p, and 3d final states have been calculated using propagating exterior complex scaling and convergent close-coupling methods at energies between the n=3 and 4 excitation thresholds. The calculations are in excellent agreement and demonstrate that exterior complex scaling methods can accurately reproduce the resonance structure and magnitude of the excitation cross sections below the ionization threshold. Measurements of the separate 3s, 3p, and 3d differential cross sections were made at 12.24 eV, and are consistent with both calculations within a total experimental uncertainty of about 35%.

  5. Structural, electronic and magnetic properties of 3d transition metals embedded graphene-like carbon nitride sheet: A DFT + U study

    NASA Astrophysics Data System (ADS)

    Zhang, Shuai; Chi, Runze; Li, Chong; Jia, Yu

    2016-03-01

    Using first-principles calculations, we have investigated the structural, electronic and magnetic properties of 3d transition-metals (TMs) embedded two dimensional graphene-like carbon nitride sheet (TMs@g-CN). Our results show that TMs embed in the cavity of g-CN sheet regularly and keep intact of the planar structure, though there is Jahn-Teller distortion inevitably. Additionally, the nonmagnetic and semiconducting sheet can be significantly modulated to be magnetic and metallic behaviors induced by the resonant impurity states between TMs 3d and g-CN 2p orbitals. Moreover, we also explore the magnetic coupling of TMs@g-CN and find that it varies dramatically with the change of the distance between TMs, i.e., from ferromagnetic (FM) to antiferromagnetic (AFM) transition. Finally, the underlying physical mechanism of the above findings is discussed.

  6. Coherent forward and backward diffraction radiation of relativistic electrons in a dielectric targets

    NASA Astrophysics Data System (ADS)

    Naumenko, G. A.; Shevelev, M. V.; Popov, Yu A.

    2016-08-01

    During the interaction of the relativistic electrons field with a dielectric target various types of electromagnetic radiation, such as Cerenkov radiation, diffraction radiation, transition radiation can be generated. In this report we present the results of experimental studies of the diffraction radiation generated by relativistic electrons in a dielectric target at the interface vacuum-insulator and insulator-conductor in the millimeter wavelength range. The experimental results show that the component of the diffraction radiation of relativistic electrons at the interface insulator-conductor, for any significant refractive index of insulator, is suppressed. The analysis of the results from different points of view was done.

  7. Nanoscale diffraction gratings and electron vortex beams in a scanning electron microscope

    NASA Astrophysics Data System (ADS)

    Schachtner, Alexander; Wright, Carly; McMorran, Benjamin; Harvey, Tyler; Yahn, Tyler; Pierce, Jordan

    2012-10-01

    We use focused ion beam nanofabrication to manufacture forked diffraction gratings capable of producing electron beams with helical wavefronts and orbital angular momentum (OAM). A vast number of unique beam modes carrying OAM can be produced through manipulation of grating fork number or position. Generally these gratings are milled such that they produce a phase shift in the beam and are used with high energy electrons (300keV) in a TEM to investigate the quantum or magnetic properties of the electron or image magnetic materials. Our latest work focuses on manufacturing sub-100-nm pitch binary transmission gratings that produce only an amplitude modulation, which opens up imaging capability to lower energy electrons (5-30 keV) and thus expands their use to a wider range of commercially available SEMs. We use these amplitude gratings to show the relationship between the number/position of forks and OAM inherited by the beam. This work could lead to advances in imaging capability, and also creates a widely accessible and scalable demonstration of the quantum properties of the electron which can be leveraged by any science program with SEM access.

  8. A new 3D grid method for accurate electronic structure calculation of polyatomic molecules: The Voronoi-cell finite difference method

    NASA Astrophysics Data System (ADS)

    Son, Sang-Kil; Chu, Shih-I.

    2008-05-01

    We introduce a new computational method on unstructured grids in the three-dimensional (3D) spaces to investigate the electronic structure of polyatomic molecules. The Voronoi-cell finite difference (VFD) method realizes a simple discrete Laplacian operator on unstructured grids based on Voronoi cells and their natural neighbors. The feature of unstructured grids enables us to choose intuitive pictures for an optimal molecular grid system. The new VFD method achieves highly adaptability by the Voronoi-cell diagram and yet simplicity by the finite difference scheme. It has no limitation in local refinement of grids in the vicinity of nuclear positions and provides an explicit expression at each grid without any integration. This method augmented by unstructured molecular grids is suitable for solving the Schr"odinger equation with the realistic 3D Coulomb potentials regardless of symmetry of molecules. For numerical examples, we test accuracies for electronic structures of one-electron polyatomic systems: linear H2^+ and triangular H3^++. We also extend VFD to the density functional theory (DFT) for many-electron polyatomic molecules.

  9. Time-resolved measurements with streaked diffraction patterns from electrons generated in laser plasma wakefield

    NASA Astrophysics Data System (ADS)

    He, Zhaohan; Nees, John; Hou, Bixue; Krushelnick, Karl; Thomas, Alec; Beaurepaire, Benoît; Malka, Victor; Faure, Jérôme

    2013-10-01

    Femtosecond bunches of electrons with relativistic to ultra-relativistic energies can be robustly produced in laser plasma wakefield accelerators (LWFA). Scaling the electron energy down to sub-relativistic and MeV level using a millijoule laser system will make such electron source a promising candidate for ultrafast electron diffraction (UED) applications due to the intrinsic short bunch duration and perfect synchronization with the optical pump. Recent results of electron diffraction from a single crystal gold foil, using LWFA electrons driven by 8-mJ, 35-fs laser pulses at 500 Hz, will be presented. The accelerated electrons were collimated with a solenoid magnetic lens. By applying a small-angle tilt to the magnetic lens, the diffraction pattern can be streaked such that the temporal evolution is separated spatially on the detector screen after propagation. The observable time window and achievable temporal resolution are studied in pump-probe measurements of photo-induced heating on the gold foil.

  10. Hydrogen in polar intermetallics: Syntheses and structures of the ternary Ca5Bi3D0.93, Yb5Bi3Hx, and Sm5Bi3H~1 by powder neutron or single crystal X-ray diffraction

    SciTech Connect

    Leon-Escamilla, E. Alejandro; Dervenagas, Panagiotis; Stasis, Constantine; Corbett, John D.

    2010-01-01

    The syntheses of the title compounds are described in detail. Structural characterizations from refinements of single crystal X-ray diffraction data for Yb{sub 5}Bi{sub 3}H{sub x} and Sm{sub 5}Bi{sub 3}H{sub 1} and of powder neutron diffraction data for Ca{sub 5}Bi{sub 3}D{sub 0.93(3)} are reported. These confirm that all three crystallize with the heavy atom structure type of {beta}-Yb{sub 5}Sb{sub 3}, and the third gives the first proof that the deuterium lies in the center of nominal calcium tetrahedra, isostructural with the Ca{sub 5}Sb{sub 3}F-type structure. These Ca and Yb phases are particularly stable with respect to dissociation to Mn{sub 5}Si{sub 3}-type product plus H{sub 2}. Some contradictions in the literature regarding Yb{sub 5}Sb{sub 3} and Yb{sub 5}Sb{sub 3}H{sub x} phases are considered in terms of adventitious hydrogen impurities that are generated during reactions in fused silica containers at elevated temperatures.

  11. Teaching Diffraction of Light and Electrons: Classroom Analogies to Classic Experiments

    ERIC Educational Resources Information Center

    Velentzas, Athanasios

    2014-01-01

    Diffraction and interference are phenomena that demonstrate the wave nature of light and of particles. Experiments relating to the diffraction/interference of light can easily be carried out in an educational lab, but it may be impossible to perform experiments involving electrons because of the lack of specialized equipment needed for such…

  12. Spatially Resolved Energetic Electron Properties for the 21 May 2004 Flare from Radio Observations and 3D Simulations

    NASA Astrophysics Data System (ADS)

    Kuznetsov, A. A.; Kontar, E. P.

    2015-01-01

    We investigated in detail the 21 May 2004 flare using simultaneous observations of the Nobeyama Radioheliograph, the Nobeyama Radiopolarimeters, the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI), and the Solar and Heliospheric Observatory (SOHO). The flare images in different spectral ranges reveal a well-defined single flaring loop in this event. We simulated the gyrosynchrotron microwave emission using the recently developed interactive IDL tool GX Simulator. By comparing the simulation results with the observations, we deduced the spatial and spectral properties of the non-thermal electron distribution. The microwave emission has been found to be produced by the high-energy electrons (> 100 keV) with a relatively hard spectrum ( δ≃2); the electrons were strongly concentrated near the loop top. At the same time, the number of high-energy electrons near the footpoints was too low to be detected in the RHESSI images and spatially unresolved data. The SOHO Extreme-ultraviolet Imaging Telescope images and the low-frequency microwave spectra suggest the presence of an extended "envelope" of the loop with lower magnetic field. Most likely, the energetic electron distribution in the considered flare reflects the localized (near the loop top) particle acceleration (injection) process accompanied by trapping and scattering.

  13. Visualising the 3D Structure of Fine-Grained Estuarine Sediments; Preliminary Interpretations of a Novel Dataset Obtained via Volume Electron Microscopy

    NASA Astrophysics Data System (ADS)

    Wheatland, Jonathan; Bushby, Andy; Spencer, Kate; Carr, Simon

    2014-05-01

    Accurate measurement of the physical characteristics of sediment are critical to determining sediment transport behaviour and the stability of settled deposits. The properties (e.g. particle size, density, and settling velocity) of coarse-grained sediments (> 63 μm φ) can be easily characterised, hence their behaviour is relatively simple to predict and model. However, due to their small size and tendency to interact with their surrounding medium, the characteristics of fine sediments (< 63 μm φ) and their behaviour during transportation, deposition and consolidation is poorly understood. Recent studies have used correlative microscopy, a multi-method technique combining scanning confocal laser microscopy (SCLM), conventional optical microscopy (COM), and transmission electron microscopy (TEM), to characterise fine sediments at both the gross (> 1 μm) and sub-micron scale (Droppo et al., 1996). Whilst this technique has proven insightful, the measurement of geometric properties (e.g. the shape of primary particles and their spatial arrangement) can only be achieved by three-dimensional (3D) analysis and the scale of observation for e.g. TEM does not overlap with those techniques used to characterise sediments at larger scales (100s to 1000s microns) (e.g. video analysis). Volume electron microscopy [or focused ion beam scanning electron microscopy (FIB-SEM)] provides 3D analysis at scales of 10s to 1000s microns and though widely used in cell biology, has not been used to observe sediment. FIB-SEM requires samples that are vacuum stable and a key challenge will be to capture fragile, hydrated sediment samples whilst preserving their structural integrity. The aims of this work are therefore: 1) to modify preparation techniques currently used in cell biology for the stabilization of sedimentary materials; 2) to acquire 3D datasets for both fragile suspended sediments (flocs) and consolidated bed sediments and 3) to interpret the 3D structure of these samples. In

  14. Initial Self-Consistent 3D Electron-Cloud Simulations of the LHC Beam with the Code WARP+POSINST

    SciTech Connect

    Vay, J; Furman, M A; Cohen, R H; Friedman, A; Grote, D P

    2005-10-11

    We present initial results for the self-consistent beam-cloud dynamics simulations for a sample LHC beam, using a newly developed set of modeling capability based on a merge [1] of the three-dimensional parallel Particle-In-Cell (PIC) accelerator code WARP [2] and the electron-cloud code POSINST [3]. Although the storage ring model we use as a test bed to contain the beam is much simpler and shorter than the LHC, its lattice elements are realistically modeled, as is the beam and the electron cloud dynamics. The simulated mechanisms for generation and absorption of the electrons at the walls are based on previously validated models available in POSINST [3, 4].

  15. Electron diffraction studies of molecular ordering and orientation in phospholipid monolayer domains.

    PubMed Central

    Hui, S W; Yu, H

    1993-01-01

    The molecular order and orientation of phase separated domains in monolayers of DP(Me)PE and DP(Me)2PE were determined by electron diffraction. Dark and bright fluorescent domains at the air-water interface were observed by fluorescence microscopy. The monolayers were transferred to Formvar coated electron microscope grids for electron diffraction studies. The positions of domains on the marker grids were recorded in fluorescence micrographs, which were used as guide maps to locate these domains in the electron microscope. Selected area electron diffraction patterns were obtained from predetermined areas within and outside the dark domains. Sharp hexagonal diffraction patterns were recorded from dark domains, and diffuse diffraction rings from bright areas in between dark domains. The diffraction results indicated that the dark domains and bright areas were comprised of lipid molecules in solid and fluid states, respectively. The orientation of diffraction patterns from adjacent locations within a dark domains changed gradually, indicating a continuous bending of the molecular packing lattice vector within these domains. Orientation directors in U-shaped DP(Me)2PE domains followed the turn of the arm; no vortex nor branching was indicated by electron diffraction. Directors branching from the "stem" of highly invaginated DP(Me)PE domains usually occurred at twinning angles of n pi/3 from the stem director, which would minimize packing defects in the development of thinner branches. Electron diffraction from local areas of individual domains proved that dark fluorescent domains were solid ones, and that pseudo-long range order existed in these solid domains. Images FIGURE 1 FIGURE 2 FIGURE 3 FIGURE 4 FIGURE 5 FIGURE 6 FIGURE 7 FIGURE 8 PMID:8431539

  16. High-resolution noise substitution to measure overfitting and validate resolution in 3D structure determination by single particle electron cryomicroscopy.

    PubMed

    Chen, Shaoxia; McMullan, Greg; Faruqi, Abdul R; Murshudov, Garib N; Short, Judith M; Scheres, Sjors H W; Henderson, Richard

    2013-12-01

    Three-dimensional (3D) structure determination by single particle electron cryomicroscopy (cryoEM) involves the calculation of an initial 3D model, followed by extensive iterative improvement of the orientation determination of the individual particle images and the resulting 3D map. Because there is much more noise than signal at high resolution in the images, this creates the possibility of noise reinforcement in the 3D map, which can give a false impression of the resolution attained. The balance between signal and noise in the final map at its limiting resolution depends on the image processing procedure and is not easily predicted. There is a growing awareness in the cryoEM community of how to avoid such over-fitting and over-estimation of resolution. Equally, there has been a reluctance to use the two principal methods of avoidance because they give lower resolution estimates, which some people believe are too pessimistic. Here we describe a simple test that is compatible with any image processing protocol. The test allows measurement of the amount of signal and the amount of noise from overfitting that is present in the final 3D map. We have applied the method to two different sets of cryoEM images of the enzyme beta-galactosidase using several image processing packages. Our procedure involves substituting the Fourier components of the initial particle image stack beyond a chosen resolution by either the Fourier components from an adjacent area of background, or by simple randomisation of the phases of the particle structure factors. This substituted noise thus has the same spectral power distribution as the original data. Comparison of the Fourier Shell Correlation (FSC) plots from the 3D map obtained using the experimental data with that from the same data with high-resolution noise (HR-noise) substituted allows an unambiguous measurement of the amount of overfitting and an accompanying resolution assessment. A simple formula can be used to calculate an

  17. High-Throughput Top-Down and Bottom-Up Processes for Forming Single-Nanotube Based Architectures for 3D Electronics

    NASA Technical Reports Server (NTRS)

    Kaul, Anupama B.; Megerian, Krikor G.; von Allmen, Paul; Kowalczyk, Robert; Baron, Richard

    2009-01-01

    We have developed manufacturable approaches to form single, vertically aligned carbon nanotubes, where the tubes are centered precisely, and placed within a few hundred nm of 1-1.5 micron deep trenches. These wafer-scale approaches were enabled by chemically amplified resists and inductively coupled Cryo-etchers for forming the 3D nanoscale architectures. The tube growth was performed using dc plasma-enhanced chemical vapor deposition (PECVD), and the materials used for the pre-fabricated 3D architectures were chemically and structurally compatible with the high temperature (700 C) PECVD synthesis of our tubes, in an ammonia and acetylene ambient. Tube characteristics were also engineered to some extent, by adjusting growth parameters, such as Ni catalyst thickness, pressure and plasma power during growth. Such scalable, high throughput top-down fabrication techniques, combined with bottom-up tube synthesis, should accelerate the development of PECVD tubes for applications such as interconnects, nano-electromechanical (NEMS), sensors or 3D electronics in general.

  18. Holographically recorded photopolymer diffractive optical element for holographic and electronic speckle-pattern interferometry

    NASA Astrophysics Data System (ADS)

    Guntaka, Sridhar Reddy; Toal, Vincent; Martin, Suzanne

    2002-12-01

    A diffractive optical element is described that can be used to implement a very simple self-aligning electronic speckle-pattern interferometer and holographic interferometer that requires only a laser source and a camera in the optical setup.

  19. Evolution of chemical bonding and electron density rearrangements during D(3h) → D(3d) reaction in monolayered TiS2: a QTAIM and ELF study.

    PubMed

    Ryzhikov, Maxim R; Slepkov, Vladimir A; Kozlova, Svetlana G; Gabuda, Svyatoslav P

    2014-08-15

    Monolayered titanium disulfide TiS2, a prospective nanoelectronic material, was previously shown to be subject to an exothermic solid-state D3h -D3d reaction that proceeds via a newly discovered transition state. Here, we study the reaction in detail using topological methods of quantum chemistry (quantum theory of atoms in molecules and electron localization function analysis) and show how electron density and chemical bonding between the atoms change in the course of the reaction. The reaction is shown to undergo a series of topological catastrophes, associated with elementary chemical events such as break and formation of bonds (including the unexpected formation of S-S bonding between sulfur layers), and rearrangement of electron density of outer valence and core shells. PMID:24943852

  20. Hierarchical graphene nanocones over 3D platform of carbon fabrics: A route towards fully foldable graphene based electron source

    NASA Astrophysics Data System (ADS)

    Maiti, Uday N.; Maiti, Soumen; Das, Nirmalya S.; Chattopadhyay, Kalyan K.

    2011-10-01

    A three dimensional field emitter comprising hierarchical nanostructures of graphene over flexible fabric substrate is presented. The nanostructuring is realized through plasma treatment of graphene, coaxially deposited over individual carbon fiber by means of simple aqueous phase electrophoretic deposition technique. Hierarchical graphene nanocone, acting as a cold electron emitter, exhibits outstanding electron emission performance with a turn-on field as low as 0.41 V μm-1 and a threshold field down to 0.81 V μm-1. Electric field modification around the special woven like geometry of the underlying base fabric substrate serves as the booster to the nanostructured graphene related field amplification at the electron emission site. Superb robustness in the emission stability can be attributed to suppressed joule heating on behalf of higher inborn accessible surface area of graphene nanocone as well as excellent electrical and thermal conductivity of both the graphene and carbon fabrics. Superior flexibility of this high-performance graphene based emitter ensures their potential use in completely foldable and wearable field emission devices.A three dimensional field emitter comprising hierarchical nanostructures of graphene over flexible fabric substrate is presented. The nanostructuring is realized through plasma treatment of graphene, coaxially deposited over individual carbon fiber by means of simple aqueous phase electrophoretic deposition technique. Hierarchical graphene nanocone, acting as a cold electron emitter, exhibits outstanding electron emission performance with a turn-on field as low as 0.41 V μm-1 and a threshold field down to 0.81 V μm-1. Electric field modification around the special woven like geometry of the underlying base fabric substrate serves as the booster to the nanostructured graphene related field amplification at the electron emission site. Superb robustness in the emission stability can be attributed to suppressed joule heating on

  1. Optimization of 3D conformal electron beam therapy in inhomogeneous media by concomitant fluence and energy modulation

    NASA Astrophysics Data System (ADS)

    Åsell, Mats; Hyödynmaa, Simo; Gustafsson, Anders; Brahme, Anders

    1997-11-01

    The possibilities of using simultaneous fluence and energy modulation techniques in electron beam therapy to shape the dose distribution and almost eliminate the influences of tissue inhomogeneities have been investigated. By using a radiobiologically based optimization algorithm the radiobiological properties of the tissues can be taken into account when trying to find the best possible dose delivery. First water phantoms with differently shaped surfaces were used to study the effect of surface irregularities. We also studied water phantoms with internal inhomogeneities consisting of air or cortical bone. It was possible to improve substantially the dose distribution by fluence modulation in these cases. In addition to the fluence modulation the most suitable single electron energy in each case was also determined. Finally, the simultaneous use of several preselected electron beam energies was also tested, each with an individually optimized fluence profile. One to six electron energies were used, resulting in a slow improvement in complication-free cure with increasing number of beam energies. To apply these techniques to a more clinically relevant situation a post-operative breast cancer patient was studied. For simplicity this patient was treated with only one anterior beam portal to clearly illustrate the effect of inhomogeneities like bone and lung on the dose distribution. It is shown that by using fluence modulation the influence of dose inhomogeneities can be significantly reduced. When two or more electron beam energies with individually optimized fluence profiles are used the dose conformality to the internal target volume is further increased, particularly for targets with complex shapes.

  2. Atomic-scale diffractive imaging of sub-cycle electron dynamics in condensed matter

    NASA Astrophysics Data System (ADS)

    Yakovlev, Vladislav S.; Stockman, Mark I.; Krausz, Ferenc; Baum, Peter

    2015-09-01

    For interaction of light with condensed-matter systems, we show with simulations that ultrafast electron and X-ray diffraction can provide a time-dependent record of charge-density maps with sub-cycle and atomic-scale resolutions. Using graphene as an example material, we predict that diffraction can reveal localised atomic-scale origins of optical and electronic phenomena. In particular, we point out nontrivial relations between microscopic electric current and density in undoped graphene.

  3. Atomic-scale diffractive imaging of sub-cycle electron dynamics in condensed matter

    PubMed Central

    Yakovlev, Vladislav S.; Stockman, Mark I.; Krausz, Ferenc; Baum, Peter

    2015-01-01

    For interaction of light with condensed-matter systems, we show with simulations that ultrafast electron and X-ray diffraction can provide a time-dependent record of charge-density maps with sub-cycle and atomic-scale resolutions. Using graphene as an example material, we predict that diffraction can reveal localised atomic-scale origins of optical and electronic phenomena. In particular, we point out nontrivial relations between microscopic electric current and density in undoped graphene. PMID:26412407

  4. Front-end electronics and data acquisition system for a multi-wire 3D gas tracker

    NASA Astrophysics Data System (ADS)

    Łojek, K.; Rozpȩdzik, D.; Bodek, K.; Perkowski, M.; Severijns, N.

    2015-12-01

    This paper presents the design and implementation of the front-end electronics and the data acquisition (DAQ) system for readout of multi-wire drift chambers (MWDC). Apart of the conventional drift time measurement the system delivers the hit position along the wire utilizing the charge division technique. The system consists of preamplifiers, and analog and digital boards sending data to a back-end computer via an Ethernet interface. The data logging software formats the received data and enables an easy access to the data analysis software. The use of specially designed preamplifiers and peak detectors allows the charge-division readout of the low resistance signal wire. The implication of the charge-division circuitry onto the drift time measurement was studied and the overall performance of the electronic system was evaluated in dedicated off-line tests.

  5. 3 D characterization of gold nanoparticles supported on heavy metal oxide catalysts by HAADF-STEM electron tomography.

    PubMed

    González, J C; Hernández, J C; López-Haro, M; del Río, E; Delgado, J J; Hungría, A B; Trasobares, S; Bernal, S; Midgley, P A; Calvino, José Juan

    2009-01-01

    Living on the edge: Three-dimensional reconstructions from electron tomography data recorded from Au/Ce(0.50)Tb(0.12)Zr(0.38)O(2-x) catalysts show that gold nanoparticles (see picture; yellow) are preferentially located on stepped facets and nanocrystal boundaries. An epitaxial relationship between the metal and support plays a key role in the structural stabilization of the gold nanoparticles. PMID:19544338

  6. Preconditioning techniques for constrained vector potential integral equations, with application to 3-D magnetoquasistatic analysis of electronic packages

    SciTech Connect

    Kamon, M.; Phillips, J.R.

    1994-12-31

    In this paper techniques are presented for preconditioning equations generated by discretizing constrained vector integral equations associated with magnetoquasistatic analysis. Standard preconditioning approaches often fail on these problems. The authors present a specialized preconditioning technique and prove convergence bounds independent of the constraint equations and electromagnetic excitation frequency. Computational results from analyzing several electronic packaging examples are given to demonstrate that the new preconditioning approach can sometimes reduce the number of GMRES iterations by more than an order of magnitude.

  7. 3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

    DOE PAGESBeta

    Wang, Zhenyu; Lin, Yu; Wang, Xueyi; Tummel, Kurt; Chen, Liu

    2016-07-07

    The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio mi/me. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic mi/me. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying mi/me, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

  8. 3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

    NASA Astrophysics Data System (ADS)

    Wang, Zhenyu; Lin, Yu; Wang, Xueyi; Tummel, Kurt; Chen, Liu

    2016-07-01

    The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio mi/me . In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic mi/me . The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location where k →.B → =0 , consistent with previous analytical and simulation studies. Here, B → is the equilibrium magnetic field and k → is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at k →.B → ≠0 . In addition, the simulation results indicate that varying mi/me , the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.

  9. A collaborative framework for 3D alignment and classification of heterogeneous subvolumes in cryo-electron tomography.

    PubMed

    Kuybeda, Oleg; Frank, Gabriel A; Bartesaghi, Alberto; Borgnia, Mario; Subramaniam, Sriram; Sapiro, Guillermo

    2013-02-01

    The limitation of using low electron doses in non-destructive cryo-electron tomography of biological specimens can be partially offset via averaging of aligned and structurally homogeneous subsets present in tomograms. This type of sub-volume averaging is especially challenging when multiple species are present. Here, we tackle the problem of conformational separation and alignment with a "collaborative" approach designed to reduce the effect of the "curse of dimensionality" encountered in standard pair-wise comparisons. Our new approach is based on using the nuclear norm as a collaborative similarity measure for alignment of sub-volumes, and by exploiting the presence of symmetry early in the processing. We provide a strict validation of this method by analyzing mixtures of intact simian immunodeficiency viruses SIV mac239 and SIV CP-MAC. Electron microscopic images of these two virus preparations are indistinguishable except for subtle differences in conformation of the envelope glycoproteins displayed on the surface of each virus particle. By using the nuclear norm-based, collaborative alignment method presented here, we demonstrate that the genetic identity of each virus particle present in the mixture can be assigned based solely on the structural information derived from single envelope glycoproteins displayed on the virus surface. PMID:23110852

  10. Electron diffraction using ultrafast electron bunches from a laser-wakefield accelerator at kHz repetition rate

    NASA Astrophysics Data System (ADS)

    He, Z.-H.; Thomas, A. G. R.; Beaurepaire, B.; Nees, J. A.; Hou, B.; Malka, V.; Krushelnick, K.; Faure, J.

    2013-02-01

    We show that electron bunches in the 50-100 keV range can be produced from a laser wakefield accelerator using 10 mJ, 35 fs laser pulses operating at 0.5 kHz. It is shown that using a solenoid magnetic lens, the electron bunch distribution can be shaped. The resulting transverse and longitudinal coherence is suitable for producing diffraction images from a polycrystalline 10 nm aluminum foil. The high repetition rate, the stability of the electron source, and the fact that its uncorrelated bunch duration is below 100 fs make this approach promising for the development of sub-100 fs ultrafast electron diffraction experiments.

  11. Toroidal mode number estimation of the edge-localized modes using the KSTAR 3-D electron cyclotron emission imaging system

    SciTech Connect

    Lee, J.; Yun, G. S. Lee, J. E.; Kim, M.; Choi, M. J.; Lee, W.; Park, H. K.; Domier, C. W.; Luhmann, N. C.; Sabbagh, S. A.; Park, Y. S.; Lee, S. G.; Bak, J. G.

    2014-06-15

    A new and more accurate technique is presented for determining the toroidal mode number n of edge-localized modes (ELMs) using two independent electron cyclotron emission imaging (ECEI) systems in the Korea Superconducting Tokamak Advanced Research (KSTAR) device. The technique involves the measurement of the poloidal spacing between adjacent ELM filaments, and of the pitch angle α{sub *} of filaments at the plasma outboard midplane. Equilibrium reconstruction verifies that α{sub *} is nearly constant and thus well-defined at the midplane edge. Estimates of n obtained using two ECEI systems agree well with n measured by the conventional technique employing an array of Mirnov coils.

  12. Toroidal mode number estimation of the edge-localized modes using the KSTAR 3-D electron cyclotron emission imaging system.

    PubMed

    Lee, J; Yun, G S; Lee, J E; Kim, M; Choi, M J; Lee, W; Park, H K; Domier, C W; Luhmann, N C; Sabbagh, S A; Park, Y S; Lee, S G; Bak, J G

    2014-06-01

    A new and more accurate technique is presented for determining the toroidal mode number n of edge-localized modes (ELMs) using two independent electron cyclotron emission imaging (ECEI) systems in the Korea Superconducting Tokamak Advanced Research (KSTAR) device. The technique involves the measurement of the poloidal spacing between adjacent ELM filaments, and of the pitch angle α* of filaments at the plasma outboard midplane. Equilibrium reconstruction verifies that α* is nearly constant and thus well-defined at the midplane edge. Estimates of n obtained using two ECEI systems agree well with n measured by the conventional technique employing an array of Mirnov coils. PMID:24985817

  13. Europeana and 3D

    NASA Astrophysics Data System (ADS)

    Pletinckx, D.

    2011-09-01

    The current 3D hype creates a lot of interest in 3D. People go to 3D movies, but are we ready to use 3D in our homes, in our offices, in our communication? Are we ready to deliver real 3D to a general public and use interactive 3D in a meaningful way to enjoy, learn, communicate? The CARARE project is realising this for the moment in the domain of monuments and archaeology, so that real 3D of archaeological sites and European monuments will be available to the general public by 2012. There are several aspects to this endeavour. First of all is the technical aspect of flawlessly delivering 3D content over all platforms and operating systems, without installing software. We have currently a working solution in PDF, but HTML5 will probably be the future. Secondly, there is still little knowledge on how to create 3D learning objects, 3D tourist information or 3D scholarly communication. We are still in a prototype phase when it comes to integrate 3D objects in physical or virtual museums. Nevertheless, Europeana has a tremendous potential as a multi-facetted virtual museum. Finally, 3D has a large potential to act as a hub of information, linking to related 2D imagery, texts, video, sound. We describe how to create such rich, explorable 3D objects that can be used intuitively by the generic Europeana user and what metadata is needed to support the semantic linking.

  14. Total-scattering pair-distribution function of organic material from powder electron diffraction data.

    PubMed

    Gorelik, Tatiana E; Schmidt, Martin U; Kolb, Ute; Billinge, Simon J L

    2015-04-01

    This paper shows that pair-distribution function (PDF) analyses can be carried out on organic and organometallic compounds from powder electron diffraction data. Different experimental setups are demonstrated, including selected area electron diffraction and nanodiffraction in transmission electron microscopy or nanodiffraction in scanning transmission electron microscopy modes. The methods were demonstrated on organometallic complexes (chlorinated and unchlorinated copper phthalocyanine) and on purely organic compounds (quinacridone). The PDF curves from powder electron diffraction data, called ePDF, are in good agreement with PDF curves determined from X-ray powder data demonstrating that the problems of obtaining kinematical scattering data and avoiding beam damage of the sample are possible to resolve. PMID:25510245

  15. Total-scattering pair-distribution function of organic material from powder electron diffraction data

    SciTech Connect

    Gorelik, Tatiana E.; Billinge, Simon J. L.; Schmidt, Martin U.; Kolb, Ute

    2015-04-01

    This paper shows for the first time that pair-distribution function analyses can be carried out on organic and organo-metallic compounds from powder electron diffraction data. Different experimental setups are demonstrated, including selected area electron diffraction (SAED) and nanodiffraction in transmission electron microscopy (TEM) or nanodiffraction in scanning transmission electron microscopy (STEM) modes. The methods were demonstrated on organo-metallic complexes (chlorinated and unchlorinated copper-phthalocyanine) and on purely organic compounds (quinacridone). The PDF curves from powder electron diffraction data, called ePDF, are in good agreement with PDF curves determined from X-ray powder data demonstrating that the problems of obtaining kinematical scattering data and avoiding beam-damage of the sample are possible to resolve.

  16. Total-scattering pair-distribution function of organic material from powder electron diffraction data

    DOE PAGESBeta

    Gorelik, Tatiana E.; Billinge, Simon J. L.; Schmidt, Martin U.; Kolb, Ute

    2015-04-01

    This paper shows for the first time that pair-distribution function analyses can be carried out on organic and organo-metallic compounds from powder electron diffraction data. Different experimental setups are demonstrated, including selected area electron diffraction (SAED) and nanodiffraction in transmission electron microscopy (TEM) or nanodiffraction in scanning transmission electron microscopy (STEM) modes. The methods were demonstrated on organo-metallic complexes (chlorinated and unchlorinated copper-phthalocyanine) and on purely organic compounds (quinacridone). The PDF curves from powder electron diffraction data, called ePDF, are in good agreement with PDF curves determined from X-ray powder data demonstrating that the problems of obtaining kinematical scattering datamore » and avoiding beam-damage of the sample are possible to resolve.« less

  17. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  18. mr-PosEBR: a novel positive tone resist for high resolution electron beam lithography and 3D surface patterning

    NASA Astrophysics Data System (ADS)

    Pfirrmann, Stefan; Kirchner, Robert; Lohse, Olga; Guzenko, Vitaliy A.; Voigt, Anja; Harder, Irina; Kolander, Anett; Schift, Helmut; Grützner, Gabi

    2016-03-01

    In this contribution, we present the results of a systematic material variation for the development of a resist material for high resolution positive tone electron beam lithography (EBL). Several acrylic copolymer materials with different compositions, that is varying mass fractions of the comonomers and different molecular weights, were synthesized and - as resist solutions - evaluated in terms of EBL performance at acceleration voltages of 30 kV and 100 kV. The resist material exhibiting the best combination of the desired properties, named mr-PosEBR, is two times more sensitive than PMMA 495k and performs comparably to the known high resolution resist ZEP520A at 30 kV. For example, a grating pattern with 29 nm wide lines with a period of 100 nm could be lithographically generated in films of mr-PosEBR with an area dose of 100 μC/cm2. In terms of resolution, single lines of only 35 nm width could be fabricated via metal liftoff. Furthermore, the dry etch stability of mr-PosEBR in a CF4/SF6 process is similar to the one of ZEP520A. Consequently, via dry etching nano patterns in mr-PosEBR could be smoothly transferred into the underlying Si substrate with high fidelity. Moreover, mr-PosEBR was evaluated as electron beam grayscale patterning and reflow resist. It was shown that the resist exhibits a good grayscale and reflow performance very similar to PMMA 120k and ZEP520A. Via these well controllable processes the generation of a wide variety of features and applications is possible.

  19. Electronic structure evolution of single bilayer Bi(1 1 1) film on 3D topological insulator Bi2Se x Te3-x surfaces.

    PubMed

    Lei, Tao; Jin, Kyung-Hwan; Zhang, Nian; Zhao, Jia-Li; Liu, Chen; Li, Wen-Jie; Wang, Jia-Ou; Wu, Rui; Qian, Hai-Jie; Liu, Feng; Ibrahim, Kurash

    2016-06-29

    The electronic state evolution of single bilayer (1BL) Bi(1 1 1) deposited on three-dimensional (3D) Bi2Se x Te3-x topological insulators at x  =  0, 1.26, 2, 2.46, 3 is systematically investigated by angle-resolved photoemission spectroscopy (ARPES). Our results indicate that the electronic structures of epitaxial Bi films are strongly influenced by the substrate especially the topmost sublayer near the Bi films, manifesting in two main aspects. First, the Se atoms cause a stronger charge transfer effect, which induces a giant Rashba-spin splitting, while the low electronegativity of Te atoms induces a strong hybridization at the interface. Second, the lattice strain notably modifies the band dispersion of the surface bands. Furthermore, our experimental results are elucidated by first-principles band structure calculations. PMID:27166645

  20. Electronic structure evolution of single bilayer Bi(1 1 1) film on 3D topological insulator Bi2Se x Te3‑x surfaces

    NASA Astrophysics Data System (ADS)

    Lei, Tao; Jin, Kyung-Hwan; Zhang, Nian; Zhao, Jia-Li; Liu, Chen; Li, Wen-Jie; Wang, Jia-Ou; Wu, Rui; Qian, Hai-Jie; Liu, Feng; Ibrahim, Kurash

    2016-06-01

    The electronic state evolution of single bilayer (1BL) Bi(1 1 1) deposited on three-dimensional (3D) Bi2Se x Te3‑x topological insulators at x  =  0, 1.26, 2, 2.46, 3 is systematically investigated by angle-resolved photoemission spectroscopy (ARPES). Our results indicate that the electronic structures of epitaxial Bi films are strongly influenced by the substrate especially the topmost sublayer near the Bi films, manifesting in two main aspects. First, the Se atoms cause a stronger charge transfer effect, which induces a giant Rashba-spin splitting, while the low electronegativity of Te atoms induces a strong hybridization at the interface. Second, the lattice strain notably modifies the band dispersion of the surface bands. Furthermore, our experimental results are elucidated by first-principles band structure calculations.

  1. Drawing the geometry of 3d transition metal-boron pairs in silicon from electron emission channeling experiments

    NASA Astrophysics Data System (ADS)

    Silva, D. J.; Wahl, U.; Correia, J. G.; Augustyns, V.; Lima, T. A. L.; Costa, A.; Bosne, E.; da Silva, M. R.; Araújo, J. P.; Pereira, L. M. C.

    2016-03-01

    Although the formation of transition metal-boron pairs is currently well established in silicon processing, the geometry of these complexes is still not completely understood. We investigated the lattice location of the transition metals manganese, iron, cobalt and nickel in n- and p+ -type silicon by means of electron emission channeling. For manganese, iron and cobalt, we observed an increase of sites near the ideal tetrahedral interstitial position by changing the doping from n- to p+ -type Si. Such increase was not observed for Ni. We ascribe this increase to the formation of pairs with boron, driven by Coulomb interactions, since the majority of iron, manganese and cobalt is positively charged in p+ -type silicon while Ni is neutral. We propose that breathing mode relaxation around the boron ion within the pair causes the observed displacement from the ideal tetrahedral interstitial site. We discuss the application of the emission channeling technique in this system and, in particular, how it provides insight on the geometry of such pairs.

  2. Space Electron Density Gradient Studies using a 3D Embedded Reconfigurable Sounder and ESA/NASA CLUSTER Mission

    NASA Astrophysics Data System (ADS)

    Dekoulis, George

    2016-07-01

    This paper provides a direct comparison between data captured by a new embedded reconfigurable digital sounder, different ground-based ionospheric sounders spread around Europe and the ESA/NASA CLUSTER mission. The CLUSTER mission consists of four identical space probes flying in a formation that allows measurements of the electron density gradient in the local magnetic field. Both the ground-based and the spacecraft instrumentations assist in studying the motion, geometry and boundaries of the plasmasphere. The comparison results are in accordance to each other. Some slight deviations among the captured data were expected from the beginning of this investigation. These small discrepancies are reasonable and seriatim analyzed. The results of this research are significant, since the level of the plasma's ionization, which is related to the solar activity, dominates the propagation of electromagnetic waves through it. Similarly, unusually high solar activity presents serious hazards to orbiting satellites, spaceborne instrumentation, satellite communications and infrastructure located on the Earth's surface. Long-term collaborative study of the data is required to continue, in order to identify and determine the enhanced risk in advance. This would allow scientists to propose an immediate cure.

  3. 3d electron transitions in Co- and Ni-doped MgSO3·6H2O

    NASA Astrophysics Data System (ADS)

    Petkova, P.; Bunzarov, Zh; Iliev, I.; Dimov, T.; Tzoukrovsky, Y.

    2012-05-01

    Absorption spectra of magnesium sulfite hexahydrate (MgSO3·6H2O), doped with Co and Ni, have been studied in the spectral region 1.46-3.1 eV. Investigations have been carried out with linear polarized light E||c, E⊥c (c is the optical axis of MgSO3·6H2O) that propagates in the (1210) direction. The Co structure manifests in the spectral region 2.06-3.1 eV and the Ni structures manifest in the spectral region 1.46-2.26 eV. The peculiarities of the Jahn-Teller effect and spin-orbit interaction with respect to the impurity ions in the crystal lattice of MgSO3·6H2O are analyzed and discussed. The electron transitions in Co2+ and Ni2+ ions are determined for E||c, E⊥c. The crystal field parameter Dq and Racah parameters B and C are also calculated.

  4. Electron energy-loss near-edge structures of 3d transition metal oxides recorded at high-energy resolution.

    PubMed

    Mitterbauer, C; Kothleitner, G; Grogger, W; Zandbergen, H; Freitag, B; Tiemeijer, P; Hofer, F

    2003-09-01

    Near-edge fine structures of the metal L(2,3) and O K-edges in transition metal-oxides have been studied with a transmission electron microscope equipped with a monochromator and a high-resolution imaging filter. This system enables the recording of EELS spectra with an energy resolution of 0.1eV thus providing new near-edge fine structure details which could not be observed previously by EELS in conventional TEM instruments. EELS-spectra from well-defined oxides like titanium oxide (TiO(2)), vanadium oxide (V(2)O(5)), chromium oxide (Cr(2)O(3)), iron oxide (Fe(2)O(3)), cobalt oxide (CoO) and nickel oxide (NiO) have been measured with the new system. These spectra are compared with EELS data obtained from a conventional microscope and the main spectral features are interpreted. Additionally, the use of monochromised TEMs is discussed in view of the natural line widths of K and L(2,3) edges. PMID:12871809

  5. Feynman Path Integral Approach to Electron Diffraction for One and Two Slits: Analytical Results

    ERIC Educational Resources Information Center

    Beau, Mathieu

    2012-01-01

    In this paper we present an analytic solution of the famous problem of diffraction and interference of electrons through one and two slits (for simplicity, only the one-dimensional case is considered). In addition to exact formulae, various approximations of the electron distribution are shown which facilitate the interpretation of the results.…

  6. Generation of High-Density Electrons Based on Plasma Grating Induced Bragg Diffraction in Air

    SciTech Connect

    Shi Liping; Li Wenxue; Wang Yongdong; Lu Xin; Ding Liang'en; Zeng Heping

    2011-08-26

    Efficient nonlinear Bragg diffraction was observed as an intense infrared femtosecond pulse was focused on a plasma grating induced by interference between two ultraviolet femtosecond laser pulses in air. The preformed electrons inside the plasma grating were accelerated by subsequent intense infrared laser pulses, inducing further collisional ionization and significantly enhancing the local electron density.

  7. Ultrafast electron microscopy and diffraction with laser-driven field emitters

    NASA Astrophysics Data System (ADS)

    Ropers, Claus

    2015-03-01

    Ultrafast structural dynamics in solids and nanostructures can be investigated by an increasing number of sophisticated electron and x-ray diffraction techniques. Electrons are particularly suited for this purpose, exhibiting high scattering cross-sections and allowing for beam control by versatile electrostatic or magnetic lens systems. The capabilities of time-resolved electron imaging techniques critically depend on the employed source of laser-driven ultrashort electron pulses. Nanoscopic sources offer exceptional possibilities for the generation of electron probe pulses with very short durations and high spatial beam coherence. In this talk, I will discuss recent progress in the development of ultrafast electron microscopy and diffraction based on nanoscopic photocathodes. In particular, we implemented ultrafast low-energy electron diffraction (ULEED) and ultrafast transmission electron microscopy (UTEM) driven by nonlinear photoemission from field emission tips. ULEED enables the study of structural changes with high temporal resolution and ultimate surface sensitivity, at sub-keV electron energies. As a first application of this technique, we studied the structural phase transition in a stripe-like polymer superstructure on freestanding monolayer graphene. An advanced UTEM instrument was realized by custom modifications of a standard transmission electron microscope, leading to electron focal spot sizes in the microscope's sample plane of about 10 nm and electron pulse durations of less than 700 fs. Utilizing these features, we investigate the quantum-coherent interaction between the ultrashort electron pulse and the optical near-field of an illuminated nanostructure. Finally, further applications and prospects of ultrafast electron imaging, diffraction and spectroscopy using nanoscale field emitters will be discussed.

  8. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITH TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    Apollo's 3-dimensional graphics hardware, but does not take advantage of the shading and hidden line/surface removal capabilities of the Apollo DN10000. Although this implementation does not offer a capability for putting text on plots, it does support the use of a mouse to translate, rotate, or zoom in on views. The version 3.6b+ Apollo implementations of PLOT3D (ARC-12789) and PLOT3D/TURB3D (ARC-12785) were developed for use on Apollo computers running UNIX System V with BSD 4.3 extensions and the graphics library GMR3D Version 2.0. The standard distribution media for each of these programs is a 9-track, 6250 bpi magnetic tape in TAR format. Customers purchasing one implementation version of PLOT3D or PLOT3D/TURB3D will be given a $200 discount on each additional implementation version ordered at the same time. Version 3.6b+ of PLOT3D and PLOT3D/TURB3D are also supported for the following computers and graphics libraries: 1) generic UNIX Supercomputer and IRIS, suitable for CRAY 2/UNICOS, CONVEX, and Alliant with remote IRIS 2xxx/3xxx or IRIS 4D (ARC-12779, ARC-12784); 2) VAX computers running VMS Version 5.0 and DISSPLA Version 11.0 (ARC-12777, ARC-12781); 3) generic UNIX and DISSPLA Version 11.0 (ARC-12788, ARC-12778); and (4) Silicon Graphics IRIS 2xxx/3xxx or IRIS 4D workstations (ARC-12783, ARC-12782). Silicon Graphics Iris, IRIS 4D, and IRIS 2xxx/3xxx are trademarks of Silicon Graphics Incorporated. VAX and VMS are trademarks of Digital Electronics Corporation. DISSPLA is a trademark of Computer Associates. CRAY 2 and UNICOS are trademarks of CRAY Research, Incorporated. CONVEX is a trademark of Convex Computer Corporation. Alliant is a trademark of Alliant. Apollo and GMR3D are trademarks of Hewlett-Packard, Incorporated. UNIX is a registered trademark of AT&T.

  9. PLOT3D/AMES, APOLLO UNIX VERSION USING GMR3D (WITHOUT TURB3D)

    NASA Technical Reports Server (NTRS)

    Buning, P.

    1994-01-01

    Apollo's 3-dimensional graphics hardware, but does not take advantage of the shading and hidden line/surface removal capabilities of the Apollo DN10000. Although this implementation does not offer a capability for putting text on plots, it does support the use of a mouse to translate, rotate, or zoom in on views. The version 3.6b+ Apollo implementations of PLOT3D (ARC-12789) and PLOT3D/TURB3D (ARC-12785) were developed for use on Apollo computers running UNIX System V with BSD 4.3 extensions and the graphics library GMR3D Version 2.0. The standard distribution media for each of these programs is a 9-track, 6250 bpi magnetic tape in TAR format. Customers purchasing one implementation version of PLOT3D or PLOT3D/TURB3D will be given a $200 discount on each additional implementation version ordered at the same time. Version 3.6b+ of PLOT3D and PLOT3D/TURB3D are also supported for the following computers and graphics libraries: 1) generic UNIX Supercomputer and IRIS, suitable for CRAY 2/UNICOS, CONVEX, and Alliant with remote IRIS 2xxx/3xxx or IRIS 4D (ARC-12779, ARC-12784); 2) VAX computers running VMS Version 5.0 and DISSPLA Version 11.0 (ARC-12777, ARC-12781); 3) generic UNIX and DISSPLA Version 11.0 (ARC-12788, ARC-12778); and (4) Silicon Graphics IRIS 2xxx/3xxx or IRIS 4D workstations (ARC-12783, ARC-12782). Silicon Graphics Iris, IRIS 4D, and IRIS 2xxx/3xxx are trademarks of Silicon Graphics Incorporated. VAX and VMS are trademarks of Digital Electronics Corporation. DISSPLA is a trademark of Computer Associates. CRAY 2 and UNICOS are trademarks of CRAY Research, Incorporated. CONVEX is a trademark of Convex Computer Corporation. Alliant is a trademark of Alliant. Apollo and GMR3D are trademarks of Hewlett-Packard, Incorporated. UNIX is a registered trademark of AT&T.

  10. 3d-3d correspondence revisited

    NASA Astrophysics Data System (ADS)

    Chung, Hee-Joong; Dimofte, Tudor; Gukov, Sergei; Sułkowski, Piotr

    2016-04-01

    In fivebrane compactifications on 3-manifolds, we point out the importance of all flat connections in the proper definition of the effective 3d {N}=2 theory. The Lagrangians of some theories with the desired properties can be constructed with the help of homological knot invariants that categorify colored Jones polynomials. Higgsing the full 3d theories constructed this way recovers theories found previously by Dimofte-Gaiotto-Gukov. We also consider the cutting and gluing of 3-manifolds along smooth boundaries and the role played by all flat connections in this operation.

  11. Diffraction using laser-driven broadband electron wave packets

    NASA Astrophysics Data System (ADS)

    Xu, Junliang; Blaga, Cosmin I.; Zhang, Kaikai; Lai, Yu Hang; Lin, C. D.; Miller, Terry A.; Agostini, Pierre; Dimauro, Louis F.

    2014-08-01

    Directly monitoring atomic motion during a molecular transformation with atomic-scale spatio-temporal resolution is a frontier of ultrafast optical science and physical chemistry. Here we provide the foundation for a new imaging method, fixed-angle broadband laser-induced electron scattering, based on structural retrieval by direct one-dimensional Fourier transform of a photoelectron energy distribution observed along the polarization direction of an intense ultrafast light pulse. The approach exploits the scattering of a broadband wave packet created by strong-field tunnel ionization to self-interrogate the molecular structure with picometre spatial resolution and bond specificity. With its inherent femtosecond resolution, combining our technique with molecular alignment can, in principle, provide the basis for time-resolved tomography for multi-dimensional transient structural determination.

  12. Diffraction using laser-driven broadband electron wave packets

    NASA Astrophysics Data System (ADS)

    Xu, Junliang; Blaga, Cosmin I.; Zhang, Kaikai; Lai, Yu Hang; Lin, C. D.; Miller, Terry A.; Agostini, Pierre; Dimauro, Louis F.

    2015-05-01

    Directly monitoring atomic motion during a molecular transformation with atomic-scale spatio-temporal resolution is a frontier of ultrafast optical science and physical chemistry. Here we provide the foundation for a new imaging method, fixed-angle broadband laser-induced electron scattering, based on structural retrieval by direct one-dimensional Fourier transform of a photoelectron energy distribution observed along the polarization direction of an intense ultrafast light pulse. The approach exploits the scattering of a broadband wave packet created by strong-field tunnel ionization to self-interrogate the molecular structure with picometer spatial resolution and bond specificity. With its inherent femtosecond resolution, combining our technique with molecular alignment can, in principle, provide the basis for time-resolved tomography for multi-dimensional transient structural determination.

  13. NeuroMorph: a toolset for the morphometric analysis and visualization of 3D models derived from electron microscopy image stacks.

    PubMed

    Jorstad, Anne; Nigro, Biagio; Cali, Corrado; Wawrzyniak, Marta; Fua, Pascal; Knott, Graham

    2015-01-01

    Serialelectron microscopy imaging is crucial for exploring the structure of cells and tissues. The development of block face scanning electron microscopy methods and their ability to capture large image stacks, some with near isotropic voxels, is proving particularly useful for the exploration of brain tissue. This has led to the creation of numerous algorithms and software for segmenting out different features from the image stacks. However, there are few tools available to view these results and make detailed morphometric analyses on all, or part, of these 3D models. We have addressed this issue by constructing a collection of software tools, called NeuroMorph, with which users can view the segmentation results, in conjunction with the original image stack, manipulate these objects in 3D, and make measurements of any region. This approach to collecting morphometric data provides a faster means of analysing the geometry of structures, such as dendritic spines and axonal boutons. This bridges the gap that currently exists between rapid reconstruction techniques, offered by computer vision research, and the need to collect measurements of shape and form from segmented structures that is currently done using manual segmentation methods. PMID:25240318

  14. Novel freestanding nanotube devices for combining TEM and electron diffraction with Raman and Transport

    SciTech Connect

    Meyer, Jannik C.; Obergfell, Dirk; Roth, Siegmar; Paillet, Matthieu; Sauvajol, Jean-Louis; Neumann, Anita; Duesberg, Georg

    2005-09-27

    A versatile procedure for combining high-resolution transmission electron microscopy (TEM) and electron diffraction with Raman spectroscopy and transport measurements on the very same nanotube is presented. For this we prepare free-standing structures on the corner of a substrate by electron beam lithography and an etching process. Further, this procedure makes possible a TEM quality control of nanotubes grown directly on the substrate.

  15. In vivo measurement of arterial and venous oxygenation in the rat using 3D spectral-spatial electron paramagnetic resonance imaging.

    PubMed

    Kuppusamy, P; Shankar, R A; Zweier, J L

    1998-07-01

    Electron paramagnetic resonance imaging (EPRI) instrumentation, enabling the performance of three-dimensional spectral-spatial images of free radicals, has been developed to study spatially defined differences in tissue metabolism and oxygenation. Using this instrumentation 3D images of nitroxides in rat tail were obtained. The images visualize the arterial and venous vasculature in the tail segment. Based on the exchange broadening influence of oxygen on the EPR linewidth of nitroxides, we performed localized oxygen measurements in the in vivo rat. An oxygen concentration of 300+/-30 microM was measured in the arteries and 50+/-20 microM in the veins. These results demonstrate the feasibility of performing in vivo, non-invasive measurements and mapping of localized oxygenation in small animals using spectral-spatial EPR imaging techniques. PMID:9703045

  16. An incommensurately modulated structure of η'-phase of Cu(3+x)Si determined by quantitative electron diffraction tomography.

    PubMed

    Palatinus, Lukáš; Klementová, Mariana; Dřínek, Vladislav; Jarošová, Markéta; Petříček, Václav

    2011-04-18

    The diffraction data of η'-Cu(3+x)(Si,Ge) were collected by 3D quantitative electron diffraction tomography on a submicrometer-sized sample, and the structure was solved by the charge-flipping algorithm in superspace. It is shown that the structure is trigonal, and it is incommensurately modulated with two modulation vectors q(1) = (α, α, 1/3) and q(2) = (-2α, α, 1/3), superspace group P31m(α, α, 1/3)000(-2α, α, 1/3)000. The modulation functions of some atoms are very complicated and reach amplitudes comparable with the unit cell dimensions. The modulated structure can be described as sheets of Cu clusters separated by honeycomb layers of mixed Si/Ge positions. The shape of the Cu clusters in the sheets strongly varies with the modulation phase, and the predominant form is an icosahedron. The striving of the Cu layers to form icosahedral clusters is deemed to be the main driving force of the modulation. The combination of methods used in this work can be applied to other structures that are difficult to crystallize in large crystals and opens new perspectives, especially for investigations of aperiodic or otherwise complex metallic alloys. PMID:21438499

  17. 3D and Education

    NASA Astrophysics Data System (ADS)

    Meulien Ohlmann, Odile

    2013-02-01

    Today the industry offers a chain of 3D products. Learning to "read" and to "create in 3D" becomes an issue of education of primary importance. 25 years professional experience in France, the United States and Germany, Odile Meulien set up a personal method of initiation to 3D creation that entails the spatial/temporal experience of the holographic visual. She will present some different tools and techniques used for this learning, their advantages and disadvantages, programs and issues of educational policies, constraints and expectations related to the development of new techniques for 3D imaging. Although the creation of display holograms is very much reduced compared to the creation of the 90ies, the holographic concept is spreading in all scientific, social, and artistic activities of our present time. She will also raise many questions: What means 3D? Is it communication? Is it perception? How the seeing and none seeing is interferes? What else has to be taken in consideration to communicate in 3D? How to handle the non visible relations of moving objects with subjects? Does this transform our model of exchange with others? What kind of interaction this has with our everyday life? Then come more practical questions: How to learn creating 3D visualization, to learn 3D grammar, 3D language, 3D thinking? What for? At what level? In which matter? for whom?

  18. Transmission Kikuchi diffraction and transmission electron forescatter imaging of electropolished and FIB manufactured TEM specimens

    SciTech Connect

    Zieliński, W. Płociński, T.; Kurzydłowski, K.J.

    2015-06-15

    We present a study of the efficiency of the utility of scanning electron microscope (SEM)-based transmission methods for characterizing grain structure in thinned bulk metals. Foils of type 316 stainless steel were prepared by two methods commonly used for transmission electron microscopy — double-jet electropolishing and focused ion beam milling. A customized holder allowed positioning of the foils in a configuration appropriate for both transmission electron forward scatter diffraction, and for transmission imaging by the use of a forescatter detector with two diodes. We found that both crystallographic orientation maps and dark-field transmitted images could be obtained for specimens prepared by either method. However, for both methods, preparation-induced artifacts may affect the quality or accuracy of transmission SEM data, especially those acquired by the use of transmission Kikuchi diffraction. Generally, the quality of orientation data was better for specimens prepared by electropolishing, due to the absence of ion-induced damage. - Highlights: • The transmission imaging and diffraction techniques are emerging in scanning electron microscopy (SEM) as promising new field of materials characterization. • The manuscript titled: “Transmission Kikuchi Diffraction and Transmission Electron Forescatter Imaging of Electropolished and FIB Manufactured TEM Specimens” documents how different specimen thinning procedures can effect efficiency of transmission Kikuchi diffraction and transmission electron forescatter imaging. • The abilities to make precision crystallographic orientation maps and dark-field images in transmission was studied on electropolished versus focus ion beam manufactured TEM specimens. • Depending on the need, electropolished and focused ion beam technique may produce suitable specimens for transmission imaging and diffraction in SEM.

  19. First-principles calculations of the electronic structure and magnetic properties of 3d transition-metal impurities in bcc and amorphous iron

    NASA Astrophysics Data System (ADS)

    Kontsevoi, O. Yu.; Gubanov, V. A.

    1995-06-01

    We present the results of the first-principles calculations of electronic structure, magnetic moments, and effective-exchange-interaction parameters for 3d impurities in ferromagnetic bcc and amorphous iron as obtained by the self-consistent tight-binding linear-muffin-tin-orbital recursion method. Impurities in bcc Fe have been modeled both in the single-site approximation and taking into account up to four shells of the nearest-to-the-impurity neighbors. The results for crystalline iron agree well with the previous more precise Korringa-Kohn-Rostoker Green's function calculations [Phys. Rev. B 40, 8203 (1989)], and confirm the sufficient accuracy of the method developed. The perturbations of electronic states for Fe atoms in different coordinational shells around impurity are considered. Peculiarities of impurity electronic states in amorphous Fe and their influence on magnetic behavior of the system are discussed. The role of impurities in possible stabilization of ferromagnetic ordering in amorphous Fe is investigated in terms of effective-exchange-interaction parameters calculated for the nearest-to-impurity host atoms.

  20. Imaging of alignment and structural changes of carbon disulfide molecules using ultrafast electron diffraction.

    PubMed

    Yang, Jie; Beck, Joshua; Uiterwaal, Cornelis J; Centurion, Martin

    2015-01-01

    Imaging the structure of molecules in transient-excited states remains a challenge due to the extreme requirements for spatial and temporal resolution. Ultrafast electron diffraction from aligned molecules provides atomic resolution and allows for the retrieval of structural information without the need to rely on theoretical models. Here we use ultrafast electron diffraction from aligned molecules and femtosecond laser mass spectrometry to investigate the dynamics in carbon disulfide following the interaction with an intense femtosecond laser pulse. We observe that the degree of alignment reaches an upper limit at laser intensities below the ionization threshold, and find evidence of structural deformation, dissociation and ionization at higher laser intensities. PMID:26337631

  1. The molecular structure of barium dibromide: an electron diffraction and quantum chemical study

    NASA Astrophysics Data System (ADS)

    Hargittai, Magdolna; Kolonits, Mária; Schultz, György

    2001-06-01

    The molecular structure of barium dibromide was determined by gas-phase electron diffraction, ab initio quantum chemical calculations, and joint electron diffraction/vibratonal spectroscopic analyses. All techniques yield consistently an unambiguously bent geometry. The following geometrical parameters were obtained: rg(Ba-Br) 2.911±0.006 Å, re(Ba-Br) 2.899±0.007 Å, ∠ aBr-Ba-Br 137.0±2.5° and ∠ eBr-Ba-Br 137.1±4.9°.

  2. Complete analysis of a transmission electron diffraction pattern of a MoS2-graphite heterostructure.

    PubMed

    Adrian, Marlene; Senftleben, Arne; Morgenstern, Silvio; Baumert, Thomas

    2016-07-01

    The combination of various 2D layered materials in multilayer heterostructures arises great interest in the current science. Due to the large variety of electronic properties of the group of 2D layered materials the combination opens a new pathway towards ultrasmall electronic devices. In this contribution we present a full mathematical description of multilayer heterostructure samples and their diffraction patterns including a proposal of a consistent assignment of the superstructure diffraction spots. A 27nm thick MoS2-graphite heterostructure was produced and fully analysed with the methods presented in this paper. PMID:27107328

  3. Imaging single electrons to enable the generation of ultrashort beams for single-shot femtosecond relativistic electron diffraction

    SciTech Connect

    Li, R. K.; Musumeci, P.; Bender, H. A.; Wilcox, N. S.; Wu, M.

    2011-10-01

    The generation and control of relativistic electron beams well suited for ultrafast electron diffraction application has rapidly advanced, greatly benefiting from the overlap in techniques and expertise with the accelerator community. However, imaging the diffracted MeV electrons with high detection efficiency has remained an under-explored area. In this paper, we report on a quantitative study of the imaging of MeV electrons using a detection system consisting of a phosphor screen, a lens-coupling optics, and a charge-coupled device camera. It is shown that every MeV electron in the beam yields a signal well above the camera noise. With this detection efficiency, only {approx}10{sup 5} electrons per pulse are needed to obtain a high quality single-shot diffraction pattern from a crystalline sample. We measured that such a low charge beam can be as short as 30 fs rms. Further, we discuss the possibility of compressing these electron beams to sub-5 fs rms bunch length by velocity bunching using a short high gradient rf accelerating structure scheduled to be installed next year at the UCLA Pegasus Laboratory. This opens the possibility of single-shot determinations of structural changes in many ultrafast physical processes like nonequilibrium phonon dynamics or relaxation pathways in systems with strong electron-phonon coupling.

  4. Effect of site preference of 3d atoms on the electronic structure and half-metallicity of Heusler alloy Mn2YAl

    NASA Astrophysics Data System (ADS)

    Luo, Hongzhi; Zhu, Zhiyong; Ma, Li; Xu, Shifeng; Zhu, Xiaoxi; Jiang, Chengbao; Xu, Huibin; Wu, Guangheng

    2008-03-01

    The site preference of 3d atoms Y in Mn2YAl (Y = V, Fe, Co) alloys and its influence on their electronic structures and magnetism have been studied by first-principles calculations. The results prove that elements with more valence electrons than Mn tend to enter the A (0, 0, 0) and C (½, ½, ½) sites and elements with fewer electrons prefer the B (¼, ¼, ¼) site (Wyckoff positions). Meanwhile, it is found that for Mn2VAl and Mn2FeAl, a high spin polarization can be obtained whether the Y atom enters the (A, C) or the B site. In particular, Mn2VAl is half-metallic whether it forms the Cu2MnAl type or the Hg2CuTi type of structure. And a 100% spin polarization can be retained even when a 25% Mn-V antisite disorder occurs. This is quite preferable in practical applications. It is also found that the higher-valent element such as Co at the B (¼, ¼, ¼) site has opposite effects and tends to close the energy gap. Finally, a systemic summarization on the electronic and magnetic properties of Mn2YAl (Y = Ti, V, Cr, Mn, Fe and Co) alloys was made. All of them except for Mn2TiAl are predicted as half-metals. The calculated total spin moment is an integral value and increases from -3µB/f.u. for Mn2TiAl to +2µB/f.u. for Mn2CoAl with increasing number of valence electrons. This agrees with the Slater-Pauling curve quite well. All the Mn2YAl alloys studied here are ferrimagnets.

  5. Transient electron density maps of ionic materials from femtosecond x-ray powder diffraction

    NASA Astrophysics Data System (ADS)

    Elsaesser, Thomas

    2014-05-01

    X-ray diffraction represents a key method for spatially resolving electron distributions in crystalline materials. So far, electron density maps have been derived from stationary diffraction patterns, providing detailed insight into the equilibrium charge distribution and crystal geometry. Functional processes in condensed matter are frequently connected with nonequilibrium excitations resulting in atomic motions and charge relocations on ultrashort time scales. Transient structures are resolved in space and time by novel x-ray diffraction methods with a femtosecond time resolution, giving access to the driving mechanisms and underlying interactions. In this talk, new results are presented on transient electron distributions of ionic materials mapped with the help of femtosecond x-ray powder diffraction. Experiments are based on a pump-probe approach in which an optical pulse initiates structural dynamics and a hard x-ray pulse from a synchronized laser-driven plasma source is diffracted from the excited powder sample. Such measurements reveal the interplay of lattice and charge motions in the photoexcited prototype material KDP (KH2PO4) which occur on distinctly different length scales. As a second topic, electron relocations induced by strong external optical fields will be discussed. This interaction mechanism allows for generating coherent superpositions of valence and conduction band quantum states and inducing fully reversible charge dynamics. While the materials LiBH4 and NaBH4 display electron relocations from the (BH4)- ions to the neighboring Li+ and Na+ ions, LiH exhibits an electron transfer from Li to H. The latter is a manifestation of electron correlations and in agreement with theoretical calculations.

  6. Structural characterization of titania by X-ray diffraction, photoacoustic, Raman spectroscopy and electron paramagnetic resonance spectroscopy.

    PubMed

    Kadam, R M; Rajeswari, B; Sengupta, Arijit; Achary, S N; Kshirsagar, R J; Natarajan, V

    2015-02-25

    A titania mineral (obtained from East coast, Orissa, India) was investigated by X-ray diffraction (XRD), photoacoustic spectroscopy (PAS), Raman and Electron Paramagnetic Resonance (EPR) studies. XRD studies indicated the presence of rutile (91%) and anatase (9%) phases in the mineral. Raman investigation supported this information. Both rutile and anatase phases have tetragonal structure (rutile: space group P4(2)/mnm, a=4.5946(1) Å, c=2.9597(1) Å, V=62.48(1) (Å)(3), Z=2; anatase: space group I4(1)/amd, 3.7848(2) Å, 9.5098(11) Å, V=136.22(2) (Å)(3), Z=4). The deconvoluted PAS spectrum showed nine peaks around 335, 370, 415,485, 555, 605, 659, 690,730 and 785 nm and according to the ligand field theory, these peaks were attributed to the presence of V(4+), Cr(3+), Mn(4+) and Fe(3+) species. EPR studies revealed the presence of transition metal ions V(4+)(d(1)), Cr(3+)(d(3)), Mn(4+)(d(3)) and Fe(3+)(d(5)) at Ti(4+) sites. The EPR spectra are characterized by very large crystal filed splitting (D term) and orthorhombic distortion term (E term) for multiple electron system (s>1) suggesting that the transition metal ions substitute the Ti(4+) in the lattice which is situated in distorted octahedral coordination of oxygen. The possible reasons for observation of unusually large D and E term in the EPR spectra of transition metal ions (S=3/2 and 5/2) are discussed. PMID:25233027

  7. Structural characterization of titania by X-ray diffraction, photoacoustic, Raman spectroscopy and electron paramagnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Kadam, R. M.; Rajeswari, B.; Sengupta, Arijit; Achary, S. N.; Kshirsagar, R. J.; Natarajan, V.

    2015-02-01

    A titania mineral (obtained from East coast, Orissa, India) was investigated by X-ray diffraction (XRD), photoacoustic spectroscopy (PAS), Raman and Electron Paramagnetic Resonance (EPR) studies. XRD studies indicated the presence of rutile (91%) and anatase (9%) phases in the mineral. Raman investigation supported this information. Both rutile and anatase phases have tetragonal structure (rutile: space group P42/mnm, a = 4.5946(1) Å, c = 2.9597(1) Å, V = 62.48(1) (Å)3, Z = 2; anatase: space group I41/amd, 3.7848(2) Å, 9.5098(11) Å, V = 136.22(2) (Å)3, Z = 4). The deconvoluted PAS spectrum showed nine peaks around 335, 370, 415,485, 555, 605, 659, 690,730 and 785 nm and according to the ligand field theory, these peaks were attributed to the presence of V4+, Cr3+, Mn4+ and Fe3+ species. EPR studies revealed the presence of transition metal ions V4+(d1), Cr3+(d3), Mn4+(d3) and Fe3+(d5) at Ti4+ sites. The EPR spectra are characterized by very large crystal filed splitting (D term) and orthorhombic distortion term (E term) for multiple electron system (s > 1) suggesting that the transition metal ions substitute the Ti4+ in the lattice which is situated in distorted octahedral coordination of oxygen. The possible reasons for observation of unusually large D and E term in the EPR spectra of transition metal ions (S = 3/2 and 5/2) are discussed.

  8. Probing local order in glasses from limited-volume electron and x-ray diffraction

    NASA Astrophysics Data System (ADS)

    Liu, A. C. Y.; Tabor, R. F.; Bourgeois, L.; de Jonge, M. D.; Mudie, S. T.; Petersen, T. C.

    2016-05-01

    It has long been recognised that spatial fluctuations in local order in disordered assemblies of particles can be probed using limited-volume diffraction measurements. These measurements have unique advantages over broad-beam diffraction experiments that isotropically average over many structural configurations and result in one-dimensional intensity curves, requiring modelling to interpret. Despite the advantages of limiting illumination to a low number of particle configurations, obtaining quantitative measurements of local order from such experiments remains a challenge. The effects on the diffraction pattern of changing the beam energy, lateral size, aberrations and coherence and the specimen thickness have only recently been clarified. We review theoretical and experimental efforts in this direction in the fields of both electron and x-ray diffraction and identify promising areas of future development.

  9. Electron Tomography of Cryo-Immobilized Plant Tissue: A Novel Approach to Studying 3D Macromolecular Architecture of Mature Plant Cell Walls In Situ

    PubMed Central

    Sarkar, Purbasha; Bosneaga, Elena; Yap, Edgar G.; Das, Jyotirmoy; Tsai, Wen-Ting; Cabal, Angelo; Neuhaus, Erica; Maji, Dolonchampa; Kumar, Shailabh; Joo, Michael; Yakovlev, Sergey; Csencsits, Roseann; Yu, Zeyun; Bajaj, Chandrajit; Downing, Kenneth H.; Auer, Manfred

    2014-01-01

    Cost-effective production of lignocellulosic biofuel requires efficient breakdown of cell walls present in plant biomass to retrieve the wall polysaccharides for fermentation. In-depth knowledge of plant cell wall composition is therefore essential for improving the fuel production process. The precise spatial three-dimensional (3D) organization of cellulose, hemicellulose, pectin and lignin within plant cell walls remains unclear to date since the microscopy techniques used so far have been limited to two-dimensional, topographic or low-resolution imaging, or required isolation or chemical extraction of the cell walls. In this paper we demonstrate that by cryo-immobilizing fresh tissue, then either cryo-sectioning or freeze-substituting and resin embedding, followed by cryo- or room temperature (RT) electron tomography, respectively, we can visualize previously unseen details of plant cell wall architecture in 3D, at macromolecular resolution (∼2 nm), and in near-native state. Qualitative and quantitative analyses showed that wall organization of cryo-immobilized samples were preserved remarkably better than conventionally prepared samples that suffer substantial extraction. Lignin-less primary cell walls were well preserved in both self-pressurized rapidly frozen (SPRF), cryo-sectioned samples as well as high-pressure frozen, freeze-substituted and resin embedded (HPF-FS-resin) samples. Lignin-rich secondary cell walls appeared featureless in HPF-FS-resin sections presumably due to poor stain penetration, but their macromolecular features could be visualized in unprecedented details in our cryo-sections. While cryo-tomography of vitreous tissue sections is currently proving to be instrumental in developing 3D models of lignin-rich secondary cell walls, here we confirm that the technically easier method of RT-tomography of HPF-FS-resin sections could be used immediately for routine study of low-lignin cell walls. As a proof of principle, we characterized the

  10. Electron tomography of cryo-immobilized plant tissue: a novel approach to studying 3D macromolecular architecture of mature plant cell walls in situ.

    PubMed

    Sarkar, Purbasha; Bosneaga, Elena; Yap, Edgar G; Das, Jyotirmoy; Tsai, Wen-Ting; Cabal, Angelo; Neuhaus, Erica; Maji, Dolonchampa; Kumar, Shailabh; Joo, Michael; Yakovlev, Sergey; Csencsits, Roseann; Yu, Zeyun; Bajaj, Chandrajit; Downing, Kenneth H; Auer, Manfred

    2014-01-01

    Cost-effective production of lignocellulosic biofuel requires efficient breakdown of cell walls present in plant biomass to retrieve the wall polysaccharides for fermentation. In-depth knowledge of plant cell wall composition is therefore essential for improving the fuel production process. The precise spatial three-dimensional (3D) organization of cellulose, hemicellulose, pectin and lignin within plant cell walls remains unclear to date since the microscopy techniques used so far have been limited to two-dimensional, topographic or low-resolution imaging, or required isolation or chemical extraction of the cell walls. In this paper we demonstrate that by cryo-immobilizing fresh tissue, then either cryo-sectioning or freeze-substituting and resin embedding, followed by cryo- or room temperature (RT) electron tomography, respectively, we can visualize previously unseen details of plant cell wall architecture in 3D, at macromolecular resolution (∼ 2 nm), and in near-native state. Qualitative and quantitative analyses showed that wall organization of cryo-immobilized samples were preserved remarkably better than conventionally prepared samples that suffer substantial extraction. Lignin-less primary cell walls were well preserved in both self-pressurized rapidly frozen (SPRF), cryo-sectioned samples as well as high-pressure frozen, freeze-substituted and resin embedded (HPF-FS-resin) samples. Lignin-rich secondary cell walls appeared featureless in HPF-FS-resin sections presumably due to poor stain penetration, but their macromolecular features could be visualized in unprecedented details in our cryo-sections. While cryo-tomography of vitreous tissue sections is currently proving to be instrumental in developing 3D models of lignin-rich secondary cell walls, here we confirm that the technically easier method of RT-tomography of HPF-FS-resin sections could be used immediately for routine study of low-lignin cell walls. As a proof of principle, we characterized the

  11. The Three-Dimensional Micro- and Nanostructure of the Aortic Medial Lamellar Unit Measured Using 3D Confocal & Electron Microscopy Imaging

    PubMed Central

    O’Connell, Mary K; Murthy, Sushila; Phan, Samson; Xu, Chengpei; Buchanan, JoAnn; Spilker, Ryan; Dalman, Ronald L; Zarins, Christopher K; Denk, Winfried; Taylor, Charles A

    2009-01-01

    Changes in arterial wall composition and function underlie all forms of vascular disease. The fundamental structural and functional unit of the aortic wall is the medial lamellar unit (MLU). While the basic composition and organization of the MLU is known, three-dimensional (3D) microstructural details are tenuous, due (in part) to lack of three-dimensional data at micro- and nano-scales. We applied novel electron and confocal microscopy techniques to obtain 3D volumetric information of aortic medial microstructure at micro- and nano-scales with all constituents present. For the rat abdominal aorta, we show that medial elastin has three primary forms: with approximately 71% of total elastin as thick, continuous lamellar sheets, 27% as thin, protruding interlamellar elastin fibers (IEFs), and 2% as thick radial struts. Elastin pores are not simply holes in lamellar sheets, but are indented and gusseted openings in lamellae. Smooth Muscle Cells (SMCs) weave throughout the interlamellar elastin framework, with cytoplasmic extensions abutting IEFs, resulting in approximately 20° radial tilt (relative to the lumen surface) of elliptical SMC nuclei. Collagen fibers are organized as large, parallel bundles tightly enveloping SMC nuclei. Quantification of the orientation of collagen bundles, SMC nuclei, and IEFs reveal that all three primary medial constituents have predominantly circumferential orientation, correlating with reported circumferentially dominant values of physiological stress, collagen fiber recruitment, and tissue stiffness. This high resolution three-dimensional view of the aortic media reveals MLU microstructure details that suggest a highly complex and integrated mural organization that correlates with aortic mechanical properties. PMID:18248974

  12. 4D nanoscale diffraction observed by convergent-beam ultrafast electron microscopy.

    PubMed

    Yurtsever, Aycan; Zewail, Ahmed H

    2009-10-30

    Diffraction with focused electron probes is among the most powerful tools for the study of time-averaged nanoscale structures in condensed matter. Here, we report four-dimensional (4D) nanoscale diffraction, probing specific site dynamics with 10 orders of magnitude improvement in time resolution, in convergent-beam ultrafast electron microscopy (CB-UEM). As an application, we measured the change of diffraction intensities in laser-heated crystalline silicon as a function of time and fluence. The structural dynamics (change in 7.3 +/- 3.5 picoseconds), the temperatures (up to 366 kelvin), and the amplitudes of atomic vibrations (up to 0.084 angstroms) are determined for atoms strictly localized within the confined probe area (10 to 300 nanometers in diameter). We anticipate a broad range of applications for CB-UEM and its variants, especially in the studies of single particles and heterogeneous structures. PMID:19900928

  13. Diffraction in resonant electron scattering from helical macromolecules: A- and B-type DNA

    SciTech Connect

    Caron, Laurent; Sanche, Leon

    2004-09-01

    We elaborate our theoretical framework to treat low-energy electron scattering from helical macromolecules. A model of simple scatterers organized into a helical structure is proposed with application to base-pair arrangements in DNA. We extend our analysis to A-type DNA as well as nonperiodic arrangements in B-type DNA. Diffraction patterns due to base-pair spacing are observed under all conditions. We discuss the role of electron diffraction in electron attachment to the bases leading to the formation of shape and core-excited resonances. The decay of such transient anions into dissociative-state channels producing DNA strand breaks is also described. We find A-type DNA to be much more sensitive to low-energy electrons than B type.

  14. Ultrafast Electron Diffraction Tomography for Structure Determination of the New Zeolite ITQ-58.

    PubMed

    Simancas, Jorge; Simancas, Raquel; Bereciartua, Pablo J; Jorda, Jose L; Rey, Fernando; Corma, Avelino; Nicolopoulos, Stavros; Pratim Das, Partha; Gemmi, Mauro; Mugnaioli, Enrico

    2016-08-17

    In this work a new ultrafast data collection strategy for electron diffraction tomography is presented that allows reducing data acquisition time by one order of magnitude. This methodology minimizes the radiation damage of beam-sensitive materials, such as microporous materials. This method, combined with the precession of the electron beam, provides high quality data enabling the determination of very complex structures. Most importantly, the implementation of this new electron diffraction methodology is easily affordable in any modern electron microscope. As a proof of concept, we have solved a new highly complex zeolitic structure named ITQ-58, with a very low symmetry (triclinic) and a large unit cell volume (1874.6 Å(3)), containing 16 silicon and 32 oxygen atoms in its asymmetric unit, which would be very difficult to solve with the state of the art techniques. PMID:27478889

  15. 3D Imaging.

    ERIC Educational Resources Information Center

    Hastings, S. K.

    2002-01-01

    Discusses 3 D imaging as it relates to digital representations in virtual library collections. Highlights include X-ray computed tomography (X-ray CT); the National Science Foundation (NSF) Digital Library Initiatives; output peripherals; image retrieval systems, including metadata; and applications of 3 D imaging for libraries and museums. (LRW)

  16. Characterization of calcium crystals in Abelia using x-ray diffraction and electron microscopes

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Localization, chemical composition, and morphology of calcium crystals in leaves and stems of Abelia mosanensis and A. ×grandiflora were analyzed with a variable pressure scanning electron microscope (VP-SEM) equipped with an X-ray diffraction system, low temperature SEM (LT-SEM) and a transmission ...

  17. Electro-optic sampling for time resolving relativistic ultrafast electron diffraction

    SciTech Connect

    Scoby, C. M.; Musumeci, P.; Moody, J.; Gutierrez, M.; Tran, T.

    2009-01-22

    The Pegasus laboratory at UCLA features a state-of-the-art electron photoinjector capable of producing ultrashort (<100 fs) high-brightness electron bunches at energies of 3.75 MeV. These beams recently have been used to produce static diffraction patterns from scattering off thin metal foils, and it is foreseen to take advantage of the ultrashort nature of these bunches in future pump-probe time-resolved diffraction studies. In this paper, single shot 2-d electro-optic sampling is presented as a potential technique for time of arrival stamping of electron bunches used for diffraction. Effects of relatively low bunch charge (a few 10's of pC) and modestly relativistic beams are discussed and background compensation techniques to obtain high signal-to-noise ratio are explored. From these preliminary tests, electro-optic sampling is suitable to be a reliable nondestructive time stamping method for relativistic ultrafast electron diffraction at the Pegasus lab.

  18. Electron back-scattering diffraction (EBSD) measurements of antigorite lattice-preferred orientations (LPO).

    PubMed

    van de Moortèle, B; Bezacier, L; Trullenque, G; Reynard, B

    2010-09-01

    Lattice preferred orientations of serpentines induce a strong anisotropy of various properties in serpentine bearing-rocks. Lattice preferred orientations had so far been obtained only by X-ray diffraction techniques. We have applied electron back-scattering diffraction to the measurement of the lattice preferred orientations of antigorite in a naturally deformed high-pressure serpentinite. This technique is very sensitive to sample preparation that can lead to surface amorphization in the case of serpentine. A polishing procedure is described that avoids amorphization and allows accurate electron back-scattering diffraction measurements with optimized experimental conditions in a variable pressure scanning electron microscope. Results indicate that deformation leads to lattice preferred orientations characterized by extremely strong c-axis clustering perpendicular to the foliation, as expected for a layered silicate. In the foliation plane, a significant clustering of the a-axis is observed and tentatively attributed to intracrystalline deformation mechanisms. These data suggest that antigorite deforms mostly by gliding along the basal plane of the layered phyllosilicate structure, but that gliding may occur along directions favouring a-axis alignment. Electron back-scattering diffraction appears to be a reliable method for determining phyllosilicate lattice preferred orientations in deformed rocks, with potential applications for determining anisotropy of properties like seismic velocities or thermal and electrical conductivities. PMID:20701663

  19. Parametric X-ray Radiation and Diffraction Bremsstrahlung from Moderately Relativistic Electrons in Pyrolytic Graphite Crystal

    SciTech Connect

    Vagner, A. R.; Potylitsyn, A. P.; Kuznecov, S. I.; Uglov, S. R.; Zabaev, V. N.; Razin, S. V.

    2007-11-26

    Spectral maxima of parametric X-ray radiation (PXR) and diffraction bremsstrahlung (DBS) from moderately relativistic electrons and bremsstrahlung interacting with crystal have been observed. The maxima position of PXR and DBS depends on the crystal orientation angle and corresponds to theoretical calculations.

  20. Supersilyl radicals from the dissociation of superdisilane observed by gas electron diffraction.

    PubMed

    Masters, Sarah L; Grassie, Duncan A; Robertson, Heather E; Hölbling, Margit; Hassler, Karl

    2007-07-01

    The vapour produced upon mild heating of hexa-tert-butyldisilane (superdisilane) has been studied by gas electron diffraction and ab initio molecular orbital calculations; the disilane is not observed in the vapour, and the observed radical structure is not the lowest energy structure predicted ab initio. PMID:17579757

  1. Systematic measurement of the relative electron-impact excitation cross section of the 3d{yields}2p{sup 1}P{sub 1} resonance and {sup 3}D{sub 1} intercombination lines in mid-Z neonlike ions

    SciTech Connect

    Brown, G. V.; Beiersdorfer, P.; Widmann, K.

    2001-03-01

    The relative electron-impact cross sections for exciting the 3d{yields}2p{sup 1}P{sub 1} resonance and {sup 3}D{sub 1} intercombination lines have been measured in nine neonlike ions between Cr{sup 14+} and Kr{sup 26+}. The ratio drops from about 4.4 for Cr{sup 14+} to less than unity for Kr{sup 26+} in response to an increase in relativistic effects. A measurement of the dependence of this ratio on electron energy is presented for Fe{sup 16+}. No dependence on electron energy is found. The measured ratios are generally lower than theory, showing that the relative intensity of the intercombination line is larger than predicted and illustrating the difficulty to predict electron-impact excitation cross sections in the intermediate coupling regime at the level needed for spectral diagnostics.

  2. On the Use of Dynamical Diffraction Theory To Refine Crystal Structure from Electron Diffraction Data: Application to KLa5O5(VO4)2, a Material with Promising Luminescent Properties.

    PubMed

    Colmont, Marie; Palatinus, Lukas; Huvé, Marielle; Kabbour, Houria; Saitzek, Sébastien; Djelal, Nora; Roussel, Pascal

    2016-03-01

    A new lanthanum oxide, KLa5O5(VO4)2, was synthesized using a flux growth technique that involved solid-state reaction under an air atmosphere at 900 °C. The crystal structure was solved and refined using an innovative approach recently established and based on three-dimensional (3D) electron diffraction data, using precession of the electron beam and then validated against Rietveld refinement and denisty functional theory (DFT) calculations. It crystallizes in a monoclinic unit cell with space group C2/m and has unit cell parameters of a = 20.2282(14) Å, b = 5.8639(4) Å, c = 12.6060(9) Å, and β = 117.64(1)°. Its structure is built on Cresnel-like two-dimensional (2D) units (La5O5) of 4*3 (OLa4) tetrahedra, which run parallel to (001) plane, being surrounded by isolated VO4 tetrahedra. Four isolated vanadate groups create channels that host K(+) ions. Substitution of K(+) cations by another alkali metal is possible, going from lithium to rubidium. Li substitution led to a similar phase with a primitive monoclinic unit cell. A complementary selected area electron diffraction (SAED) study highlighted diffuse streaks associated with stacking faults observed on high-resolution electron microscopy (HREM) images of the lithium compound. Finally, preliminary catalytic tests for ethanol oxidation are reported, as well as luminescence evidence. This paper also describes how solid-state chemists can take advantages of recent progresses in electron crystallography, assisted by DFT calculations and powder X-ray diffraction (PXRD) refinements, to propose new structural types with potential applications to the physicist community. PMID:26901292

  3. A Low-Dose Electron Diffraction Assay for Protection of Protein Structure against Damage from Drying

    NASA Astrophysics Data System (ADS)

    Massover, William H.

    2004-04-01

    A new assay using low-dose electron diffraction to measure the protection of protein structure against damage from drying is described. When thin single crystals of catalase are dried within water alone, low-dose electron diffraction yields no Bragg spots. Drying within an experimental aqueous solution that permits detection of diffraction spots thereby indicates a positive result, and the extent of these Bragg reflections into the high angle range gives a quantitative measure of the degree of protection. Bragg spots out to 3.7 3.9 [Angstrom capital A, ring] are recorded for drying within 100 mM solutions of the known structure-preserving sugars, sucrose, tannin, and trehalose. The ability of trehalose to maintain native protein structure during drying starts between 10 and 25 mM, and changes only slightly at concentrations above this threshold; with drying in 150-mM trehalose, catalase crystals yield diffraction spots out to 3.7 [Angstrom capital A, ring]. Drying within the organic nonsugar polymer polyvinylpyrrolidone gives Bragg spots to 4.0 [Angstrom capital A, ring]. This new assay should be useful to measure the unexamined structure-preserving capabilities of modified sugars, other nonsugars, and mixtures to identify which protective matrix maintains native protein structure to the greatest extent during drying; electron crystallography using that optimal matrix should yield protein structure at improved levels of high resolution.

  4. Odd electron diffraction patterns in silicon nanowires and silicon thin films explained by microtwins and nanotwins

    PubMed Central

    Cayron, Cyril; Den Hertog, Martien; Latu-Romain, Laurence; Mouchet, Céline; Secouard, Christopher; Rouviere, Jean-Luc; Rouviere, Emmanuelle; Simonato, Jean-Pierre

    2009-01-01

    Odd electron diffraction patterns (EDPs) have been obtained by transmission electron microscopy (TEM) on silicon nanowires grown via the vapour–liquid–solid method and on silicon thin films deposited by electron beam evaporation. Many explanations have been given in the past, without consensus among the scientific community: size artifacts, twinning artifacts or, more widely accepted, the existence of new hexagonal Si phases. In order to resolve this issue, the microstructures of Si nanowires and Si thin films have been characterized by TEM, high-resolution transmission electron microscopy (HRTEM) and high-resolution scanning transmission electron microscopy. Despite the differences in the geometries and elaboration processes, the EDPs of the materials show great similarities. The different hypotheses reported in the literature have been investigated. It was found that the positions of the diffraction spots in the EDPs could be reproduced by simulating a hexagonal structure with c/a = 12(2/3)1/2, but the intensities in many EDPs remained unexplained. Finally, it was established that all the experimental data, i.e. EDPs and HRTEM images, agree with a classical cubic silicon structure containing two microstructural defects: (i) overlapping Σ3 microtwins which induce extra spots by double diffraction, and (ii) nanotwins which induce extra spots as a result of streaking effects. It is concluded that there is no hexagonal phase in the Si nanowires and the Si thin films presented in this work. PMID:22477767

  5. Low energy electron diffraction study of high index copper surfaces underneath graphene

    NASA Astrophysics Data System (ADS)

    Lin, Chenfang; Tong, Nai; Yang, Weisheng; Zhao, Ruguang; Hu, Zonghai

    2015-08-01

    After growth of graphene by chemical vapour deposition on copper foil, Cu(4 1 0) facets were distinguished from Cu(1 0 0) facets using the low energy electron diffraction technique. Evolution of the diffraction patterns was studied after oxidation of the Cu substrate and subsequent annealing in ultrahigh vacuum. An ordered Cu(4 1 0)-O phase was then identified. The distinction between Cu(4 1 0) and Cu(4 1 0)-O is relevant in determination of the coupling between graphene and the substrate.

  6. Multiple reflection high-energy electron diffraction beam intensity measurement system

    NASA Technical Reports Server (NTRS)

    Resh, J. S.; Jamison, K. D.; Strozier, J.; Ignatiev, A.

    1990-01-01

    A video-based analysis system for reflection high-energy electron diffraction (RHEED) is described which simultaneously measures the intensities and profiles of multiple diffraction beams. This system is used to record real-time RHEED intensity oscillations for layer-by-layer epitaxial growth. Fast Fourier transform analysis of the oscillation data is used to directly determine the growth rate and to accurately obtain phase information about the oscillations. This system is demonstrated and compared to other methods of recording RHEED oscillation data.

  7. Unit-cell determination from randomly oriented electron-diffraction patterns

    PubMed Central

    Jiang, Linhua; Georgieva, Dilyana; Zandbergen, Henny W.; Abrahams, Jan Pieter

    2009-01-01

    Unit-cell determination is the first step towards the structure solution of an unknown crystal form. Standard procedures for unit-cell determination cannot cope with data collections that consist of single diffraction patterns of multiple crystals, each with an unknown orientation. However, for beam-sensitive nanocrystals these are often the only data that can be obtained. An algorithm for unit-cell determination that uses randomly oriented electron-diffraction patterns with unknown angular relationships is presented here. The algorithm determined the unit cells of mineral, pharmaceutical and protein nanocrystals in orthorhombic high- and low-symmetry space groups, allowing (well oriented) patterns to be indexed. PMID:19564682

  8. Application of Schwinger perturbation theory in electron diffraction analysis Part II. Bent XY2-type molecules

    NASA Astrophysics Data System (ADS)

    Ermakov, K. V.; Butayev, B. S.; Spiridonov, V. P.

    1991-08-01

    The method of analysis of molecules by electron diffraction in terms of the intramolecular potential function based on Schwinger thermodynamic perturbation theory formulated in Paper I of this series is extended to include bent XY 2-type molecules. A test of the performance of the analytical formulae derived is given by calculating various thermal average moments. These formulae, within the framework of the scheme of anharmonic diffraction analysis developed in Paper I, were applied to reinterpret the intensity data for Tl 20, SnCl 2, SnBr 2 and SnI 2 in conjunction with spectroscopic data.

  9. X-ray diffraction and electron spectroscopy of epitaxial molecular C sub 60 films

    SciTech Connect

    Tong, W.M.; Ohlberg, D.A.A.; You, H.K.; Williams, R.S.; Anz, S.J.; Alvarez, M.M.; Whetten, R.L.; Rubin, Y.; Diederich, F.N. )

    1991-06-13

    Films of the new carbon allotrope, molecular C{sub 60}, also known as Buckminsterfullerene, have been grown on Si(111) substrates by molecular beam epitaxy. The films have been characterized with X-ray 2{theta} diffraction, X-ray photoelectron spectroscopy, Auger electron spectroscopy, and electron energy loss spectroscopy. The diffraction data from oriented films show that close-packed planes of C{sub 60} molecules are stacked parallel to the substrate surface but that the correlation length for X-ray scattering is less than 200 {angstrom}. The electron spectroscopic data show that the C atoms of C{sub 60} are essentially sp{sup 2}-bonded, but there are significant differences with respect to graphite.

  10. Phase Identification of Dual-Phase (DP980) Steels by Electron Backscatter Diffraction and Nanoindentation Techniques.

    PubMed

    Zhang, Fan; Ruimi, Annie; Field, David P

    2016-02-01

    Phase identification of multi-phase materials provides essential information relating the material to its mechanical properties. In this study we selected DP980, a type of dual-phase steel, to investigate the content of martensite and ferrite grains. A combination of advanced techniques was used to provide detailed and precise information of the microstructure. Scanning and transmission electron microscopy were used to provide observations of the sample surface at different scales. Martensite and ferrite phases of DP980 were further identified and characterized using electron backscatter diffraction and scanning probe microscopy. Results obtained with nanoindentation tests confirmed that the differences in nanohardness values in single-phase grains are martensite and ferrite with different surface heights shown by scanning probe microscopy. The similarity shown in the image quality map and scanning probe microscopy proves that a large fraction of martensite can be distinguished in this undeformed material using image quality parameters obtained during electron backscatter diffraction imaging. PMID:26781200

  11. Guide for 3D WARP simulations of hollow electron beam lenses. Practical explanation on basis of Tevatron electron lens test stand

    SciTech Connect

    Moens, Vince

    2014-06-08

    The purpose of this guide is to help successive students handle WARP. It outlines the installation of WARP on personal computers as well as super-computers and clusters. It furthermore teaches the reader how to handle the WARP environment and run basic scripts. Lastly it outlines how to execute the current Hollow Electron Beam Lens scripts.

  12. Effects of focused ion beam milling on electron backscatter diffraction patterns in strontium titanate and stabilized zirconia.

    PubMed

    Saowadee, N; Agersted, K; Bowen, J R

    2012-06-01

    This study investigates the effect of focused ion beam (FIB) current and accelerating voltage on electron backscatter diffraction pattern quality of yttria-stabilized zirconia (YSZ) and Nb-doped strontium titanate (STN) to optimize data quality and acquisition time for 3D-EBSD experiments by FIB serial sectioning. Band contrast and band slope were used to describe the pattern quality. The FIB probe currents investigated ranged from 100 to 5000 pA and the accelerating voltage was either 30 or 5 kV. The results show that 30 kV FIB milling induced a significant reduction of the pattern quality of STN samples compared to a mechanically polished surface but yielded a high pattern quality on YSZ. The difference between STN and YSZ pattern quality is thought to be caused by difference in the degree of ion damage as their backscatter coefficients and ion penetration depths are virtually identical. Reducing the FIB probe current from 5000 to 100 pA improved the pattern quality by 20% for STN but only showed a marginal improvement for YSZ. On STN, a conductive coating can help to improve the pattern quality and 5 kV polishing can lead to a 100% improvement of the pattern quality relatively to 30 kV FIB milling. For 3D-EBSD experiments of a material such as STN, it is recommended to combine a high kV FIB milling and low kV polishing for each slice in order to optimize the data quality and acquisition time. PMID:22582798

  13. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method

    NASA Astrophysics Data System (ADS)

    Xu, Zhongnan; Joshi, Yogesh V.; Raman, Sumathy; Kitchin, John R.

    2015-04-01

    We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V ) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

  14. Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method

    SciTech Connect

    Xu, Zhongnan; Kitchin, John R.; Joshi, Yogesh V.; Raman, Sumathy

    2015-04-14

    We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V ) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

  15. X-ray fluorescence (conventional and 3D) and scanning electron microscopy for the investigation of Portuguese polychrome glazed ceramics: Advances in the knowledge of the manufacturing techniques

    NASA Astrophysics Data System (ADS)

    Guilherme, A.; Coroado, J.; dos Santos, J. M. F.; Lühl, L.; Wolff, T.; Kanngießer, B.; Carvalho, M. L.

    2011-05-01

    This work shows the first analytical results obtained by X-Ray Fluorescence (XRF) (conventional and 3D) and Scanning Electron Microscopy with Energy Dispersive System (SEM-EDS) on original Portuguese ceramic pieces produced between the 16th and 18th centuries in Coimbra and Lisbon. Experts distinguished these productions based only on the color, texture and brightness, which originates mislabeling in some cases. Thanks to lateral and spatial resolution in the micrometer regime, the results obtained with μ-XRF were essential in determining the glaze and pigment thicknesses by monitoring the profile of the most abundant element in each "layer". Furthermore, the dissemination of these elements throughout the glaze is different depending on the glaze composition, firing temperature and on the pigment itself. Hence, the crucial point of this investigation was to analyze and understand the interfaces color/glaze and glaze/ceramic support. Together with the XRF results, images captured by SEM and the corresponding semi-quantitative EDS data revealed different manufacturing processes used by the two production centers. Different capture modes were suitable to distinguish different crystals from the minerals that confer the color of the pigments used and to enhance the fact that some of them are very well spread through the glassy matrix, sustaining the theory of an evolved and careful procedure in the manufacturing process of the glaze.

  16. Numerical Solution of 3D Poisson-Nernst-Planck Equations Coupled with Classical Density Functional Theory for Modeling Ion and Electron Transport in a Confined Environment

    SciTech Connect

    Meng, Da; Zheng, Bin; Lin, Guang; Sushko, Maria L.

    2014-08-29

    We have developed efficient numerical algorithms for the solution of 3D steady-state Poisson-Nernst-Planck equations (PNP) with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are discretized by finite difference scheme and solved iteratively by Gummel method with relaxation. The Nernst-Planck equations are transformed into Laplace equations through the Slotboom transformation. Algebraic multigrid method is then applied to efficiently solve the Poisson equation and the transformed Nernst-Planck equations. A novel strategy for calculating excess chemical potentials through fast Fourier transforms is proposed which reduces computational complexity from O(N2) to O(NlogN) where N is the number of grid points. Integrals involving Dirac delta function are evaluated directly by coordinate transformation which yields more accurate result compared to applying numerical quadrature to an approximated delta function. Numerical results for ion and electron transport in solid electrolyte for Li ion batteries are shown to be in good agreement with the experimental data and the results from previous studies.

  17. 5-Femtosecond Laser-Electron Synchronization for Pump-Probe Crystallography and Diffraction

    NASA Astrophysics Data System (ADS)

    Walbran, Matthew; Gliserin, Alexander; Jung, Kwangyun; Kim, Jungwon; Baum, Peter

    2015-10-01

    For improving the temporal resolution in ultrafast pump-probe electron or x-ray diffraction, we report a laser-electron synchronization concept via direct microwave extraction from the laser frequency comb combined with phase detection by fiber-loop interferometry, in situ drift correction via electron-energy analysis, and laser-electron streaking for final timing metrology. We achieve a laser-electron jitter below 5 fs (rms) integrated between 8 min and Nyquist period (400 ns). Slower drifts are also below 5 fs (rms) after active compensation. This result helps advance femtosecond crystallography with electrons or x rays to the regime of fundamental atomic-scale dynamics and light-matter interaction.

  18. TRACE 3-D documentation

    SciTech Connect

    Crandall, K.R.

    1987-08-01

    TRACE 3-D is an interactive beam-dynamics program that calculates the envelopes of a bunched beam, including linear space-charge forces, through a user-defined transport system. TRACE 3-D provides an immediate graphics display of the envelopes and the phase-space ellipses and allows nine types of beam-matching options. This report describes the beam-dynamics calculations and gives detailed instruction for using the code. Several examples are described in detail.

  19. Investigation on Deformation Behavior of Nickel Aluminum Bronze by Neutron Diffraction and Transmission Electron Microscopy

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoyan; Wang, Hong; Lv, Yuting; Lu, Weijie; Sun, Guangai

    2016-05-01

    The deformation behavior, deformation microstructures, and generated inter-phase stresses of nickel aluminum bronze were investigated by in situ neutron diffraction instrument and transmission electron microscopy in this paper. Lattice strains calculated by both peak shifting and broadening by Gaussian fitting of α and κ phase neutron diffraction peak profiles at both holding stress conditions and unloaded stress conditions were compared. Twining and stacking faults in α matrix were observed after deformed by different tensile stresses. Compressive internal/residual stress in α matrix and tensile internal stress in κ phase in elasto-plastic region were calculated based on neutron diffraction analysis. The piled-up dislocations around hard κ phases increase with increasing the deformation degree, which raise the stress concentration near α/ κ interface and increase the internal stresses.

  20. 3D Micro-topography of Transferred Laboratory and Natural Ice Crystal Surfaces Imaged by Cryo and Environmental Scanning Electron Microscopy

    NASA Astrophysics Data System (ADS)

    Magee, N. B.; Boaggio, K.; Bancroft, L.; Bandamede, M.

    2015-12-01

    Recent work has highlighted micro-scale roughness on the surfaces of ice crystals grown and imaged in-situ within the chambers of environmental scanning electron microscopes (ESEM). These observations appear to align with theoretical and satellite observations that suggest a prevalence of rough ice in cirrus clouds. However, the atmospheric application of the lab observations are indeterminate because the observations have been based only on crystals grown on substrates and in pure-water vapor environments. In this work, we present details and results from the development of a transfer technique which allows natural and lab-grown ice and snow crystals to be captured, preserved, and transferred into the ESEM for 3D imaging. Ice crystals were gathered from 1) natural snow, 2) a balloon-borne cirrus particle capture device, and 3) lab-grown ice crystals from a diffusion chamber. Ice crystals were captured in a pre-conditioned small-volume (~1 cm3) cryo-containment cell. The cell was then sealed closed and transferred to a specially-designed cryogenic dewer (filled with liquid nitrogen or crushed dry ice) for transport to a new Hitachi Field Emission, Variable Pressure SEM (SU-5000). The cryo-cell was then removed from the dewer and quickly placed onto the pre-conditioned cryo transfer stage attached to the ESEM (Quorum 3010T). Quantitative 3D topographical digital elevation models of ice surfaces are reported from SEM for the first time, including a variety of objective measures of statistical surface roughness. The surfaces of the transported crystals clearly exhibit signatures of mesoscopic roughening that are similar to examples of roughness seen in ESEM-grown crystals. For most transported crystals, the habits and crystal edges are more intricate that those observed for ice grown directly on substrates within the ESEM chamber. Portions of some crystals do appear smooth even at magnification greater than 1000x, a rare observation in our ESEM-grown crystals. The

  1. Identification of crystals deposited in brain and kidney after xylitol administration by biochemical, histochemical, and electron diffraction methods.

    PubMed

    Evans, G W; Phillips, G; Mukherjee, T M; Snow, M R; Lawrence, J R; Thomas, D W

    1973-01-01

    The positive identification of crystals of calcium oxalate occurring in brain and kidney after xylitol administration is described. Biochemical, histochemical, conventional light and electron microscopical methods, including selected area electron diffraction, were used to characterize the crystals. PMID:4693896

  2. Identification of crystals deposited in brain and kidney after xylitol administration by biochemical, histochemical, and electron diffraction methods

    PubMed Central

    Evans, G. W.; Phillips, Gael; Mukherjee, T. M.; Snow, M. R.; Lawrence, J. R.; Thomas, D. W.

    1973-01-01

    The positive identification of crystals of calcium oxalate occurring in brain and kidney after xylitol administration is described. Biochemical, histochemical, conventional light and electron microscopical methods, including selected area electron diffraction, were used to characterize the crystals. Images PMID:4693896

  3. 3-dimensional indexation of the icosahedral diffraction pattern using the techniques of electron microscopy

    NASA Astrophysics Data System (ADS)

    Bourdillon, Antony

    2012-11-01

    The following facts about icosahedra need wider attention. 1) The golden section τ is as fundamental to the icosahedral structure (length /edge) as π is to the sphere (circumference /diameter). 2) The diffraction series are in restricted Fibonacci order because the ratio of adjacent terms fn/fn-1 does not vary, but is the constant τ. The series is therefore geometric. 3) Because of the tetragonal subgroup in the icosahedral point group symmetry, many axes in the icosahedral structure have identical orientation to axes in the face centered cubic matrix of Al6Mn [1] (e.g. [100] and [111]). On these bases, a three dimensional stereographic projection will be presented. 4) A quasi-Bragg law is derived that correctly represents the diffraction series in powers of τ [2]. Furthermore, by employing the normal conventions of electron microscopy, all diffraction patterns are completely indexed in three dimensions. These are the topic of this presentation. Significant consequences will be presented elsewhere: 1) The diffraction pattern intensities near all main axes are correctly simulated, and all atoms are located on a specimen image. 2) The quasi-Bragg law has a special metric. Atomic locations are consistently calculated for the first time. 3) Whereas the Bragg law transforms a crystal lattice in real space into a reciprocal lattice in diffraction space, the quasi-Bragg law transforms a geometric diffraction pattern into a hierarchic structure. 4) Hyperspatial indexation [3] is superceded. [1] Shechtman, D.; Blech, I.; Gratias, D.; Cahn, J.W., Metallic phase with long-range orientational order and no translational symmetry, Phys. Rev. Lett., 1984, 53, 1951-3. [2] Bourdillon, A. J., Nearly free electron band structures in a logarithmically periodic solid, Sol. State Comm. 2009, 149, 1221-1225. [3] Duneau, M., and Katz, A., Phys Rev Lett 54, 2688-2691

  4. Tilted femtosecond pulses for velocity matching in gas-phase ultrafast electron diffraction

    NASA Astrophysics Data System (ADS)

    Zhang, Ping; Yang, Jie; Centurion, Martin

    2014-08-01

    Recent advances in pulsed electron gun technology have resulted in femtosecond electron pulses becoming available for ultrafast electron diffraction experiments. For experiments investigating chemical dynamics in the gas phase, the resolution is still limited to picosecond time scales due to the velocity mismatch between laser and electron pulses. Tilted laser pulses can be used for velocity matching, but thus far this has not been demonstrated over an extended target in a diffraction setting. We demonstrate an optical configuration to deliver high-intensity laser pulses with a tilted pulse front for velocity matching over the typical length of a gas jet. A laser pulse is diffracted from a grating to introduce angular dispersion, and the grating surface is imaged on the target using large demagnification. The laser pulse duration and tilt angle were measured at and near the image plane using two different techniques: second harmonic cross correlation and an interferometric method. We found that a temporal resolution on the order of 100 fs can be achieved over a range of approximately 1 mm around the image plane.

  5. Three-dimensional rotation electron diffraction: software RED for automated data collection and data processing.

    PubMed

    Wan, Wei; Sun, Junliang; Su, Jie; Hovmöller, Sven; Zou, Xiaodong

    2013-12-01

    Implementation of a computer program package for automated collection and processing of rotation electron diffraction (RED) data is described. The software package contains two computer programs: RED data collection and RED data processing. The RED data collection program controls the transmission electron microscope and the camera. Electron beam tilts at a fine step (0.05-0.20°) are combined with goniometer tilts at a coarse step (2.0-3.0°) around a common tilt axis, which allows a fine relative tilt to be achieved between the electron beam and the crystal in a large tilt range. An electron diffraction (ED) frame is collected at each combination of beam tilt and goniometer tilt. The RED data processing program processes three-dimensional ED data generated by the RED data collection program or by other approaches. It includes shift correction of the ED frames, peak hunting for diffraction spots in individual ED frames and identification of these diffraction spots as reflections in three dimensions. Unit-cell parameters are determined from the positions of reflections in three-dimensional reciprocal space. All reflections are indexed, and finally a list with hkl indices and intensities is output. The data processing program also includes a visualizer to view and analyse three-dimensional reciprocal lattices reconstructed from the ED frames. Details of the implementation are described. Data collection and data processing with the software RED are demonstrated using a calcined zeolite sample, silicalite-1. The structure of the calcined silicalite-1, with 72 unique atoms, could be solved from the RED data by routine direct methods. PMID:24282334

  6. FPGA architectures for electronically scanned wide-band RF beams using 3-D FIR/IIR digital filters for rectangular array aperture receivers

    NASA Astrophysics Data System (ADS)

    Wijayaratna, Sewwandi; Madanayake, Arjuna; Beall, Brandon D.; Bruton, Len T.

    2014-05-01

    Real-time digital implementation of three-dimensional (3-D) infinite impulse response (IIR) beam filters are discussed. The 3-D IIR filter building blocks have filter coefficients, which are defined using algebraic closed-form expressions that are functions of desired beam personalities, such as the look-direction of the aperture, the bandwidth and sampling frequency of interest, inter antenna spacing, and 3dB beam size. Real-time steering of such 3-D beam filters are obtained by proposed calculation of filter coefficients. Application specific computing units for rapidly calculating the 3-D IIR filter coefficients at nanosecond speed potentially allows fast real-time tracking of low radar cross section (RCS) objects at close range. Proposed design consists of 3-D IIR beam filter with 4 4 antenna grid and the filter coefficient generation block in separate FPGAs. The hardware is designed and co-simulated using a Xilinx Virtex-6 XC6VLX240T FPGA. The 3-D filter operates over 90 MHz and filter coefficient computing structure can operate at up to 145 MHz.

  7. Determining Projections of Grain Boundaries from Diffraction Data in Transmission Electron Microscope.

    PubMed

    Kiss, Ákos K; Lábár, János L

    2016-06-01

    Grain boundaries (GB) are characterized by disorientation of the neighboring grains and the direction of the boundary plane between them. A new approach presented here determines the projection of GB that can be used to determine the latter one. The novelty is that an additional parameter of GB is quantified in addition to the ones provided by the orientation maps, namely the width of the projection of the GB is measured from the same set of diffraction patterns that were recorded for the orientation map, without the need to take any additional images. The diffraction patterns are collected in nanobeam diffraction mode in a transmission electron microscope, pixel-by-pixel, from an area containing two neighboring grains and the boundary between them. In our case, the diffraction patterns were recorded using the beam scanning function of a commercially available system (ASTAR). Our method is based on non-negative matrix factorization applied to the mentioned set of diffraction patterns. The method is encoded in a MATLAB environment, making the results easy to interpret and visualize. The measured GB-projection width is used to determine the orientation of the GB-plane, as given in the study by Kiss et al. PMID:27074103

  8. Diffraction efficiency of plasmonic gratings fabricated by electron beam lithography using a silver halide film

    NASA Astrophysics Data System (ADS)

    Sudheer, Porwal, S.; Bhartiya, S.; Rao, B. T.; Tiwari, P.; Srivastava, Himanshu; Sharma, T. K.; Rai, V. N.; Srivastava, A. K.; Naik, P. A.

    2016-07-01

    The silver nanoparticle surface relief gratings of ˜10 μm period are fabricated using electron beam lithography on the silver halide film substrate. Morphological characterization of the gratings shows that the period, the shape, and the relief depth in the gratings are mainly dependent on the number of lines per frame, the spot size, and the accelerating voltage of electron beam raster in the SEM. Optical absorption of the silver nanoparticle gratings provides a broad localized surface plasmon resonance peak in the visible region, whereas the intensity of the peaks depends on the number density of silver nanoparticles in the gratings. The maximum efficiency of ˜7.2% for first order diffraction is observed for the grating fabricated at 15 keV. The efficiency is peaking at 560 nm with ˜380 nm bandwidth. The measured profiles of the diffraction efficiency for the gratings are found in close agreement with the Raman-Nath diffraction theory. This technique provides a simple and efficient method for the fabrication of plasmonic nanoparticle grating structures with high diffraction efficiency having broad wavelength tuning.

  9. Microstrain distribution mapping on CuInSe2 thin films by means of electron backscatter diffraction, X-ray diffraction, and Raman microspectroscopy.

    PubMed

    Schäfer, Norbert; Wilkinson, Angus J; Schmid, Thomas; Winkelmann, Aimo; Chahine, Gilbert A; Schülli, Tobias U; Rissom, Thorsten; Marquardt, Julien; Schorr, Susan; Abou-Ras, Daniel

    2016-10-01

    The investigation of the microstructure in functional, polycrystalline thin films is an important contribution to the enhanced understanding of structure-property relationships in corresponding devices. Linear and planar defects within individual grains may affect substantially the performance of the device. These defects are closely related to strain distributions. The present work compares electron and X-ray diffraction as well as Raman microspectroscopy, which provide access to microstrain distributions within individual grains. CuInSe2 thin films for solar cells are used as a model system. High-resolution electron backscatter diffraction and X-ray microdiffraction as well as Raman microspectroscopy were applied for this comparison. Consistently, microstrain values were determined of the order of 10(-4) by these three techniques. However, only electron backscatter diffraction, X-ray microdiffraction exhibit sensitivities appropriate for mapping local strain changes at the submicrometer level within individual grains in polycrystalline materials. PMID:27459269

  10. Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses

    NASA Astrophysics Data System (ADS)

    Yang, Jie; Guehr, Markus; Vecchione, Theodore; Robinson, Matthew S.; Li, Renkai; Hartmann, Nick; Shen, Xiaozhe; Coffee, Ryan; Corbett, Jeff; Fry, Alan; Gaffney, Kelly; Gorkhover, Tais; Hast, Carsten; Jobe, Keith; Makasyuk, Igor; Reid, Alexander; Robinson, Joseph; Vetter, Sharon; Wang, Fenglin; Weathersby, Stephen; Yoneda, Charles; Centurion, Martin; Wang, Xijie

    2016-04-01

    Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angström spatial precision is one of the critical challenges in the chemical sciences, as the nuclear geometry changes determine the molecular reactivity. For photoexcited molecules, the nuclear dynamics determine the photoenergy conversion path and efficiency. Here we report a gas-phase electron diffraction experiment using megaelectronvolt (MeV) electrons, where we captured the rotational wavepacket dynamics of nonadiabatically laser-aligned nitrogen molecules. We achieved a combination of 100 fs root-mean-squared temporal resolution and sub-Angstrom (0.76 Å) spatial resolution that makes it possible to resolve the position of the nuclei within the molecule. In addition, the diffraction patterns reveal the angular distribution of the molecules, which changes from prolate (aligned) to oblate (anti-aligned) in 300 fs. Our results demonstrate a significant and promising step towards making atomically resolved movies of molecular reactions.

  11. Reciprocal space mapping by spot profile analyzing low energy electron diffraction

    NASA Astrophysics Data System (ADS)

    Meyer zu Heringdorf, Frank-J.; Horn-von Hoegen, Michael

    2005-08-01

    We present an experimental approach for the recording of two-dimensional reciprocal space maps using spot profile analyzing low energy electron diffraction (SPA-LEED). A specialized alignment procedure eliminates the shifting of LEED patterns on the screen which is commonly observed upon variation of the electron energy. After the alignment, a set of one-dimensional sections through the diffraction pattern is recorded at different energies. A freely available software tool is used to assemble the sections into a reciprocal space map. The necessary modifications of the Burr-Brown computer interface of the two Leybold and Omicron type SPA-LEED instruments are discussed and step-by-step instructions are given to adapt the SPA 4.1d software to the changed hardware. Au induced faceting of 4° vicinal Si(001) is used as an example to demonstrate the technique.

  12. Solving non-centrosymmetric two-dimensional crystal structures by dynamic electron diffraction.

    PubMed

    Koch, Christoph T

    2005-03-01

    Despite the fast increase in expertise developed in the field of electron crystallography, dynamic scattering effects still remain a severe obstacle in this field, a hurdle that is being circumvented rather than fully tackled. In this paper, a new way of straightforward interpretation of conventional many-beam zone-axis dynamical electron diffraction patterns is presented that helps to solve the phase problem for non-centrosymmetric two-dimensional crystal structures, in particular if these contain only a few heavier atoms. While the implementation of this method is easiest for fairly weak multiple scattering, its extension to arbitrarily strong dynamical effects is mentioned. A method to obtain high-resolution diffraction data in the presence of specimen bending is proposed. PMID:15724073

  13. Electron backscattering diffraction analysis of an ancient wootz steel blade from central India

    SciTech Connect

    Barnett, M.R. Sullivan, A.; Balasubramaniam, R.

    2009-04-15

    The electron backscattering diffraction technique was used to analyse the nature of carbides present in an ancient wootz steel blade. Bulky carbides, pro-eutectoid carbide along the prior austenite grain boundaries and fine spheroidized carbides were detected. Electron backscattering diffraction was employed to understand the texture of these carbides. The orientations of the cementite frequently occur in clusters, which points to a common origin of the members of the cluster. For the bands of coarse cementite, the origin is probably large coarse particles formed during the original cooling of the wootz cake. Pearlite formed earlier in the forging process has led to groups of similarly oriented fine cementite particles. The crystallographic texture of the cementite is sharp whereas that of the ferrite is weak. The sharp cementite textures point to the longevity of the coarse cementite throughout the repeated forging steps and to the influence of existing textured cementite on the nucleation of new cementite during cooling.

  14. The first 3D malonate bridged copper [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: Structure, properties and electronic structure

    SciTech Connect

    Seguatni, A.; Fakhfakh, M.; Smiri, L.S.; Gressier, P.; Boucher, F.; Jouini, N.

    2012-03-15

    A new inorganic-organic compound [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O] ([Cumal]) was hydrothermally synthesized and characterized by IR spectroscopy, thermal analysis and single crystal X-ray diffraction. [Cumal] is the first three-dimensional compound existing in the system Cu(II)-malonic acid-H{sub 2}O. Its framework is built up through carboxyl bridged copper where CuO{sub 6} octahedra are elongated with an almost D{sub 4h} symmetry (4+2) due to the Jahn-Teller effect. The magnetic properties were studied by measuring its magnetic susceptibility in the temperature range of 2-300 K indicating the existence of weak ferromagnetic interactions. The electronic structure of [Cumal] was calculated within the density functional theory (DFT) framework. Structural features are well reproduced using DFT structural optimizations and the optical spectra, calculated within the dielectric formalism, explain very well the light blue colour of the compound. It is shown that a GGA+U approach with a U{sub eff} value of about 6 eV is necessary for a better correlation with the experiment. - Graphical abstract: [Cu(O{sub 2}C-CH{sub 2}-CO{sub 2}H){sub 2}{center_dot}2H{sub 2}O]: the first 3D hybrid organic-inorganic compound built up carboxyl groups. The network presents a diamond-like structure achieved via carboxyl. Highlights: Black-Right-Pointing-Pointer A new organic-inorganic material with an unprecedented topology is synthesized. Black-Right-Pointing-Pointer Crystallographic structure is determined using single crystal X-ray diffraction. Black-Right-Pointing-Pointer Electronic structure is obtained from DFT, GGA+U calculation. Black-Right-Pointing-Pointer Framework can be described as formed from CuC{sub 4} tetrahedron sharing four corners. Black-Right-Pointing-Pointer This structure can be classified as an extended diamond structure.

  15. Strain mapping at the nanoscale using precession electron diffraction in transmission electron microscope with off axis camera

    SciTech Connect

    Vigouroux, M. P.; Delaye, V.; Bernier, N.; Lafond, D.; Audoit, G.; Bertin, F.; Cipro, R.; Baron, T.; Martin, M.; Rouvière, J. L.; Chenevier, B.

    2014-11-10

    Precession electron diffraction is an efficient technique to measure strain in nanostructures by precessing the electron beam, while maintaining a few nanometre probe size. Here, we show that an advanced diffraction pattern treatment allows reproducible and precise strain measurements to be obtained using a default 512 × 512 DigiSTAR off-axis camera both in advanced or non-corrected transmission electron microscopes. This treatment consists in both projective geometry correction of diffraction pattern distortions and strain Delaunay triangulation based analysis. Precision in the strain measurement is improved and reached 2.7 × 10{sup −4} with a probe size approaching 4.2 nm in diameter. This method is applied to the study of the strain state in InGaAs quantum-well (QW) devices elaborated on Si substrate. Results show that the GaAs/Si mismatch does not induce in-plane strain fluctuations in the InGaAs QW region.

  16. Sub-phonon-period compression of electron pulses for atomic diffraction

    PubMed Central

    Gliserin, A.; Walbran, M.; Krausz, F.; Baum, P.

    2015-01-01

    Visualizing the rearrangement of atoms in a wide range of molecular and condensed-matter systems requires resolving picometre displacements on a 10-fs timescale, which is achievable using pump–probe diffraction, given short enough pulses. Here we demonstrate the compression of single-electron pulses with a de Broglie wavelength of 0.08 ångström to a full-width at half-maximum duration of 28 fs or equivalently 12-fs root-mean square, substantially shorter than most phonon periods and molecular normal modes. Atomic resolution diffraction from a complex organic molecule is obtained with good signal-to-noise ratio within a data acquisition period of minutes. The electron-laser timing is found to be stable within 5 fs (s.d.) over several hours, allowing pump–probe diffraction at repetitive excitation. These measurements show the feasibility of laser-pump/electron-probe scans that can resolve the fastest atomic motions relevant in reversible condensed-matter transformations and organic chemistry. PMID:26502750

  17. Sub-phonon-period compression of electron pulses for atomic diffraction

    NASA Astrophysics Data System (ADS)

    Gliserin, A.; Walbran, M.; Krausz, F.; Baum, P.

    2015-10-01

    Visualizing the rearrangement of atoms in a wide range of molecular and condensed-matter systems requires resolving picometre displacements on a 10-fs timescale, which is achievable using pump-probe diffraction, given short enough pulses. Here we demonstrate the compression of single-electron pulses with a de Broglie wavelength of 0.08 ångström to a full-width at half-maximum duration of 28 fs or equivalently 12-fs root-mean square, substantially shorter than most phonon periods and molecular normal modes. Atomic resolution diffraction from a complex organic molecule is obtained with good signal-to-noise ratio within a data acquisition period of minutes. The electron-laser timing is found to be stable within 5 fs (s.d.) over several hours, allowing pump-probe diffraction at repetitive excitation. These measurements show the feasibility of laser-pump/electron-probe scans that can resolve the fastest atomic motions relevant in reversible condensed-matter transformations and organic chemistry.

  18. X-ray laser–induced electron dynamics observed by femtosecond diffraction from nanocrystals of Buckminsterfullerene

    PubMed Central

    Abbey, Brian; Dilanian, Ruben A.; Darmanin, Connie; Ryan, Rebecca A.; Putkunz, Corey T.; Martin, Andrew V.; Wood, David; Streltsov, Victor; Jones, Michael W. M.; Gaffney, Naylyn; Hofmann, Felix; Williams, Garth J.; Boutet, Sébastien; Messerschmidt, Marc; Seibert, M. Marvin; Williams, Sophie; Curwood, Evan; Balaur, Eugeniu; Peele, Andrew G.; Nugent, Keith A.; Quiney, Harry M.

    2016-01-01

    X-ray free-electron lasers (XFELs) deliver x-ray pulses with a coherent flux that is approximately eight orders of magnitude greater than that available from a modern third-generation synchrotron source. The power density of an XFEL pulse may be so high that it can modify the electronic properties of a sample on a femtosecond time scale. Exploration of the interaction of intense coherent x-ray pulses and matter is both of intrinsic scientific interest and of critical importance to the interpretation of experiments that probe the structures of materials using high-brightness femtosecond XFEL pulses. We report observations of the diffraction of extremely intense 32-fs nanofocused x-ray pulses by a powder sample of crystalline C60. We find that the diffraction pattern at the highest available incident power significantly differs from the one obtained using either third-generation synchrotron sources or XFEL sources operating at low output power and does not correspond to the diffraction pattern expected from any known phase of crystalline C60. We interpret these data as evidence of a long-range, coherent dynamic electronic distortion that is driven by the interaction of the periodic array of C60 molecular targets with intense x-ray pulses of femtosecond duration. PMID:27626076

  19. A structural study of cyanotrichite from Dachang by conventional and automated electron diffraction

    NASA Astrophysics Data System (ADS)

    Ventruti, Gennaro; Mugnaioli, Enrico; Capitani, Giancarlo; Scordari, Fernando; Pinto, Daniela; Lausi, Andrea

    2015-09-01

    The crystal structure of cyanotrichite, having general formula Cu4Al2(SO4)(OH)12·2H2O, from the Dachang deposit (China) was studied by means of conventional transmission electron microscopy, automated electron diffraction tomography (ADT) and synchrotron X-ray powder diffraction (XRPD). ADT revealed the presence of two different cyanotrichite-like phases. The same phases were also recognized in the XRPD pattern, allowing the perfect indexing of all peaks leading, after refinement to the following cell parameters: (1) a = 12.417(2) Å, b = 2.907(1) Å, c = 10.157(1) Å and β = 98.12(1); (2) a = 12.660(2) Å, b = 2.897(1) Å, c = 10.162(1) Å and β = 92.42(1)°. Only for the former phase, labeled cyanotrichite-98, a partial structure, corresponding to the [Cu4Al2(OH){12/2+}] cluster, was obtained ab initio by direct methods in space group C2/ m on the basis of electron diffraction data. Geometric and charge-balance considerations allowed to reach the whole structure model for the cyanotrichite-98 phase. The sulfate group and water molecule result to be statistically disordered over two possible positions, but keeping the average structure consistent with the C-centering symmetry, in agreement with ADT results.

  20. Sub-phonon-period compression of electron pulses for atomic diffraction.

    PubMed

    Gliserin, A; Walbran, M; Krausz, F; Baum, P

    2015-01-01

    Visualizing the rearrangement of atoms in a wide range of molecular and condensed-matter systems requires resolving picometre displacements on a 10-fs timescale, which is achievable using pump-probe diffraction, given short enough pulses. Here we demonstrate the compression of single-electron pulses with a de Broglie wavelength of 0.08 ångström to a full-width at half-maximum duration of 28 fs or equivalently 12-fs root-mean square, substantially shorter than most phonon periods and molecular normal modes. Atomic resolution diffraction from a complex organic molecule is obtained with good signal-to-noise ratio within a data acquisition period of minutes. The electron-laser timing is found to be stable within 5 fs (s.d.) over several hours, allowing pump-probe diffraction at repetitive excitation. These measurements show the feasibility of laser-pump/electron-probe scans that can resolve the fastest atomic motions relevant in reversible condensed-matter transformations and organic chemistry. PMID:26502750

  1. X-ray laser-induced electron dynamics observed by femtosecond diffraction from nanocrystals of Buckminsterfullerene.

    PubMed

    Abbey, Brian; Dilanian, Ruben A; Darmanin, Connie; Ryan, Rebecca A; Putkunz, Corey T; Martin, Andrew V; Wood, David; Streltsov, Victor; Jones, Michael W M; Gaffney, Naylyn; Hofmann, Felix; Williams, Garth J; Boutet, Sébastien; Messerschmidt, Marc; Seibert, M Marvin; Williams, Sophie; Curwood, Evan; Balaur, Eugeniu; Peele, Andrew G; Nugent, Keith A; Quiney, Harry M

    2016-09-01

    X-ray free-electron lasers (XFELs) deliver x-ray pulses with a coherent flux that is approximately eight orders of magnitude greater than that available from a modern third-generation synchrotron source. The power density of an XFEL pulse may be so high that it can modify the electronic properties of a sample on a femtosecond time scale. Exploration of the interaction of intense coherent x-ray pulses and matter is both of intrinsic scientific interest and of critical importance to the interpretation of experiments that probe the structures of materials using high-brightness femtosecond XFEL pulses. We report observations of the diffraction of extremely intense 32-fs nanofocused x-ray pulses by a powder sample of crystalline C60. We find that the diffraction pattern at the highest available incident power significantly differs from the one obtained using either third-generation synchrotron sources or XFEL sources operating at low output power and does not correspond to the diffraction pattern expected from any known phase of crystalline C60. We interpret these data as evidence of a long-range, coherent dynamic electronic distortion that is driven by the interaction of the periodic array of C60 molecular targets with intense x-ray pulses of femtosecond duration. PMID:27626076

  2. Molecular geometry of 2-nitrotoluene from gas phase electron diffraction and quantum chemical study

    NASA Astrophysics Data System (ADS)

    Shishkov, Igor F.; Vilkov, Lev V.; Kovács, Attila; Hargittai, István

    1998-04-01

    The molecular geometry of 2-nitrotoluene has been determined by gas phase electron diffraction and quantum chemical computations at the MP2/6-31G∗ and Becke3-Lee-Yang-Parr (B3-LYP)/6-31G∗ levels of theory. Computed differences in CC bond lengths were utilized as constraints in the electron diffraction structure analysis. The scaled B3-LYP/6-31G∗ force field was used to generate the initial set of vibrational amplitudes. The electron diffraction study yielded the following bond lengths ( rg) and bond angles: C 1C 2, 1.405(8) Å; NO, 1.231(3) Å; C 1C 7, 1.508(8) Å; CN, 1.490(9) Å; C 7C 1C 2, 127.3(7)°; NC 2C 3, 113.8(6)°; C 1C 2C 3, 124.2(9)°; C 6C 1C 2, 114.8(6)°; C 5C 6C 1, 123.1(10)°; O-N-O, 124.9(3)°; ϕ(CN), 38(1)°. The structural features of the molecule point to steric interactions prevailing between the methyl and nitro groups.

  3. Radiochromic 3D Detectors

    NASA Astrophysics Data System (ADS)

    Oldham, Mark

    2015-01-01

    Radiochromic materials exhibit a colour change when exposed to ionising radiation. Radiochromic film has been used for clinical dosimetry for many years and increasingly so recently, as films of higher sensitivities have become available. The two principle advantages of radiochromic dosimetry include greater tissue equivalence (radiologically) and the lack of requirement for development of the colour change. In a radiochromic material, the colour change arises direct from ionising interactions affecting dye molecules, without requiring any latent chemical, optical or thermal development, with important implications for increased accuracy and convenience. It is only relatively recently however, that 3D radiochromic dosimetry has become possible. In this article we review recent developments and the current state-of-the-art of 3D radiochromic dosimetry, and the potential for a more comprehensive solution for the verification of complex radiation therapy treatments, and 3D dose measurement in general.

  4. Measuring electrostatic potential profiles across amorphous intergranular films by electron diffraction.

    PubMed

    Koch, Christoph T; Bhattacharyya, Somnath; Rühle, Manfred; Satet, Raphaëlle L; Hoffmann, Michael J

    2006-04-01

    Amorphous 1-2-nm-wide intergranular films in ceramics dictate many of their properties. The detailed investigation of structure and chemistry of these films pushes the limits of today's transmission electron microscopy. We report on the reconstruction of the one-dimensional potential profile across the film from an experimentally acquired tilt series of energy-filtered electron diffraction patterns. Along with the potential profile, the specimen thickness, film orientation with respect to the grain lattice and specimen surface, and the absolute specimen orientation with respect to the laboratory frame of reference are retrieved. PMID:17481353

  5. Diffractive optical elements on non-flat substrates using electron beam lithography

    NASA Technical Reports Server (NTRS)

    Maker, Paul D. (Inventor); Muller, Richard E. (Inventor); Wilson, Daniel W. (Inventor)

    2002-01-01

    The present disclosure describes a technique for creating diffraction gratings on curved surfaces with electron beam lithography. The curved surface can act as an optical element to produce flat and aberration-free images in imaging spectrometers. In addition, the fabrication technique can modify the power structure of the grating orders so that there is more energy in the first order than for a typical grating. The inventors noticed that by using electron-beam lithography techniques, a variety of convex gratings that are well-suited to the requirements of imaging spectrometers can be manufactured.

  6. Bootstrapping 3D fermions

    NASA Astrophysics Data System (ADS)

    Iliesiu, Luca; Kos, Filip; Poland, David; Pufu, Silviu S.; Simmons-Duffin, David; Yacoby, Ran

    2016-03-01

    We study the conformal bootstrap for a 4-point function of fermions < ψψψψ> in 3D. We first introduce an embedding formalism for 3D spinors and compute the conformal blocks appearing in fermion 4-point functions. Using these results, we find general bounds on the dimensions of operators appearing in the ψ × ψ OPE, and also on the central charge C T . We observe features in our bounds that coincide with scaling dimensions in the GrossNeveu models at large N . We also speculate that other features could coincide with a fermionic CFT containing no relevant scalar operators.

  7. Concerted electron and proton transfer in ionic crystals mapped by femtosecond x-ray powder diffraction

    SciTech Connect

    Woerner, Michael; Zamponi, Flavio; Ansari, Zunaira; Dreyer, Jens; Freyer, Benjamin; Premont-Schwarz, Mirabelle; Elsaesser, Thomas

    2010-08-14

    X-ray powder diffraction, a fundamental technique of structure research in physics, chemistry, and biology, is extended into the femtosecond time domain of atomic motions. This allows for mapping (macro)molecular structure generated by basic chemical and biological processes and for deriving transient electronic charge density maps. In the experiments, the transient intensity and angular positions of up to 20 Debye Scherrer reflections from a polycrystalline powder are measured and atomic positions and charge density maps are determined with a combined spatial and temporal resolutions of 30 pm and 100 fs. We present evidence for the so far unknown concerted transfer of electrons and protons in a prototype material, the hydrogen-bonded ionic ammonium sulfate [(NH{sub 4}){sub 2}SO{sub 4}]. Photoexcitation of ammonium sulfate induces a sub-100 fs electron transfer from the sulfate groups into a highly confined electron channel along the c-axis of the unit cell. The latter geometry is stabilized by transferring protons from the adjacent ammonium groups into the channel. Time-dependent charge density maps derived from the diffraction data display a periodic modulation of the channel's charge density by low-frequency lattice motions with a concerted electron and proton motion between the channel and the initial proton binding site. Our results set the stage for femtosecond structure studies in a wide class of (bio)molecular materials.

  8. High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)

    SciTech Connect

    Wright, Corey; Holmes, Joshua; Nibler, Joseph W.; Hedberg, Kenneth; White, James D.; Hedberg, Lise; Weber, Alfons; Blake, Thomas A.

    2013-05-16

    Combined high-resolution spectroscopic, electron-diffraction, and quantum theoretical methods are particularly advantageous for small molecules of high symmetry and can yield accurate structures that reveal subtle effects of electron delocalization on molecular bonds. The smallest of the radialene compounds, trimethylenecyclopropane, [3]-radialene, has been synthesized and examined in the gas phase by these methods. The first high-resolution infrared spectra have been obtained for this molecule of D3h symmetry, leading to an accurate B0 rotational constant value of 0.1378629(8) cm-1, within 0.5% of the value obtained from electronic structure calculations (density functional theory (DFT) B3LYP/cc-pVTZ). This result is employed in an analysis of electron-diffraction data to obtain the rz bond lengths (in Å): C-H = 1.072 (17), C-C = 1.437 (4), and C=C = 1.330 (4). The analysis does not lead to an accurate value of the HCH angle; however, from comparisons of theoretical and experimental angles for similar compounds, the theoretical prediction of 117.5° is believed to be reliable to within 2°. The effect of electron delocalization in radialene is to reduce the single C-C bond length by 0.07 Å compared to that in cyclopropane.

  9. DNA Damage Induced by Low-Energy Electrons: Electron Transfer and Diffraction

    NASA Astrophysics Data System (ADS)

    Zheng, Yi; Wagner, J. Richard; Sanche, Léon

    2006-05-01

    Thin films of the short single strand of DNA, GCAT, in which guanine (G) or adenine (A) have been removed, were bombarded under vacuum by 4 to 15 eV electrons. The fragments corresponding to base release and strand breaks (SB) were analyzed by high performance liquid chromatography and their yields compared with those obtained from unmodified GCAT. From such a comparison, it is shown that, using GCAT as a model system, (1) most SB result from electron capture by DNA bases followed by electron transfer to the phosphate group and (2) the initial capture probability depends on the coherence of the electron wave within the tetramer.

  10. DNA Damage Induced by Low-Energy Electrons: Electron Transfer and Diffraction

    SciTech Connect

    Zheng Yi; Wagner, J. Richard; Sanche, Leon

    2006-05-26

    Thin films of the short single strand of DNA, GCAT, in which guanine (G) or adenine (A) have been removed, were bombarded under vacuum by 4 to 15 eV electrons. The fragments corresponding to base release and strand breaks (SB) were analyzed by high performance liquid chromatography and their yields compared with those obtained from unmodified GCAT. From such a comparison, it is shown that, using GCAT as a model system (1) most SB result from electron capture by DNA bases followed by electron transfer to the phosphate group and (2) the initial capture probability depends on the coherence of the electron wave within the tetramer.

  11. Conventional transmission electron microscopy imaging beyond the diffraction and information limits.

    PubMed

    Rosenauer, Andreas; Krause, Florian F; Müller, Knut; Schowalter, Marco; Mehrtens, Thorsten

    2014-08-29

    There are mainly two complementary imaging modes in transmission electron microscopy (TEM): Conventional TEM (CTEM) and scanning TEM (STEM). In the CTEM mode the specimen is illuminated with a plane electron wave, and the direct image formed by the objective lens is recorded in the image plane. STEM is based on scanning the specimen surface with a focused electron beam and collecting scattered electrons with an extended disk or ring-shaped detector. Here we show that combination of CTEM imaging with STEM illumination generally allows extending the point resolution of CTEM imaging beyond the diffraction limit. This new imaging mode improves imaging characteristics, is more robust against chromatic aberration, exhibits direct structural imaging with superior precision, visualizes light elements with excellent contrast, and even allows us to overcome the conventional information limit of a microscope. PMID:25215995

  12. Doubly-excited {sup 1,3}D{sup e} resonance states of two-electron positive ions Li{sup +} and Be{sup 2+} in Debye plasmas

    SciTech Connect

    Kar, Sabyasachi; Wang, Yang; Jiang, Zishi; Li, Shuxia; Ratnavelu, K.

    2014-01-15

    We investigate the bound {sup 1,3}D states and the doubly-excited {sup 1,3}D{sup e} resonance states of two-electron positive ions Li{sup +} and Be{sup 2+} by employing correlated exponential wave functions. In the framework of the stabilization method, we are able to extract three series (2pnp, 2snd, 2pnf) of {sup 1}D{sup e} resonances and two series (2pnp, 2snd) of {sup 3}D{sup e} resonances below the N = 2 threshold. The {sup 1,3}D{sup e} resonance parameters (resonance energies and widths) for Li{sup +} and Be{sup 2+} along with the bound-excited 1s3d {sup 1,3}D state energies are reported for the first time as functions of the screening parameter. Accurate resonance energies and widths are also reported for Li{sup +} and Be{sup 2+} in vacuum. For free-atomic cases, comparisons are made with the reported results and few resonance states are reported for the first time.

  13. 3D light scanning macrography.

    PubMed

    Huber, D; Keller, M; Robert, D

    2001-08-01

    The technique of 3D light scanning macrography permits the non-invasive surface scanning of small specimens at magnifications up to 200x. Obviating both the problem of limited depth of field inherent to conventional close-up macrophotography and the metallic coating required by scanning electron microscopy, 3D light scanning macrography provides three-dimensional digital images of intact specimens without the loss of colour, texture and transparency information. This newly developed technique offers a versatile, portable and cost-efficient method for the non-invasive digital and photographic documentation of small objects. Computer controlled device operation and digital image acquisition facilitate fast and accurate quantitative morphometric investigations, and the technique offers a broad field of research and educational applications in biological, medical and materials sciences. PMID:11489078

  14. Extracting conformational structure information of benzene molecules via laser-induced electron diffraction.

    PubMed

    Ito, Yuta; Wang, Chuncheng; Le, Anh-Thu; Okunishi, Misaki; Ding, Dajun; Lin, C D; Ueda, Kiyoshi

    2016-05-01

    We have measured the angular distributions of high energy photoelectrons of benzene molecules generated by intense infrared femtosecond laser pulses. These electrons arise from the elastic collisions between the benzene ions with the previously tunnel-ionized electrons that have been driven back by the laser field. Theory shows that laser-free elastic differential cross sections (DCSs) can be extracted from these photoelectrons, and the DCS can be used to retrieve the bond lengths of gas-phase molecules similar to the conventional electron diffraction method. From our experimental results, we have obtained the C-C and C-H bond lengths of benzene with a spatial resolution of about 10 pm. Our results demonstrate that laser induced electron diffraction (LIED) experiments can be carried out with the present-day ultrafast intense lasers already. Looking ahead, with aligned or oriented molecules, more complete spatial information of the molecule can be obtained from LIED, and applying LIED to probe photo-excited molecules, a "molecular movie" of the dynamic system may be created with sub-Ångström spatial and few-ten femtosecond temporal resolutions. PMID:27462650

  15. Extracting conformational structure information of benzene molecules via laser-induced electron diffraction

    PubMed Central

    Ito, Yuta; Wang, Chuncheng; Le, Anh-Thu; Okunishi, Misaki; Ding, Dajun; Lin, C. D.; Ueda, Kiyoshi

    2016-01-01

    We have measured the angular distributions of high energy photoelectrons of benzene molecules generated by intense infrared femtosecond laser pulses. These electrons arise from the elastic collisions between the benzene ions with the previously tunnel-ionized electrons that have been driven back by the laser field. Theory shows that laser-free elastic differential cross sections (DCSs) can be extracted from these photoelectrons, and the DCS can be used to retrieve the bond lengths of gas-phase molecules similar to the conventional electron diffraction method. From our experimental results, we have obtained the C-C and C-H bond lengths of benzene with a spatial resolution of about 10 pm. Our results demonstrate that laser induced electron diffraction (LIED) experiments can be carried out with the present-day ultrafast intense lasers already. Looking ahead, with aligned or oriented molecules, more complete spatial information of the molecule can be obtained from LIED, and applying LIED to probe photo-excited molecules, a “molecular movie” of the dynamic system may be created with sub-Ångström spatial and few-ten femtosecond temporal resolutions. PMID:27462650

  16. Extracting conformational structure information of benzene molecules via laser-induced electron diffraction

    DOE PAGESBeta

    Ito, Yuta; Wang, Chuncheng; Le, Anh-Thu; Okunishi, Misaki; Ding, Dajun; Lin, C. D.; Ueda, Kiyoshi

    2016-05-01

    Here, we have measured the angular distributions of high energy photoelectrons of benzene molecules generated by intense infrared femtosecond laser pulses. These electrons arise from the elastic collisions between the benzene ions with the previously tunnel-ionized electrons that have been driven back by the laser field. Theory shows that laser-free elastic differential cross sections (DCSs) can be extracted from these photoelectrons, and the DCS can be used to retrieve the bond lengths of gas-phase molecules similar to the conventional electron diffraction method. From our experimental results, we have obtained the C-C and C-H bond lengths of benzene with a spatialmore » resolution of about 10 pm. Our results demonstrate that laser induced electron diffraction (LIED) experiments can be carried out with the present-day ultrafast intense lasers already. Looking ahead, with aligned or oriented molecules, more complete spatial information of the molecule can be obtained from LIED, and applying LIED to probe photo-excited molecules, a “molecular movie” of the dynamic system may be created with sub-A°ngstrom spatial and few-ten femtosecond temporal resolutions.« less

  17. Bunch evolution study in optimization of MeV ultrafast electron diffraction

    NASA Astrophysics Data System (ADS)

    Lu, Xian-Hai; Du, Ying-Chao; Huang, Wen-Hui; Tang, Chuan-Xiang

    2014-12-01

    Megaelectronvolt ultrafast electron diffraction (UED) is a promising detection tool for ultrafast processes. The quality of diffraction image is determined by the transverse evolution of the probe bunch. In this paper, we study the contributing terms of the emittance and space charge effects to the bunch evolution in the MeV UED scheme, employing a mean-field model with an ellipsoidal distribution as well as particle tracking simulation. The small transverse dimension of the drive laser is found to be critical to improve the reciprocal resolution, exploiting both smaller emittance and larger transverse bunch size before the solenoid. The degradation of the reciprocal spatial resolution caused by the space charge effects should be carefully controlled.

  18. Development of an ellipse fitting method with which to analyse selected area electron diffraction patterns.

    PubMed

    Mitchell, D R G; Van den Berg, J A

    2016-01-01

    A software method has been developed which uses ellipse fitting to analyse electron diffraction patterns from polycrystalline materials. The method, which requires minimal user input, can determine the pattern centre and the diameter of diffraction rings with sub-pixel precision. This enables accurate crystallographic information to be obtained in a rapid and consistent manner. Since the method fits ellipses, it can detect, quantify and correct any elliptical distortion introduced by the imaging system. Distortion information derived from polycrystalline patterns as a function of camera length can be subsequently recalled and applied to single crystal patterns, resulting in improved precision and accuracy. The method has been implemented as a plugin for the DigitalMicrograph software by Gatan, and is a freely available via the internet. PMID:26495808

  19. Spectrometer for hard X-ray free-electron laser based on diffraction focusing.

    PubMed

    Kohn, V G; Gorobtsov, O Y; Vartanyants, I A

    2013-03-01

    X-ray free-electron lasers (XFELs) generate sequences of ultra-short spatially coherent pulses of X-ray radiation. A diffraction focusing spectrometer (DFS), which is able to measure the whole energy spectrum of the radiation of a single XFEL pulse with an energy resolution of ΔE/E 2 × 10(-6), is proposed. This is much better than for most modern X-ray spectrometers. Such resolution allows one to resolve the fine spectral structure of the XFEL pulse. The effect of diffraction focusing occurs in a single-crystal plate due to dynamical scattering, and is similar to focusing in a Pendry lens made from a metamaterial with a negative refraction index. Such a spectrometer is easier to operate than those based on bent crystals. It is shown that the DFS can be used in a wide energy range from 5 keV to 20 keV. PMID:23412482

  20. Reconstruction of two-dimensional molecular structure with laser-induced electron diffraction from laser-aligned polyatomic molecules

    DOE PAGESBeta

    Yu, Chao; Wei, Hui; Wang, Xu; Le, Anh -Thu; Lu, Ruifeng; Lin, C. D.

    2015-10-27

    Imaging the transient process of molecules has been a basic way to investigate photochemical reactions and dynamics. Based on laser-induced electron diffraction and partial one-dimensional molecular alignment, here we provide two effective methods for reconstructing two-dimensional structure of polyatomic molecules. We demonstrate that electron diffraction images in both scattering angles and broadband energy can be utilized to retrieve complementary structure information, including positions of light atoms. Lastly, with picometre spatial resolution and the inherent femtosecond temporal resolution of lasers, laser-induced electron diffraction method offers significant opportunities for probing atomic motion in a large molecule in a typical pump-probe measurement.

  1. Reconstruction of two-dimensional molecular structure with laser-induced electron diffraction from laser-aligned polyatomic molecules

    PubMed Central

    Yu, Chao; Wei, Hui; Wang, Xu; Le, Anh-Thu; Lu, Ruifeng; Lin, C. D.

    2015-01-01

    Imaging the transient process of molecules has been a basic way to investigate photochemical reactions and dynamics. Based on laser-induced electron diffraction and partial one-dimensional molecular alignment, here we provide two effective methods for reconstructing two-dimensional structure of polyatomic molecules. We demonstrate that electron diffraction images in both scattering angles and broadband energy can be utilized to retrieve complementary structure information, including positions of light atoms. With picometre spatial resolution and the inherent femtosecond temporal resolution of lasers, laser-induced electron diffraction method offers significant opportunities for probing atomic motion in a large molecule in a typical pump-probe measurement. PMID:26503116

  2. Strain mapping for the semiconductor industry by dark-field electron holography and nanobeam electron diffraction with nm resolution

    NASA Astrophysics Data System (ADS)

    Cooper, David; Béché, Armand; Hartmann, Jean Michel; Carron, Veronique; Rouvière, Jean-Luc

    2010-09-01

    There is a requirement of the semiconductor industry to measure strain in semiconductor devices with nm-scale resolution. Here we show that dark-field electron holography and nanobeam electron diffraction (NBED) are both complementary techniques that can be used to determine the strain in these devices. We show two-dimensional strain maps acquired by dark holography and line profiles that have been acquired by NBED of recessed SiGe sources and drains with a variety of different gate lengths and Ge concentrations. We have also used dark-field electron holography to measure the evolution in strain during the silicidation process, showing that this can reduce the applied uniaxial compressive strain in the conduction channel by up to a factor of 3.

  3. Strain mapping at nanometer resolution using advanced nano-beam electron diffraction

    SciTech Connect

    Ozdol, V. B.; Ercius, P.; Ophus, C.; Ciston, J.; Gammer, C. E-mail: aminor@lbl.gov; Jin, X. G.; Minor, A. M. E-mail: aminor@lbl.gov

    2015-06-22

    We report on the development of a nanometer scale strain mapping technique by means of scanning nano-beam electron diffraction. Only recently possible due to fast acquisition with a direct electron detector, this technique allows for strain mapping with a high precision of 0.1% at a lateral resolution of 1 nm for a large field of view reaching up to 1 μm. We demonstrate its application to a technologically relevant strain-engineered GaAs/GaAsP hetero-structure and show that the method can even be applied to highly defected regions with substantial changes in local crystal orientation. Strain maps derived from atomically resolved scanning transmission electron microscopy images were used to validate the accuracy, precision and resolution of this versatile technique.

  4. Diffraction in resonant electron scattering from helical macromolecules: Effects of the DNA backbone

    SciTech Connect

    Caron, Laurent; Sanche, Leon

    2005-09-15

    We recently developed a theoretical framework to treat low-energy electron scattering from helical macromolecules. In this article, we use this framework to extend our previous model of simple base-pair scatterers, organized into the DNA structure, to include the backbone. The internal diffraction pattern due to base pairs is still present, but addition of the backbone screens the base pairs by a factor of 2. More interestingly, the effect of constructive interference on the phosphate groups within the backbone itself is seen to be strong at lower energies. We perform a calculation for electrons incident perpendicular and parallel to the axis of a fragment and find comparable electron patterns on the phosphate groups at the surface of films consisting of vertically or horizontally arranged segments relative to the substrate.

  5. Improving spatial resolution of convergent beam electron diffraction strain mapping in silicon microstructures

    SciTech Connect

    Armigliato, A.; Balboni, R.; Frabboni, S.

    2005-02-07

    Despite the use of nanometer-sized probes in field emission transmission electron microscopes, the spatial resolution in strain analysis performed by convergent beam electron diffraction is limited in one direction by the need for tilting the cross-sectional sample in the electron microscope off the vertical <110> direction. We demonstrate that it is possible to improve this resolution by using the <340> zone axis, instead of the <230> one, which has recently become of common use in the analysis of silicon microdevices. Quantitative strain information with good sensitivity and accuracy can be obtained in the new axis. An example of application to the two-dimensional strain mapping in shallow trench isolation structures, obtained with a scanning attachment and a high-angle annular dark-field detector, is reported.

  6. Experimental demonstration of high quality MeV ultrafast electron diffraction.

    PubMed

    Li, Renkai; Tang, Chuanxiang; Du, Yingchao; Huang, Wenhui; Du, Qiang; Shi, Jiaru; Yan, Lixin; Wang, Xijie

    2009-08-01

    The simulation optimization and an experimental demonstration of improved performances of mega-electron-volt ultrafast electron diffraction (MeV UED) are reported in this paper. Using ultrashort high quality electron pulses from an S-band photocathode rf gun and a polycrystalline aluminum foil as the sample, we experimentally demonstrated an improved spatial resolution of MeV UED, in which the Debye-Scherrer rings of the (111) and (200) planes were clearly resolved. This result showed that MeV UED is capable to achieve an atomic level spatial resolution and a approximately 100 fs temporal resolution simultaneously, and will be a unique tool for ultrafast structural dynamics studies. PMID:19725647

  7. A Medipix quantum area detector allows rotation electron diffraction data collection from submicrometre three-dimensional protein crystals

    SciTech Connect

    Nederlof, Igor; Genderen, Eric van; Li, Yao-Wang; Abrahams, Jan Pieter

    2013-07-01

    An ultrasensitive Medipix2 detector allowed the collection of rotation electron-diffraction data from single three-dimensional protein nanocrystals for the first time. The data could be analysed using the standard X-ray crystallography programs MOSFLM and SCALA. When protein crystals are submicrometre-sized, X-ray radiation damage precludes conventional diffraction data collection. For crystals that are of the order of 100 nm in size, at best only single-shot diffraction patterns can be collected and rotation data collection has not been possible, irrespective of the diffraction technique used. Here, it is shown that at a very low electron dose (at most 0.1 e{sup −} Å{sup −2}), a Medipix2 quantum area detector is sufficiently sensitive to allow the collection of a 30-frame rotation series of 200 keV electron-diffraction data from a single ∼100 nm thick protein crystal. A highly parallel 200 keV electron beam (λ = 0.025 Å) allowed observation of the curvature of the Ewald sphere at low resolution, indicating a combined mosaic spread/beam divergence of at most 0.4°. This result shows that volumes of crystal with low mosaicity can be pinpointed in electron diffraction. It is also shown that strategies and data-analysis software (MOSFLM and SCALA) from X-ray protein crystallography can be used in principle for analysing electron-diffraction data from three-dimensional nanocrystals of proteins.

  8. Mediated resonance effect of the vanadium 3d states on phase stability in the Al8V5 γ -brass studied by first-principles FLAPW and LMTO-ASA electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Mizutani, U.; Asahi, R.; Sato, H.; Takeuchi, T.

    2006-12-01

    The mechanism for the stability of the Al8V5γ -brass containing 52 atoms in its cubic unit cell has been investigated by means of first-principles full-potential linearized augmented plane wave (FLAPW) and linearized muffin-tin orbital-atomic sphere approximation (LMTO-ASA) electronic structure calculations. The LMTO-ASA identified a deep valley at 0.5eV above the Fermi level in its density of states (DOS) as arising from orbital hybridizations between V 3d and Al 3p states. On the other hand, the FLAPW revealed the V 3d states mediated resonance of electrons with different sets of lattice planes. The resonance involved is found to be substantial not only at ∣G∣2=18 or {330} and {411} zones but also at those in the range 14⩽∣G∣2⩽30 . A comparison with the electronic structure of the CsCl-type AlV compound proved that the V 3d states mediated resonance occurs only in Al8V5 but not in AlV compound. The V 3d states mediated resonance is proved to result in a significant suppression of the sp -partial DOS over the energy range from the Fermi level up to +2.2eV . A gain in the electronic energy has been attributed to the formation of highly condensed bonding states below the Fermi level, again caused by the V 3d states mediated resonance. It is also proposed that the Al8V5 is stabilized at e/a=1.94 rather than 21/13 as is expected from the Hume-Rothery electron concentration rule.

  9. Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase identification and structure solution of powders

    PubMed Central

    Yun, Yifeng; Zou, Xiaodong; Hovmöller, Sven; Wan, Wei

    2015-01-01

    Phase identification and structure determination are important and widely used techniques in chemistry, physics and materials science. Recently, two methods for automated three-dimensional electron diffraction (ED) data collection, namely automated diffraction tomography (ADT) and rotation electron diffraction (RED), have been developed. Compared with X-ray diffraction (XRD) and two-dimensional zonal ED, three-dimensional ED methods have many advantages in identifying phases and determining unknown structures. Almost complete three-dimensional ED data can be collected using the ADT and RED methods. Since each ED pattern is usually measured off the zone axes by three-dimensional ED methods, dynamic effects are much reduced compared with zonal ED patterns. Data collection is easy and fast, and can start at any arbitrary orientation of the crystal, which facilitates automation. Three-dimensional ED is a powerful technique for structure identification and structure solution from individual nano- or micron-sized particles, while powder X-ray diffraction (PXRD) provides information from all phases present in a sample. ED suffers from dynamic scattering, while PXRD data are kinematic. Three-dimensional ED methods and PXRD are complementary and their combinations are promising for studying multiphase samples and complicated crystal structures. Here, two three-dimensional ED methods, ADT and RED, are described. Examples are given of combinations of three-dimensional ED methods and PXRD for phase identification and structure determination over a large number of different materials, from Ni–Se–O–Cl crystals, zeolites, germanates, metal–organic frameworks and organic compounds to intermetallics with modulated structures. It is shown that three-dimensional ED is now as feasible as X-ray diffraction for phase identification and structure solution, but still needs further development in order to be as accurate as X-ray diffraction. It is expected that three-dimensional ED

  10. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties.

    PubMed

    Jaffe, Adam; Lin, Yu; Beavers, Christine M; Voss, Johannes; Mao, Wendy L; Karunadasa, Hemamala I

    2016-04-27

    We report the first high-pressure single-crystal structures of hybrid perovskites. The crystalline semiconductors (MA)PbX3 (MA = CH3NH3 (+), X = Br(-) or I(-)) afford us the rare opportunity of understanding how compression modulates their structures and thereby their optoelectronic properties. Using atomic coordinates obtained from high-pressure single-crystal X-ray diffraction we track the perovskites' precise structural evolution upon compression. These structural changes correlate well with pressure-dependent single-crystal photoluminescence (PL) spectra and high-pressure bandgaps derived from density functional theory. We further observe dramatic piezochromism where the solids become lighter in color and then transition to opaque black with compression. Indeed, electronic conductivity measurements of (MA)PbI3 obtained within a diamond-anvil cell show that the material's resistivity decreases by 3 orders of magnitude between 0 and 51 GPa. The activation energy for conduction at 51 GPa is only 13.2(3) meV, suggesting that the perovskite is approaching a metallic state. Furthermore, the pressure response of mixed-halide perovskites shows new luminescent states that emerge at elevated pressures. We recently reported that the perovskites (MA)Pb(Br x I1-x )3 (0.2 < x < 1) reversibly form light-induced trap states, which pin their PL to a low energy. This may explain the low voltages obtained from solar cells employing these absorbers. Our high-pressure PL data indicate that compression can mitigate this PL redshift and may afford higher steady-state voltages from these absorbers. These studies show that pressure can significantly alter the transport and thermodynamic properties of these technologically important semiconductors. PMID:27163050

  11. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties

    PubMed Central

    2016-01-01

    We report the first high-pressure single-crystal structures of hybrid perovskites. The crystalline semiconductors (MA)PbX3 (MA = CH3NH3+, X = Br– or I–) afford us the rare opportunity of understanding how compression modulates their structures and thereby their optoelectronic properties. Using atomic coordinates obtained from high-pressure single-crystal X-ray diffraction we track the perovskites’ precise structural evolution upon compression. These structural changes correlate well with pressure-dependent single-crystal photoluminescence (PL) spectra and high-pressure bandgaps derived from density functional theory. We further observe dramatic piezochromism where the solids become lighter in color and then transition to opaque black with compression. Indeed, electronic conductivity measurements of (MA)PbI3 obtained within a diamond-anvil cell show that the material’s resistivity decreases by 3 orders of magnitude between 0 and 51 GPa. The activation energy for conduction at 51 GPa is only 13.2(3) meV, suggesting that the perovskite is approaching a metallic state. Furthermore, the pressure response of mixed-halide perovskites shows new luminescent states that emerge at elevated pressures. We recently reported that the perovskites (MA)Pb(BrxI1–x)3 (0.2 < x < 1) reversibly form light-induced trap states, which pin their PL to a low energy. This may explain the low voltages obtained from solar cells employing these absorbers. Our high-pressure PL data indicate that compression can mitigate this PL redshift and may afford higher steady-state voltages from these absorbers. These studies show that pressure can significantly alter the transport and thermodynamic properties of these technologically important semiconductors. PMID:27163050

  12. 3D microscope

    NASA Astrophysics Data System (ADS)

    Iizuka, Keigo

    2008-02-01

    In order to circumvent the fact that only one observer can view the image from a stereoscopic microscope, an attachment was devised for displaying the 3D microscopic image on a large LCD monitor for viewing by multiple observers in real time. The principle of operation, design, fabrication, and performance are presented, along with tolerance measurements relating to the properties of the cellophane half-wave plate used in the design.

  13. Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

    NASA Astrophysics Data System (ADS)

    Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

    2014-11-01

    Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated Gaussian (ECG) functions are used in the calculations and their nonlinear parameters are optimized with the aid of the analytical energy gradient determined with respect to these parameters. The effect of the finite nuclear mass is directly included in the Hamiltonian used in the calculations. The singlet-triplet energy gaps between the corresponding 1D and 3D states, are reported.

  14. Holographic Inversion of Diffuse Electron Diffraction Intensities for the Ni(001)/K Structure

    NASA Astrophysics Data System (ADS)

    Heinz, K.; Wedler, H.

    At low temperatures many adsorbates arrange in lattice gas disorder on crystalline substrates. In a low energy electron diffraction (LEED) experiment this leads to diffuse intensities super-imposed on the sharp spots caused by the substrate. For the disordered adsorption system Ni(001)/K, we present two-dimensional intensity distributions as function of the electron energy and angle of incidence. They can be measured very fast (20 s per frame) and reliably using an automatic video based data acquisition technique. We show that diffuse intensity spectra DI(E) taken as function of energy for fixed surface parallel electron momentum transfer carry the information about the local adsorption structure. This is equivalent to conventional I(E) spectra taken for sharp spots. In the light of recent proposals it is shown that the diffuse single energy intensity pattern is not a hologram of the local structure because e.g. the reference wave is ill defined. However, the diffraction processes disturbing the pure reference wave cancel when the intensities of different energies are suitably averaged. It is demonstrated that the holographic reconstruction of real space information from such scanned energy data leads to reliable and well resolved atomic images. Full widths at half-maximum of such atomic images are not greater than 1 Å. Substrate atoms behind the reference atom in direction of the incident beam are imaged best. So, image reconstructions for different beam directions produce a full and high quality three-dimensional image of the local adsorption structure.

  15. Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries

    NASA Astrophysics Data System (ADS)

    Juchtmans, Roeland; Verbeeck, Jo

    2015-10-01

    In this work we present an alternative way to look at electron diffraction in a transmission electron microscope. Instead of writing the scattering amplitude in Fourier space as a set of plane waves, we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination.

  16. The effects of slipage and diffraction in long wavelength operation of a free electron laser

    SciTech Connect

    Zhulin, V.I.; Haselhoff, E.H.; Amersfoort, P.W. van

    1995-01-01

    The Free-Electron Laser user facility FELIX produces picosecond optical pulses in the wavelength range of 5-110 {mu}m. The proposed installation of a new undulator with a larger magnetic period would allow extension towards considerably larger wavelengths. This would result in the production of extremely short, far-infrared pulses, with a duration of a single optical period or even less. In order to investigate the pulse propagation for free-electron lasers operating in the long wavelength limit, a three-dimensional simulation code was developed. Using the FELIX parameters, with the addition of a long-period undulator, the effects of slippage, diffraction losses, changes in the filling factor, as well as the effects of the optical cavity geometry were studied for wavelengths up to 300 {mu}m, with electron pulses in the ps regime. It is shown that slippage effects are less restrictive for long wavelength operation than the increasing losses due to optical beam diffraction.

  17. Diffraction and holography with photoelectrons and Auger electrons: Some new directions

    SciTech Connect

    Fadley, C.S. Lawrence Berkeley Lab., CA )

    1992-06-01

    The current status of photoelectron and Auger-electron diffraction is reviewed, with emphasis on new directions of activity. The use of forward scattering in the study of adsorbed molecules, epitaxial overlayers, and clean surfaces is one of the most developed applications, and one that will become more powerful as higher energy resolution and perhaps spin analysis are used to resolve emitters on the basis of chemical state, position at a surface, or magnetic state. The use of larger data sets spanning a considerable fraction of the solid angle above a surface will also much enhance the structural information available, for example, in the growth of epitaxial layers or nanostructures on surfaces. Detailed fitting of experimental data to theoretical calculations based upon either single scattering or multiple scattering should also provide more rich structural information, including such parameters as substrate interlayer relaxation. Surface phase transitions in which near-surface layers become highly disordered can also be studied, with results that are complementary to those from such techniques as low energy electron diffraction and medium energy ion scattering. Short-range magnetic order also can be probed by somehow resolving the spin of the outgoing electrons, e.g. by using multiplet-split core levels.

  18. Crystallographic mapping of ferroelectric thin films using piezoresponse force microscopy and electron backscatter diffraction

    NASA Astrophysics Data System (ADS)

    Lowe, M.; Hegarty, T.; Mingard, K.; Li, J.; Cain, M.

    2008-08-01

    Ferroelectric lead zirconate titanate (PZT) thin films have been analysed using electron backscatter diffraction (EBSD). Grain orientation mapping has been demonstrated, showing that features smaller than 100 nm may be successfully indexed. In conjunction with piezoresponse force microscopy (PFM), which was used to map and quantify the piezoelectric response from the same region of the films with a resolution of 10 nm, an analysis of the effects of grain orientation on the measured response at the nanoscale was possible. The microtexture of the film showed the presence of both mono- and multi-domains within grains exhibiting sizes of hundreds of nanometres.

  19. Inversion of Dynamical Scattering from Large-Angle Rocking-Beam Electron Diffraction Patterns

    NASA Astrophysics Data System (ADS)

    Wang, Feng; Pennington, Robert S.; Koch, Christoph T.

    2016-07-01

    A method for ab initio structure factor retrieval from large-angle rocking-beam electron diffraction data of thin crystals is described and tested with experimental and simulated data. No additional information, such as atomicity or information about chemical composition, has been made use of. Our numerical experiments show that the inversion of dynamical scattering works best, if the beam tilt range is large and the specimen not too thick, because for moderate multiple scattering, the large tilt amplitude effectively removes local minima in this global optimization problem.

  20. Electron diffraction self-imaging of molecular fragmentation in two-step double ionization of water.

    PubMed

    Sann, H; Jahnke, T; Havermeier, T; Kreidi, K; Stuck, C; Meckel, M; Schöffler, M S; Neumann, N; Wallauer, R; Voss, S; Czasch, A; Jagutzki, O; Weber, Th; Schmidt-Böcking, H; Miyabe, S; Haxton, D J; Orel, A E; Rescigno, T N; Dörner, R

    2011-04-01

    We doubly ionize H(2)O by single photon absorption at 43 eV leading to H(+) + OH(+). A direct double ionization and a sequential process in which single ionization is followed by rapid dissociation into a proton and an autoionizing OH(*) are identified. The angular distribution of this delayed autoionization electron shows a preferred emission in the direction of the emitted proton. From this diffraction feature we obtain internuclear distances of 700 to 1100 a.u. at which the autoionization of the OH(*) occurs. The experimental findings are in line with calculations of the excited potential energy surfaces and their lifetimes. PMID:21517378