Sample records for atom hrtem insights

  1. HRTEM Imaging of Atoms at Sub-Angstrom Resolution

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    O' Keefe, Michael A.; Allard, Lawrence F.; Blom, Douglas A.


    John Cowley and his group at Arizona State University pioneered the use of transmission electron microscopy (TEM) for high-resolution imaging. Images were achieved three decades ago showing the crystal unit cell content at better than 4 Angstrom resolution. This achievement enabled researchers to pinpoint the positions of heavy atom columns within the unit cell. Lighter atoms appear as resolution is improved to sub-Angstrom levels. Currently, advanced microscopes can image the columns of the light atoms (carbon, oxygen, nitrogen) that are present in many complex structures, and even the lithium atoms present in some battery materials. Sub-Angstrom imaging, initially achieved by focal-series reconstruction of the specimen exit surface wave, will become common place for next-generation electron microscopes with CS-corrected lenses and monochromated electron beams. Resolution can be quantified in terms of peak separation and inter-peak minimum, but the limits imposed on the attainable resolution by the properties of the micro-scope specimen need to be considered. At extreme resolution the ''size'' of atoms can mean that they will not be resolved even when spaced farther apart than the resolution of the microscope.

  2. Chemical inhomogeneity in In{sub x}Ga{sub 1-x}N and ZnO. A HRTEM study on atomic scale clustering

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    Bartel, T.P.


    Nanostructuration as well as the nucleation and growth of nanoparticles pervades the development of modern materials and devices. Quantitative high resolution transmission electron microscopy (HRTEM) is currently being developed for a structural and chemical analysis at an atomic scale. It is used in this thesis to study the chemical inhomogeneity and clustering in In{sub x}Ga{sub 1-x}N, InN and ZnO. A methodology for reliable quantitative HRTEM is rst de ned: it necessitates a damage free sample, the avoidance of electron beam damage and the control of microscope instabilities. With these conditions satis ed, the reliability of quantitative HRTEM is demonstrated by an accurate measurement of lattice relaxation in a thin TEM sample. Clustering in an alloy can then be distinguished from a random distribution of atoms. In In{sub x}Ga{sub 1-x}N for instance, clustering is detected for concentrations x>0.1. The sensitivity is insufficient to determine whether clustering is present for lower concentrations. HRTEM allows to identify the amplitude and the spatial distribution of the decomposition which is attributed to a spinodal decomposition. In InN, nanometer scale metallic indium inclusions are detected. With decreasing size of the metallic clusters, the photoluminescence of the sample shifts towards the infrared. This indicates that the inclusions may be responsible for the infrared activity of InN. Finally, ZnO grown homoepitaxially on zinc-face and oxygen-face substrates is studied. The O-face epilayer is strained whereas the Zn-face epilayer is almost strain free and has a higher crystalline quality. Quantitative analysis of exit wave phases is in good agreement with simulations, but the signal to noise ratio needs to be improved for the detection of single point defects. (orig.)

  3. Photocatalytic mechanism of high-activity anatase TiO2 with exposed (001) facets from molecular-atomic scale: HRTEM and Raman studies (United States)

    Wu, Jun; Shi, Chentian; Zhang, Yupeng; Fu, Qiang; Pan, Chunxu


    Anatase TiO2 with a variant percentage of exposed (001) facets was prepared under hydrothermal processes by adjusting the volume of HF, and the photocatalytic mechanism was studied from atomic-molecular scale by HRTEM and Raman spectroscopy. It was revealed that: 1) From HRTEM observations, the surface of original TiO2 with exposed (001) facets was clean without impurity, and the crystal lattice was clear and completed; however, when mixed with methylene blue (MB) solution, there were many 1 nm molecular absorbed at the surface of TiO2; after the photocatalytic experiment, MB molecules disappeared and the TiO2 lattice image became fuzzy. 2) The broken path of the MB chemical bond was obtained by Raman spectroscopy, i.e., after the irradiation of the light, the vibrational mode of C-N-C disappeared due to the chemical bond breakage, and the groups containing C-N bond and carbon rings were gradually decomposed. Accordingly, we propose that the driving force for breaking the chemical bond and the disappearance of groups is from the surface lattice distortion of TiO2 during photocatalyzation.

  4. Quantitative atom column position analysis at the incommensurate interfaces of a (PbS){sub 1.14}NbS{sub 2} misfit layered compound with aberration-corrected HRTEM

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    Garbrecht, M., E-mail: [Microanalysis of Materials, Institute of Materials Science, University of Kiel, 24143 Kiel (Germany); Spiecker, E., E-mail: [Microanalysis of Materials, Institute of Materials Science, University of Kiel, 24143 Kiel (Germany); Tillmann, K. [Ernst Ruska-Centre and Institute for Solid State Research, Research Centre Juelich GmbH, 52425 Juelich (Germany); Jaeger, W. [Microanalysis of Materials, Institute of Materials Science, University of Kiel, 24143 Kiel (Germany)


    Aberration-corrected HRTEM is applied to explore the potential of NCSI contrast imaging to quantitatively analyse the complex atomic structure of misfit layered compounds and their incommensurate interfaces. Using the (PbS){sub 1.14}NbS{sub 2} misfit layered compound as a model system it is shown that atom column position analyses at the incommensurate interfaces can be performed with precisions reaching a statistical accuracy of {+-}6 pm. The procedure adopted for these studies compares experimental images taken from compound regions free of defects and interface modulations with a structure model derived from XRD experiments and with multi-slice image simulations for the corresponding NCSI contrast conditions used. The high precision achievable in such experiments is confirmed by a detailed quantitative analysis of the atom column positions at the incommensurate interfaces, proving a tetragonal distortion of the monochalcogenide sublattice. -- Research Highlights: {yields} Quantitative aberration-corrected HRTEM analysis of atomic column positions in (PbS){sub 1.14}NbS{sub 2} misfit layered compound reveals tetragonal distortion of the PbS subsystem. {yields} Detailed comparison of multi-slice simulations with the experimental NCSI contrast condition imaging results lead to a high precision (better than 10 pm) for determining the positions of atoms. {yields} Precision in gaining information of local structure at atomic scale is demonstrated, which may not be accessible by means of X-ray and neutron diffraction analysis.

  5. Automated Structure Detection in HRTEM Images: An Example with Graphene

    DEFF Research Database (Denmark)

    Kling, Jens; Vestergaard, Jacob Schack; Dahl, Anders Bjorholm

    analysis. Single-layer graphene with its regular honeycomb lattice is a perfect model structure to apply automated structure detection. By utilizing Fourier analysis the initial perfect hexagonal structure can easily be recognized. The recorded hexagonal tessellation reflects the unperturbed structure......Graphene, as the forefather of 2D-materials, attracts much attention due to its extraordinary properties like transparency, flexibility and outstanding high conductivity, together with a thickness of only one atom. The properties seem to be dependent on the atomic structure of graphene...... and therefore characterizations on the atomic level are of interest. High-resolution transmission electron microscopy (HRTEM) is a state-of-the-art method to characterize the atomic structure of materials. Due to the inherently low mass-thickness of graphene, the contrast levels in the recorded images are often...

  6. Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities. (United States)

    Stuyver, T; Fias, S; De Proft, F; Fowler, P W; Geerlings, P


    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

  7. Multislice simulations for in-situ HRTEM studies of nanostructured magnesium hydride at ambient hydrogen pressure

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    Surrey, Alexander, E-mail: [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Schultz, Ludwig [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany); Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden (Germany); Rellinghaus, Bernd, E-mail: [IFW Dresden, Institute for Metallic Materials, P.O. Box 270116, D-01171 Dresden (Germany)


    Highlights: • Multislice HRTEM contrast simulations of a windowed environmental cell. • Study of Mg and MgH2 nanocrystals as model system in hydrogen at ambient pressure. • Investigation of spatial resolution and contrast depending on specimen thickness, defocus, and hydrogen pressure. • Atomic resolution is expected for specimens as thin as 5  nm. - Abstract: The use of transmission electron microscopy (TEM) for the structural characterization of many nanostructured hydrides, which are relevant for solid state hydrogen storage, is hindered due to a rapid decomposition of the specimen upon irradiation with the electron beam. Environmental TEM allows to stabilize the hydrides by applying a hydrogen back pressure of up to 4.5 bar in a windowed environmental cell. The feasibility of high-resolution TEM (HRTEM) investigations of light weight metals and metal hydrides in such a “nanoreactor” is studied theoretically by means of multislice HRTEM contrast simulations using Mg and its hydride phase, MgH{sub 2}, as model system. Such a setup provides the general opportunity to study dehydrogenation and hydrogenation reactions at the nanoscale under technological application conditions. We analyze the dependence of both the spatial resolution and the HRTEM image contrast on parameters such as the defocus, the metal/hydride thickness, and the hydrogen pressure in order to explore the possibilities and limitations of in-situ experiments with windowed environmental cells. Such simulations may be highly valuable to pre-evaluate future experimental studies.

  8. HRTEM study of {alpha}-AlMnSi crystals including non-crystallographic projection axes

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    Song, G.L.; Bursill, L.A.


    The structure of {alpha}-AlMnSi is examined by atomic resolution high-resolution transmission electron microscopy (HRTEM) and computer-based image matching techniques. Six distinct zone axes are examined; including both normal crystallographic and non-crystallographic zones axes of the structural motifs, which have m3-bar 5 icosahedral symmetry. The results provide a sound basis for understanding HRTEM images of the quasicrystalline alloy i-AlMnSi; thus it was examined to what extent the requirements for obtaining so-called structure images of complex alloy structures may be met experimentally and define when the images may be reliably interpreted on the basis of computer simulation and image-matching at about 0.17nm resolution. Most difficulty was experienced in obtaining the experimental images, especially for the non-crystallographic zones, which are very sensitive to slight changes in orientation off the desired zone axis or projection, the rate at which the crystal thickness is increasing (wedge-angle) and the orientation of the surfaces of the specimen. Surface amorphous layers due to oxidation and/or electron-induced irradiation damage also limit the efficiency of the HRTEM analysis. For the thin specimens used for HRTEM, both the electron diffraction patterns and the HRTEM images are characteristic of Im3-bar space group symmetry. It is suggested that this Im3-bar symmetry may be an example of a statistical symmetry, where the local symmetry is close to Pm3-bar but the average symmetry is Im3-bar. The transition from Pm3-bar to Im3-bar may be understood in terms of an analysis of small changes in the outer shells of the large icosahedral structural elements which are located at the corners and body-centers of the cubic unit cell. 21 refs., 3 tabs., 10 figs.

  9. Atom-by-atom engineering of voltage-gated ion channels: Magnified insights into function and pharmacology

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Kim, Robin Y; Ahern, Christopher A


    Unnatural amino acid incorporation into ion channels has proven to be a valuable approach to interrogate detailed hypotheses arising from atomic resolution structures. In this short review, we provide a brief overview of some of the basic principles and methods for incorporation of unnatural amin...... acids into proteins. We also review insights into the function and pharmacology of voltage-gated ion channels that have emerged from unnatural amino acid mutagenesis approaches....

  10. On the influence of the electron dose rate on the HRTEM image contrast

    Energy Technology Data Exchange (ETDEWEB)

    Barthel, Juri, E-mail: [RWTH Aachen University, Ahornstraße 55, 52074 Aachen (Germany); Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Forschungszentrum Jülich GmbH, 52425 Jülich (Germany); Lentzen, Markus; Thust, Andreas [Peter Grünberg Institute, Forschungszentrum Jülich GmbH, 52425 Jülich (Germany); Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Forschungszentrum Jülich GmbH, 52425 Jülich (Germany)


    We investigate a possible dependence between the applied electron dose-rate and the magnitude of the resulting image contrast in HRTEM of inorganic crystalline objects. The present study is focussed on the question whether electron irradiation can induce excessively strong atom vibrations or displacements, which in turn could significantly reduce the resulting image contrast. For this purpose, high-resolution images of MgO, Ge, and Au samples were acquired with varying dose rates using a C{sub S}-corrected FEI Titan 80–300 microscope operated at 300 kV accelerating voltage. This investigation shows that the magnitude of the signal contrast is independent from the dose rates occurring in conventional HRTEM experiments and that excessively strong vibrations or displacements of bulk atoms are not induced by the applied electron irradiation. - Highlights: • No dependence between electron dose rate and HRTEM image contrast is found. • This finding is in full accordance with established solid-state physics theory. • Object-related causes for the previous Stobbs-factor phenomenon are ruled out.

  11. Novel insights into cardiomyocytes provided by atomic force microscopy. (United States)

    Borin, Daniele; Pecorari, Ilaria; Pena, Brisa; Sbaizero, Orfeo


    Cardiovascular diseases (CVDs) are the number one cause of death globally, therefore interest in studying aetiology, hallmarks, progress and therapies for these disorders is constantly growing. Over the last decades, the introduction and development of atomic force microscopy (AFM) technique allowed the study of biological samples at the micro- and nanoscopic level, hence revealing noteworthy details and paving the way for investigations on physiological and pathological conditions at cellular scale. The present work is aimed to collect and review the literature on cardiomyocytes (CMs) studied by AFM, in order to emphasise the numerous potentialities of this approach and provide a platform for researchers in the field of cardiovascular diseases. Original data are also presented to highlight the application of AFM to characterise the viscoelastic properties of CMs. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. HRTEM Microstructural Characterization of β-WO3 Thin Films Deposited by Reactive RF Magnetron Sputtering (United States)

    Faudoa-Arzate, A.; Arteaga-Durán, A.; Saenz-Hernández, R.J.; Botello-Zubiate, M.E.; Realyvazquez-Guevara, P.R.; Matutes-Aquino, J.A.


    Though tungsten trioxide (WO3) in bulk, nanosphere, and thin film samples has been extensively studied, few studies have been dedicated to the crystallographic structure of WO3 thin films. In this work, the evolution from amorphous WO3 thin films to crystalline WO3 thin films is discussed. WO3 thin films were fabricated on silicon substrates (Si/SiO2) by RF reactive magnetron sputtering. Once a thin film was deposited, two successive annealing treatments were made: an initial annealing at 400 °C for 6 h was followed by a second annealing at 350 °C for 1 h. Film characterization was carried out by X-ray diffraction (XRD), high-resolution electron transmission microscopy (HRTEM), scanning electron microscopy (SEM), and atomic force microscopy (AFM) techniques. The β-WO3 final phase grew in form of columnar crystals and its growth plane was determined by HRTEM. PMID:28772559

  13. Simulation of bonding effects in HRTEM images of light element materials

    Directory of Open Access Journals (Sweden)

    Simon Kurasch


    Full Text Available The accuracy of multislice high-resolution transmission electron microscopy (HRTEM simulation can be improved by calculating the scattering potential using density functional theory (DFT. This approach accounts for the fact that electrons in the specimen are redistributed according to their local chemical environment. This influences the scattering process and alters the absolute and relative contrast in the final image. For light element materials with well defined geometry, such as graphene and hexagonal boron nitride monolayers, the DFT based simulation scheme turned out to be necessary to prevent misinterpretation of weak signals, such as the identification of nitrogen substitutions in a graphene network. Furthermore, this implies that the HRTEM image does not only contain structural information (atom positions and atomic numbers. Instead, information on the electron charge distribution can be gained in addition.In order to produce meaningful results, the new input parameters need to be chosen carefully. Here we present details of the simulation process and discuss the influence of the main parameters on the final result. Furthermore we apply the simulation scheme to three model systems: A single atom boron and a single atom oxygen substitution in graphene and an oxygen adatom on graphene.

  14. HRTEM Study of the Role of Nanoparticles in ODS Ferritic Steel

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    Hsiung, L; Tumey, S; Fluss, M; Serruys, Y; Willaime, F


    Structures of nanoparticles and their role in dual-ion irradiated Fe-16Cr-4.5Al-0.3Ti-2W-0.37Y{sub 2}O{sub 3} (K3) ODS ferritic steel produced by mechanical alloying (MA) were studied using high-resolution transmission electron microscopy (HRTEM) techniques. The observation of Y{sub 4}Al{sub 2}O{sub 9} complex-oxide nanoparticles in the ODS steel imply that decomposition of Y{sub 2}O{sub 3} in association with internal oxidation of Al occurred during mechanical alloying. HRTEM observations of crystalline and partially crystalline nanoparticles larger than {approx}2 nm and amorphous cluster-domains smaller than {approx}2 nm provide an insight into the formation mechanism of nanoparticles/clusters in MA/ODS steels, which we believe involves solid-state amorphization and re-crystallization. The role of nanoparticles/clusters in suppressing radiation-induced swelling is revealed through TEM examinations of cavity distributions in (Fe + He) dual-ion irradiated K3-ODS steel. HRTEM observations of helium-filled cavities (helium bubbles) preferably trapped at nanoparticle/clusters in dual-ion irradiated K3-ODS are presented.

  15. Atomic Force Microscopy in Microbiology: New Structural and Functional Insights into the Microbial Cell Surface (United States)


    ABSTRACT Microbial cells sense and respond to their environment using their surface constituents. Therefore, understanding the assembly and biophysical properties of cell surface molecules is an important research topic. With its ability to observe living microbial cells at nanometer resolution and to manipulate single-cell surface molecules, atomic force microscopy (AFM) has emerged as a powerful tool in microbiology. Here, we survey major breakthroughs made in cell surface microbiology using AFM techniques, emphasizing the most recent structural and functional insights. PMID:25053785

  16. The Peak Pairs algorithm for strain mapping from HRTEM images

    Energy Technology Data Exchange (ETDEWEB)

    Galindo, Pedro L. [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Pol. Rio San Pedro s/n. 11510, Puerto Real, Cadiz (Spain)], E-mail:; Kret, Slawomir [Institute of Physics, PAS, AL. Lotnikow 32/46, 02-668 Warsaw (Poland); Sanchez, Ana M. [Departamento de Ciencia de los Materiales e Ing. Metalurgica y Q. Inorganica, Facultad de Ciencias, Universidad de Cadiz, Pol. Rio San Pedro s/n. 11510, Puerto Real, Cadiz (Spain); Laval, Jean-Yves [Laboratoire de Physique du Solide, UPR5 CNRS-ESPCI, Paris (France); Yanez, Andres; Pizarro, Joaquin; Guerrero, Elisa [Departamento de Lenguajes y Sistemas Informaticos, CASEM, Universidad de Cadiz, Pol. Rio San Pedro s/n. 11510, Puerto Real, Cadiz (Spain); Ben, Teresa; Molina, Sergio I. [Departamento de Ciencia de los Materiales e Ing. Metalurgica y Q. Inorganica, Facultad de Ciencias, Universidad de Cadiz, Pol. Rio San Pedro s/n. 11510, Puerto Real, Cadiz (Spain)


    Strain mapping is defined as a numerical image-processing technique that measures the local shifts of image details around a crystal defect with respect to the ideal, defect-free, positions in the bulk. Algorithms to map elastic strains from high-resolution transmission electron microscopy (HRTEM) images may be classified into two categories: those based on the detection of peaks of intensity in real space and the Geometric Phase approach, calculated in Fourier space. In this paper, we discuss both categories and propose an alternative real space algorithm (Peak Pairs) based on the detection of pairs of intensity maxima in an affine transformed space dependent on the reference area. In spite of the fact that it is a real space approach, the Peak Pairs algorithm exhibits good behaviour at heavily distorted defect cores, e.g. interfaces and dislocations. Quantitative results are reported from experiments to determine local strain in different types of semiconductor heterostructures.

  17. Experimental realization of suspended atomic chains composed of different atomic species

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    Bettini, Jefferson; Ugarte, Daniel [Laboratorio Nacional de Luz Sincrotron (LNLS), Campinas, SP (Brazil); Sato, Fernando; Galvao, Douglas Soares [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Fisica Gleb Wataghin; Coura, Pablo Zimmerman; Dantas, Socrates de Oliveira [Universidade Federal de Juiz de Fora (UFJF), MG (Brazil). Inst. de Ciencias Exatas. Dept. de Fisica


    We report high resolution transmission electron microscopy (HRTEM) and molecular dynamics results of the first experimental test of suspended atomic chains composed of different atomic species formed from spontaneous stretching of metallic nanowires. (author)

  18. Ceramic/metal nanocomposites by lyophilization: Processing and HRTEM study

    Energy Technology Data Exchange (ETDEWEB)

    Gutierrez-Gonzalez, C.F. [Centro de Investigacion en Nanomateriales y Nanotecnologia (CINN), Consejo Superior de Investigaciones Cientificas - CSIC - Universidad de Oviedo - UO - Principado de Asturias - PA, Parque Tecnologico de Asturias, 33428 Llanera (Spain); Agouram, S. [Department of Applied Physics and Electromagnetism, Universitat de Valencia, 46100 Burjassot (Spain); Torrecillas, R. [Centro de Investigacion en Nanomateriales y Nanotecnologia (CINN), Consejo Superior de Investigaciones Cientificas - CSIC - Universidad de Oviedo -UO - Principado de Asturias- PA, Parque Tecnologico de Asturias, 33428 Llanera (Spain); Moya, J.S. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas (ICMM-CSIC), Cantoblanco, 28049 Madrid (Spain); Lopez-Esteban, S., E-mail: [Centro de Investigacion en Nanomateriales y Nanotecnologia (CINN), Consejo Superior de Investigaciones Cientificas - CSIC - Universidad de Oviedo - UO - Principado de Asturias - PA, Parque Tecnologico de Asturias, 33428 Llanera (Spain)


    Highlights: Black-Right-Pointing-Pointer A cryogenic route has been used to obtain ceramic/metal nanostructured powders. Black-Right-Pointing-Pointer The powders present good homogeneity and dispersion of metal. Black-Right-Pointing-Pointer The metal nanoparticle size distributions are centred in 17-35 nm. Black-Right-Pointing-Pointer Both phases, ceramic and metal, present a high degree of crystallinity. Black-Right-Pointing-Pointer Good metal/ceramic interfaces due to epitaxial growth, studied by HRTEM. -- Abstract: This work describes a wet-processing route based on spray-freezing and subsequent lyophilization designed to obtain nanostructured ceramic/metal powders. Starting from the ceramic powder and the corresponding metal salt, a water-based suspension is sprayed on liquid nitrogen. The frozen powders are subsequently freeze-dried, calcined and reduced. The material was analyzed using X-ray diffraction analysis at all stages. High resolution transmission electron microscopy studies showed a uniform distribution of metal nanoparticles on the ceramic grain surfaces, good interfaces and high crystallinity, with an average metal particle size in the nanometric range.

  19. Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Lei, E-mail: [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Obot, Ime Bassey [Center of Research Excellence in Corrosion, King Fahd University of Petroleum and Minerals, Dhahran 31261 (Saudi Arabia); Zheng, Xingwen [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Shen, Xun [School of Material and Chemical Engieering, Tongren University, Tongren 554300 (China); Qiang, Yujie [Material Corrosion and Protection Key Laboratory of Sichuan province, Zigong 643000 (China); Kaya, Savaş; Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, Sivas 58140 (Turkey)


    Highlights: • We obtained the habit information of α-Fe obtained by the “Morphology” module. • The adsorption of pyrrole, furan, and thiophene on Fe(110) surface were studied by DFT calculations. • Our DFT modeling provided a reasonable micro-explanation to the empirical rule. - Abstract: Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies of molecules containing heteroatoms is such that O < N < S. However, an atomic-level insight into the inhibition mechanism is still lacked. Thus, in this work, density functional theory calculations was used to investigate the adsorption of three typical heterocyclic molecules, i.e., pyrrole, furan, and thiophene, on Fe(110) surface. The approach is illustrated by carrying out geometric optimization of inhibitors on the stable and most exposed plane of α-Fe. Some salient features such as charge density difference, changes of work function, density of states were detailedly described. The present study is helpful to understand the afore-mentioned experiment rule.

  20. Mo{sub 6}S{sub 4.5}I{sub 4.5} Nanowires: Structure Studies by HRTEM and Aberration Corrected STEM

    Energy Technology Data Exchange (ETDEWEB)

    Nicolosi, Valeria [University of Dublin - Trinity College, Department of Physics, Dublin 2 (Ireland); Nellist, Peter [University of Dublin - Trinity College, Department of Physics, Dublin 2 (Ireland); Sloan, Jeremy [Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR (United Kingdom); Mihailovic, Dragan [Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia); Mo6, Teslova 30, 1000 Ljubljana (Slovenia); Green, Malcom [Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QR (United Kingdom); Blau, Werner J [University of Dublin - Trinity College, Department of Physics, Dublin 2 (Ireland); Coleman, Jonathan N [University of Dublin - Trinity College, Department of Physics, Dublin 2 (Ireland)


    The atomic structure of subnanometer diameter Mo{sub 6}S{sub 4.5}I{sub 4.5} nanowires and their superlattice packing in bundles have been studied by High Resolution Transmission Electron Microscopy (HRTEM) and Aberration Corrected Scanning Transmission Electron Microscopy (STEM). The individual nanowires are best described as one-dimensional Mo-chalcogenidehalide cluster polymers, composed of Mo octahedra, surrounded by iodine atoms and connected by bridging planes of 3 sulfur atoms. The nanowires are weakly bounded together into bundles by Van der Waals forces in a trigonal packing arrangement, with a nanowire to nanowire distance of 0.96 nm.

  1. Atomic Insight into the Altered O6-Methylguanine-DNA Methyltransferase Protein Architecture in Gastric Cancer.

    Directory of Open Access Journals (Sweden)

    Naveed Anjum Chikan

    Full Text Available O6-methylguanine-DNA methyltransferase (MGMT is one of the major DNA repair protein that counteracts the alkalyting agent-induced DNA damage by replacing O6-methylguanine (mutagenic lesion back to guanine, eventually suppressing the mismatch errors and double strand crosslinks. Exonic alterations in the form of nucleotide polymorphism may result in altered protein structure that in turn can lead to the loss of function. In the present study, we focused on the population feared for high exposure to alkylating agents owing to their typical and specialized dietary habits. To this end, gastric cancer patients pooled out from the population were selected for the mutational screening of a specific error prone region of MGMT gene. We found that nearly 40% of the studied neoplastic samples harbored missense mutation at codon151 resulting into Serine to Isoleucine variation. This variation resulted in bringing about the structural disorder, subsequently ensuing into a major stoichiometric variance in recognition domain, substrate binding and selectivity loop of the active site of the MGMT protein, as observed under virtual microscope of molecular dynamics simulation (MDS. The atomic insight into MGMT protein by computational approach showed a significant change in the intra molecular hydrogen bond pattern, thus leading to the observed structural anomalies. To further examine the mutational implications on regulatory plugs of MGMT that holds the protein in a DNA-Binding position, a MDS based analysis was carried out on, all known physically interacting amino acids essentially clustered into groups based on their position and function. The results generated by physical-functional clustering of protein indicated that the identified mutation in the vicinity of the active site of MGMT protein causes the local and global destabilization of a protein by either eliminating the stabilizing salt bridges in cluster C3, C4, and C5 or by locally destabilizing the

  2. Atomic-scale insight into the origin of pyridine inhibition of MoS2-based hydrotreating catalysts

    DEFF Research Database (Denmark)

    Temel, Burcin; Tuxen, Anders K.; Kibsgaard, Jakob


    Basic nitrogen-containing compounds such as pyridine are well known to be inhibitors of the hydrodesulfurization (HDS) reaction for the MoS2-based catalysts. From an interplay of scanning tunneling microscopy (STM) experiments and density functional theory (DFT) calculations, atomic-scale insight...... also at the edges. The calculated DFT energies and simulated STM images allowed us to conclude that these species are pyridinium ions located at the catalytically active brim sites. Furthermore, the DFT results for the vibrational modes of the adsorbed pyridinium species agree well with those observed...... in earlier IR experiments on high surface alumina-supported MoS2 catalyst. The adsorption sites appear to be very similar to the brim sites involved in hydrogenation reactions in HDS. Thus, the combined STM and DFT results provide new atomic-scale insight into the inhibition effect of basic N...

  3. HRTEM investigation of phase stability in alumina–zirconia ...

    Indian Academy of Sciences (India)

    ature via this mechanism as a result of charge balance which in turn stabilized the high temperature tetragonal .... to record digital images from which quantitative analysis was performed. Phase identification was made .... Here, the white dots correspond to the atomic columns from the respective crystalline planes. Multislice ...

  4. Structural characterization of crystallized Si thin film material by HRTEM and Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mchedlidze, Teimuraz; Sohal, Rakesh [Joint Lab, IHP/BTU, Konrad-Wachsmann-Allee 1, 03046 Cottbus (Germany); Beigmohamadi, Maryam; Mayer, Joachim [Institute of Solid State Research and Ernst-Ruska Centre for Microscopy und Spectroscopy with Electrons, Forschungszentrum Juelich GmbH, 52425 Juelich (Germany); Berghoff, Birger; Suckow, Stephan; Wilck, Noel; Spangenberg, Bernd [Institute of Semiconductor Electronics, RWTH Aachen University, Sommerfeldstr. 24, 52074 Aachen (Germany); Arguirov, Tzanimir; Kittler, Martin [Joint Lab, IHP/BTU, Konrad-Wachsmann-Allee 1, 03046 Cottbus (Germany); IHP Microelectronics, Im Technologiepark 25, 15236 Frankfurt (Oder) (Germany)


    Comparative structural analyses of a crystallized, 60 nm thick silicon film deposited on quartz substrate were performed using high resolution transmission electron microscopy (HRTEM) and Raman spectroscopy (RS). Both methods suggest high degree of crystallization of the film. The material of the film consists of crystalline grains with sizes up to 20 nm (HRTEM) and the mean size of the grains is {proportional_to}4 nm (RS). HRTEM results suggest large scatter of the crystal orientations of the grains. The existence of boundary defects between grains grouped in large agglomerates was also detected by HRTEM. RS analyses indicate large compressive strain in the system and the existence of high pressure Si phases in the material of the film. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Insights into the Hydrogen-Atom Transfer of the Blue Aroxyl. (United States)

    Bächle, Josua; Marković, Marijana; Kelterer, Anne-Marie; Grampp, Günter


    An experimental and theoretical study on hydrogen-atom transfer dynamics in the hydrogen-bonded substituted phenol/phenoxyl complex of the blue aroxyl (2,4,6-tri-tert-butylphenoxyl) is presented. The experimental exchange dynamics is determined in different organic solvents from the temperature-dependent alternating line-width effect in the continuous-wave ESR spectrum. From bent Arrhenius plots, effective tunnelling contributions with parallel heavy-atom motion are concluded. To clarify the transfer mechanism, reaction paths for different conformers of the substituted phenol/phenoxyl complex are modelled theoretically. Various DFT and post-Hartree-Fock methods including multireference methods are applied. From the comparison of experimental and theoretical data it is concluded that the system favours concerted hydrogen-atom transfer along a parabolic reaction path caused by heavy-atom motion. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Atomic structure of interfaces between Mn3O4 precipitates and Ag studied with HRTEM

    NARCIS (Netherlands)

    Kooi, B.J.; Groen, H.B; de Hosson, J.T.M.

    Internal oxidation of Ag-3 at.% Mn resulted in Mn3O4 precipitates with a ''parallel'' topotaxy with the metal matrix and an octahedron shape due to {111} facets. Orientation and shape of Mn3O4 in Ag are not in the lowest strain energy state, indicating the dominance of interfacial energy over strain

  7. Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight. (United States)

    Torres, A E; Fomine, S


    The electronic structure of graphene nanoribbons doped with a graphitic type of nitrogen atoms has been studied using B3LYP, B2PLYP and CAS methods. In all but one case the restricted B3LYP solutions were unstable and the CAS calculations provided evidence for the multiconfigurational nature of the ground state with contributions from two dominant configurations. The relative stability of the doped nanoribbons depends mostly on the mutual position of the dopant atoms and notably less on the position of nitrogen atoms within the nanoribbon. N-graphitic doping affects cationic states much more than anionic ones due the participation of the nitrogen atoms in the stabilization of the positive charge, resulting in a drop in ionization energies (IPs) for N-graphitic doped systems. Nitrogen atoms do not participate in the negative charge stabilization of anionic species and, therefore, the doping does not affect the electron affinities (EAs). The unrestricted B3LYP method is the method of choice for the calculation of IPs and EAs. Restricted B3LYP and B2PLYP produces unreliable results for both IPs and EAs while CAS strongly underestimates the electron affinities. This is also true for the reorganization energies where restricted B3LYP produces qualitatively incorrect results. Doping changes the reorganization energy of the nanoribbons; the hole reorganization energy is generally higher than the corresponding electron reorganization energy due to the participation of nitrogen atoms in the stabilization of the positive charge.

  8. Reaction of iodine atoms with submicrometer squalane and squalene droplets: mechanistic insights into heterogeneous reactions. (United States)

    Popolan-Vaida, Denisia M; Wilson, Kevin R; Leone, Stephen R


    The gas-phase reaction of iodine atoms with hydrocarbon molecules is energetically unfavorable, and there is no direct evidence for iodinated product formation by either H abstraction or I addition reactions at ambient temperature. Here we consider the possible heterogeneous reaction of I atoms with submicrometer droplets composed of a saturated alkane, squalane (Sq), and an unsaturated alkene, squalene (Sqe). The investigations are performed in an atmospheric pressure photochemical flow tube reactor in conjunction with a vacuum ultraviolet photoionization aerosol mass spectrometer and a scanning mobility particle sizer. Squalane, a branched alkane, is unreactive toward I atoms within the signal-to-noise, and an upper limit of the effective reactive uptake coefficient is estimated to be γI(Sq) ≤ 8.58 × 10(–7). In contrast, the reaction of I atoms with unsaturated submicrometer squalene droplets results in observable iodinated squalene products. The effective reactive uptake coefficient of I atom with squalene particles is determined to be γI(Sqe) = (1.20 ± 0.52) × 10(–4) at an average I concentration of 1.5 × 10(14) molecules·cm(–3).

  9. Investigation of the Distribution of Fission Products Silver, Palladium and Cadmium in Neutron Irradiated SIC using a Cs Corrected HRTEM

    Energy Technology Data Exchange (ETDEWEB)

    I. J. van Rooyen; E. Olivier; J. H Neethlin


    Electron microscopy examinations of selected coated particles from the first advanced gas reactor experiment (AGR-1) at Idaho National Laboratory (INL) provided important information on fission product distribution and chemical composition. Furthermore, recent research using STEM analysis led to the discovery of Ag at SiC grain boundaries and triple junctions. As these Ag precipitates were nano-sized, high resolution transmission electron microscopy (HRTEM) examination was used to provide more information at the atomic level. This paper describes some of the first HRTEM results obtained by examining a particle from Compact 4-1-1, which was irradiated to an average burnup of 19.26% fissions per initial metal atom (FIMA), a time average, volume-averaged temperature of 1072°C; a time average, peak temperature of 1182°C and an average fast fluence of 4.13 x 1021 n/cm2. Based on gamma analysis, it is estimated that this particle may have released as much as 10% of its available Ag-110m inventory during irradiation. The HRTEM investigation focused on Ag, Pd, Cd and U due to the interest in Ag transport mechanisms and possible correlation with Pd, Ag and U previously found. Additionally, Compact 4-1-1 contains fuel particles fabricated with a different fuel carrier gas composition and lower deposition temperatures for the SiC layer relative to the Baseline fabrication conditions, which are expected to reduce the concentration of SiC defects resulting from uranium dispersion. Pd, Ag, and Cd were found to co-exist in some of the SiC grain boundaries and triple junctions whilst U was found to be present in the micron-sized precipitates as well as separately in selected areas at grain boundaries. This study confirmed the presence of Pd both at inter- and intragranular positions; in the latter case specifically at stacking faults. Small Pd nodules were observed at a distance of about 6.5 micron from the inner PyC/SiC interface.

  10. Intermolecular orientations in liquid acetonitrile: new insights based on diffraction measurements and all-atom simulations

    CERN Document Server

    Pothoczki, Szilvia


    Intermolecular correlations in liquid acetonitrile (CH3CN) have been revisited by calculating orientational correlation functions. In the present approach, hydrogen atoms are included, so that a concept applicable for molecules of (nearly) tetrahedral shape can be exploited. In this way molecular arrangements are elucidated not only for closest neighbours but also extending well beyond the first coordination sphere. Thus a complementary viewpoint is provided to the more popular dipole-dipole correlations. Our calculations are based on large structural models that were obtained by applying diffraction data and partial radial distribution functions from potential-based (all-atom) molecular dynamics simulation simultaneously, within the framework of the Reverse Monte Carlo method.

  11. Metamict Minerals: an Insight into a Relic Crystal Structure Using XRD, Raman Spectroscopy, SAED and HRTEM


    Tomašić, Nenad; Bermanec, Vladimir; Gajović, Andreja; Rajić Linarić, Maša


    Metamict minerals are characterized by an amorphization of their crystal structure due to radiation damage, and they present an interesting challenge to the mineral and material scientist. The mechanisms of the crystal structure's metamictization and thermally induced recrystallization have been found not only to be of interest for solving mineralogical and geological problems, but also for helping with practical problems, like nuclear-waste storage. This paper gives an overview of the common...

  12. Role of cardiolipins in the inner mitochondrial membrane: insight gained through atom-scale simulations

    DEFF Research Database (Denmark)

    Róg, Tomasz; Martinez-Seara, Hector; Munck, Nana


    , the exceptional nature of cardiolipins is characterized by their small charged head group connected to typically four hydrocarbon chains. In this work, we present atomic-scale molecular dynamics simulations of the inner mitochondrial membrane modeled as a mixture of cardiolipins (CLs), phosphatidylcholines (PCs...

  13. Continuum mechanics at the atomic scale : Insights into non-adhesive contacts using molecular dynamics simulations

    NARCIS (Netherlands)

    Solhjoo, Soheil; Vakis, Antonis I.


    Classical molecular dynamics (MD) simulations were performed to study non-adhesive contact at the atomic scale. Starting from the case of Hertzian contact, it was found that the reduced Young’s modulus E* for shallow indentations scales as a function of, both, the indentation depth and the contact

  14. Atomic substitutions in synthetic apatite; Insights from solid-state NMR spectroscopy (United States)

    Vaughn, John S.

    Apatite, Ca5(PO4)3X (where X = F, Cl, or OH), is a unique mineral group capable of atomic substitutions for cations and anions of varied size and charge. Accommodation of differing substituents requires some kind of structural adaptation, e.g. new atomic positions, vacancies, or coupled substitutions. These structural adaptations often give rise to important physicochemical properties relevant to a range of scientific disciplines. Examples include volatile trapping during apatite crystallization, substitution for large radionuclides for long-term storage of nuclear fission waste, substitution for fluoride to improve acid resistivity in dental enamel composed dominantly of hydroxylapatite, and the development of novel biomaterials with enhanced biocompatibility. Despite the importance and ubiquity of atomic substitutions in apatite materials, many of the mechanisms by which these reactions occur are poorly understood. Presence of substituents at dilute concentration and occupancy of disordered atomic positions hinder detection by bulk characterization methods such as X-ray diffraction (XRD) and infrared (IR) spectroscopy. Solid-state nuclear magnetic resonance (NMR) spectroscopy is an isotope-specific structural characterization technique that does not require ordered atomic arrangements, and is therefore well suited to investigate atomic substitutions and structural adaptations in apatite. In the present work, solid-state NMR is utilized to investigate structural adaptations in three different types of apatite materials; a series of near-binary F, Cl apatite, carbonate-hydroxylapatite compositions prepared under various synthesis conditions, and a heat-treated hydroxylapatite enriched in 17O. The results indicate that hydroxyl groups in low-H, near binary F,Cl apatite facilitate solid-solution between F and Cl via column reversals, which result in average hexagonal symmetry despite very dilute OH concentration ( 2 mol percent). In addition, 19F NMR spectra indicate

  15. Insights into the Pathophysiology of the Antiphospholipid Syndrome Provided by Atomic Force Microscopy (United States)

    Quinn, Anthony S.; Wu, Xiao-Xuan; Rand, Jacob H.; Taatjes, Douglas J.


    The antiphospholipid syndrome (APS) is an enigmatic autoimmune disorder in which patients present with thrombosis and/or recurrent pregnancy losses together with laboratory evidence for the presence of autoantibodies in the blood that recognize proteins that bind to anionic phospholipids – the most important of which is β2-glycoprotein I (β2GPI). Earlier, we hypothesized that the clinical manifestations arise from antibody-induced disruption of a 2-dimensional anticoagulant crystal shield, composed of annexin A5, present on placental trophoblast plasma membranes. Accordingly, we reasoned that a high resolution imaging technology such as atomic force microscopy could be used to investigate such molecular interactions at high resolution in a non-fixed hydrated environment. This review will focus on the contribution of this technique to the elucidation of the mechanism of APS. PMID:22483857

  16. Gaining insight into the physics of dynamic atomic force microscopy in complex environments using the VEDA simulator. (United States)

    Kiracofe, Daniel; Melcher, John; Raman, Arvind


    Dynamic atomic force microscopy (dAFM) continues to grow in popularity among scientists in many different fields, and research on new methods and operating modes continues to expand the resolution, capabilities, and types of samples that can be studied. But many promising increases in capability are accompanied by increases in complexity. Indeed, interpreting modern dAFM data can be challenging, especially on complicated material systems, or in liquid environments where the behavior is often contrary to what is known in air or vacuum environments. Mathematical simulations have proven to be an effective tool in providing physical insight into these non-intuitive systems. In this article we describe recent developments in the VEDA (virtual environment for dynamic AFM) simulator, which is a suite of freely available, open-source simulation tools that are delivered through the cloud computing cyber-infrastructure of nanoHUB ( Here we describe three major developments. First, simulations in liquid environments are improved by enhancements in the modeling of cantilever dynamics, excitation methods, and solvation shell forces. Second, VEDA is now able to simulate many new advanced modes of operation (bimodal, phase-modulation, frequency-modulation, etc.). Finally, nineteen different tip-sample models are available to simulate the surface physics of a wide variety different material systems including capillary, specific adhesion, van der Waals, electrostatic, viscoelasticity, and hydration forces. These features are demonstrated through example simulations and validated against experimental data, in order to provide insight into practical problems in dynamic AFM.

  17. Statistical analysis of support thickness and particle size effects in HRTEM imaging of metal nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    House, Stephen D., E-mail: [Chemical and Petroleum Engineering, and Physics, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Bonifacio, Cecile S.; Grieshaber, Ross V.; Li, Long; Zhang, Zhongfan [Chemical and Petroleum Engineering, and Physics, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Ciston, Jim [National Center of Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Stach, Eric A. [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, NY 11973 (United States); Yang, Judith C. [Chemical and Petroleum Engineering, and Physics, University of Pittsburgh, Pittsburgh, PA 15261 (United States)


    High-resolution transmission electron microscopy (HRTEM) examination of nanoparticles requires their placement on some manner of support – either TEM grid membranes or part of the material itself, as in many heterogeneous catalyst systems – but a systematic quantification of the practical imaging limits of this approach has been lacking. Here we address this issue through a statistical evaluation of how nanoparticle size and substrate thickness affects the ability to resolve structural features of interest in HRTEM images of metallic nanoparticles on common support membranes. The visibility of lattice fringes from crystalline Au nanoparticles on amorphous carbon and silicon supports of varying thickness was investigated with both conventional and aberration-corrected TEM. Over the 1–4 nm nanoparticle size range examined, the probability of successfully resolving lattice fringes differed significantly as a function both of nanoparticle size and support thickness. Statistical analysis was used to formulate guidelines for the selection of supports and to quantify the impact a given support would have on HRTEM imaging of crystalline structure. For nanoparticles ≥1 nm, aberration-correction was found to provide limited benefit for the purpose of visualizing lattice fringes; electron dose is more predictive of lattice fringe visibility than aberration correction. These results confirm that the ability to visualize lattice fringes is ultimately dependent on the signal-to-noise ratio of the HRTEM images, rather than the point-to-point resolving power of the microscope. This study provides a benchmark for HRTEM imaging of crystalline supported metal nanoparticles and is extensible to a wide variety of supports and nanostructures. - Highlights: • The impact of supports on imaging nanoparticle lattice structure is quantified. • Visualization probabilities given particle size and support thickness are estimated. • Aberration-correction provided limited benefit

  18. Preformed template fluctuations promote fibril formation: Insights from lattice and all-atom models

    Energy Technology Data Exchange (ETDEWEB)

    Kouza, Maksim, E-mail:; Kolinski, Andrzej [Faculty of Chemistry, University of Warsaw, ul. Pasteura 1, 02-093 Warszaw (Poland); Co, Nguyen Truong [Department of Physics, Institute of Technology, National University of HCM City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City (Viet Nam); Institute for Computational Science and Technology, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City (Viet Nam); Nguyen, Phuong H. [Laboratoire de Biochimie Theorique, UPR 9080 CNRS, IBPC, Universite Paris 7, 13 rue Pierre et Marie Curie, 75005 Paris (France); Li, Mai Suan, E-mail: [Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw (Poland)


    Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer’s and Parkinson’s diseases. Despite the fact that the fibril formation process is very slow and thus poses a significant challenge for theoretical and experimental studies, a number of alternative pictures of molecular mechanisms of amyloid fibril formation have been recently proposed. What seems to be common for the majority of the proposed models is that fibril elongation involves the formation of pre-nucleus seeds prior to the creation of a critical nucleus. Once the size of the pre-nucleus seed reaches the critical nucleus size, its thermal fluctuations are expected to be small and the resulting nucleus provides a template for sequential (one-by-one) accommodation of added monomers. The effect of template fluctuations on fibril formation rates has not been explored either experimentally or theoretically so far. In this paper, we make the first attempt at solving this problem by two sets of simulations. To mimic small template fluctuations, in one set, monomers of the preformed template are kept fixed, while in the other set they are allowed to fluctuate. The kinetics of addition of a new peptide onto the template is explored using all-atom simulations with explicit water and the GROMOS96 43a1 force field and simple lattice models. Our result demonstrates that preformed template fluctuations can modulate protein aggregation rates and pathways. The association of a nascent monomer with the template obeys the kinetics partitioning mechanism where the intermediate state occurs in a fraction of routes to the protofibril. It was shown that template immobility greatly increases the time of incorporating a new peptide into the preformed template compared to the fluctuating template case. This observation has also been confirmed by simulation using lattice models and may be invoked to understand the role of template fluctuations in

  19. Fundamental insights into the radium uptake into barite by atom probe tomography and electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Juliane


    -of-the-art high-resolution microscopy techniques was used to answer the questions regarding (1) the internal microstructure of the initial barite (2) the role of this internal microstructure during the Ra uptake and (3) t he changes in the Ra distribution within the barite. This study comprises the first characterization of barite by atom probe tomography (APT). By combining APT and transmission electron microscopy (TEM) methods, pores covering the size range from a few nanometers to a few micrometers were identified in the SL barite. The pores were organized in layers parallel to the outer crystal faces. High resolution chemical analysis indicated that the pores contain a solution of water and sodium chloride. By focused ion beam (FIB) tomography, it was revealed that open macropores of several micrometers size are present as well within the SL barite. These partially connected macropores are distributed within the complete barite particles. Therefore, the macropores provide a direct pathway for Ra-containing aqueous fluid to enter the SL barite particles by diffusion within the aqueous solution. In addition, pores were also identified in the AL barite by TEM characterization. The entrapment of solution during mineral precipitation is known for several minerals at high supersaturation. As barite only precipitates at high supersaturation, nanoscale fluid inclusions as well as macropores probably were entrapped during the particle growth by precipitation. A microstructure similar to the one of the barite type used in this study was previously reported for other barites. In Ra-free reference experiment, no microstructural changes were noted over recrystallization times of up to 898 days. In prior studies, three different stages of Ra uptake were described based on macroscopic results. Ra-containing barite samples from all three stages were characterized to understand the role of the internal barite microstructure. At the beginning, the nano-scale fluid inclusions disappeared

  20. MHz Broadline NMR and HRTEM in the Study of Novel Strongly Correlated Electron Materials

    Directory of Open Access Journals (Sweden)

    Georgios Papavassiliou


    Full Text Available 139La broadline NMR and HRTEM is used in order to unveil the interplay between local Jahn-Teller (JT lattice distortions and the magnetic structure in the La1-xCaxMnO3 family of manganites. By increasing x, i.e. diluting the JT active Mn3+ ions, a variety of novel phases is observed, with most spectacular the low T solitonic (stripe spin arrangement for x≥0.5.

  1. Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Addition of Hydrogen Atoms. (United States)

    Lindquist, Beth A; Takeshita, Tyler Y; Dunning, Thom H


    Ozone (O3) and sulfur dioxide (SO2) are valence isoelectronic species, yet their properties and reactivities differ dramatically. In particular, O3 is highly reactive, whereas SO2 is chemically relatively stable. In this paper, we investigate serial addition of hydrogen atoms to both the terminal atoms of O3 and SO2 and to the central atom of these species. It is well-known that the terminal atoms of O3 are much more amenable to bond formation than those of SO2. We show that the differences in the electronic structure of the π systems in the parent triatomic species account for the differences in the addition of hydrogen atoms to the terminal atoms of O3 and SO2. Further, we find that the π system in SO2, which is a recoupled pair bond dyad, facilitates the addition of hydrogen atoms to the sulfur atom, resulting in stable HSO2 and H2SO2 species.

  2. HRTEM Analysis of Crystallographic Defects in CdZnTe Single Crystal (United States)

    Yasar, Bengisu; Ergunt, Yasin; Kabukcuoglu, Merve Pinar; Parlak, Mehmet; Turan, Rasit; Kalay, Yunus Eren


    In recent years, CdZnTe has attracted much attention due to its superior electrical and structural properties for room-temperature operable gamma and x-ray detectors. However, CdZnTe (CZT) material has often suffered from crystallographic defects encountered during the growth and post-growth processes. The identification and structural characterization of these defects is crucial to synthesize defect-free CdZnTe single crystals. In this study, Cd0.95 Zn0.05 Te single crystals were grown using a three-zone vertical Bridgman system. The single crystallinity of the material was ensured by using x-ray diffraction measurements. High-resolution electron microscopy (HRTEM) was used to characterize the nano-scale defects on the CdZnTe matrix. The linear defects oriented along the ⟨211⟩ direction were examined by transmission electron microscopy (TEM) and the corresponding HRTEM image simulations were performed by using a quantitative scanning TEM simulation package.

  3. Mutual transformation between crystalline phases in silicon after treatment in a planetary mill: HRTEM studies. (United States)

    Kulnitskiy, Boris; Annenkov, Mikhail; Perezhogin, Igor; Popov, Mikhail; Ovsyannikov, Danila; Blank, Vladimir


    High-resolution transmission electron microscopy (HRTEM) studies of silicon after treatment in a planetary mill have been performed. It is shown that along with the initial phase of silicon, Si-I, the sample also contains some high-pressure phases: Si-III (Kasper phase) and Si-IV (lonsdaleite). We studied the orientation relationship between the particles of different phases, finding that there are, in general, two mechanisms of formation of Si-IV: (1) through the stacking faults formation; (2) through the transformation first to the Kasper phase (Si-III), and then from the Kasper phase to Si-IV. Estimations of temperature and pressure conditions in the planetary ball mill made previously are in accordance with the conditions of formation of the above-mentioned phases.

  4. Numerical correction of anti-symmetric aberrations in single HRTEM images of weakly scattering 2D-objects. (United States)

    Lehtinen, Ossi; Geiger, Dorin; Lee, Zhongbo; Whitwick, Michael Brian; Chen, Ming-Wei; Kis, Andras; Kaiser, Ute


    Here, we present a numerical post-processing method for removing the effect of anti-symmetric residual aberrations in high-resolution transmission electron microscopy (HRTEM) images of weakly scattering 2D-objects. The method is based on applying the same aberrations with the opposite phase to the Fourier transform of the recorded image intensity and subsequently inverting the Fourier transform. We present the theoretical justification of the method, and its verification based on simulated images in the case of low-order anti-symmetric aberrations. Ultimately the method is applied to experimental hardware aberration-corrected HRTEM images of single-layer graphene and MoSe₂ resulting in images with strongly reduced residual low-order aberrations, and consequently improved interpretability. Alternatively, this method can be used to estimate by trial and error the residual anti-symmetric aberrations in HRTEM images of weakly scattering objects. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Inorganic WS{sub 2} nanotubes revealed atom by atom using ultra-high-resolution transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bar Sadan, Maya; Heidelmann, Markus; Houben, Lothar [Forschungszentrum Juelich GmbH, Institute of Solid State Research and Ernst Ruska Centre for Microscopy and Spectroscopy with Electrons, Juelich (Germany); Tenne, Reshef [Weizmann Institute of Science, Materials and Interfaces Department, Rehovot (Israel)


    The characterization of nanostructures to the atomic dimensions becomes more important, as devices based on a single particle are being produced. In particular, inorganic nanotubes were shown to host interesting properties making them excellent candidates for various devices. The WS{sub 2} nanotubes outperform the bulk in their mechanical properties offering numerous applications especially as part of high strength nanocomposites. In contrast, their electrical properties are less remarkable. The structure-function relationship can be investigated by aberration-corrected high-resolution transmission electron microscopy (HRTEM), which enables the insight into their atomic structure as well as performing spectroscopic measurements down to the atomic scale. In the present work, the deciphering of atomic structure and the chiral angle of the different shells in a multiwall WS{sub 2} nanotube is demonstrated. In certain cases, the helicity of the structure can also be deduced. Finally, first electron energy loss spectra (EELS) of a single tube are presented, acquired by a new acquisition technique that allows for high spatial resolution (denoted StripeSTEM). The measured band gap values correspond with the values found in literature for thin films, obtained by spectroscopic techniques, and are higher than the values resulting from STM measurements. (orig.)

  6. Crystal structure of post-perovskite-type CaIrO3 reinvestigated: new insights into atomic thermal vibration behaviors

    Directory of Open Access Journals (Sweden)

    Akihiko Nakatsuka


    Full Text Available Single crystals of the title compound, the post-perovskite-type CaIrO3 [calcium iridium(IV trioxide], have been grown from a CaCl2 flux at atmospheric pressure. The crystal structure consists of an alternate stacking of IrO6 octahedral layers and CaO8 hendecahedral layers along [010]. Chains formed by edge-sharing of IrO6 octahedra (point-group symmetry 2/m.. run along [100] and are interconnected along [001] by sharing apical O atoms to build up the IrO6 octahedral layers. Chains formed by face-sharing of CaO8 hendecahedra (point-group symmetry m2m run along [100] and are interconnected along [001] by edge-sharing to build up the CaO8 hendecahedral layers. The IrO6 octahedral layers and CaO8 hendecahedral layers are interconnected by sharing edges. The present structure refinement using a high-power X-ray source confirms the atomic positions determined by Hirai et al. (2009 [Z. Kristallogr. 224, 345–350], who had revised our previous report [Sugahara et al. (2008. Am. Mineral. 93, 1148–1152]. However, the displacement ellipsoids of the Ir and Ca atoms based on the present refinement can be approximated as uniaxial ellipsoids elongating along [100], unlike those reported by Hirai et al. (2009. This suggests that the thermal vibrations of the Ir and Ca atoms are mutually suppressed towards the Ir...Ca direction across the shared edge because of the dominant repulsion between the two atoms.

  7. Aberration measurement in HRTEM: Implementation and diagnostic use of numerical procedures for the highly precise recognition of diffractogram patterns

    Energy Technology Data Exchange (ETDEWEB)

    Barthel, J. [Institute of Solid State Research and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C), Forschungszentrum Juelich GmbH, D-52425 Juelich (Germany); Thust, A., E-mail: [Institute of Solid State Research and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C), Forschungszentrum Juelich GmbH, D-52425 Juelich (Germany)


    The precise characterisation of the instrumental imaging properties in the form of aberration parameters constitutes an almost universal necessity in quantitative HRTEM, and is underlying most hardware and software techniques established in this field. We focus in this paper on the numerical analysis of individual diffractograms as a first preparatory step for further publications on HRTEM aberration measurement. The extraction of the defocus and the 2-fold astigmatism from a diffractogram is a classical pattern recognition problem, which we believe to have solved in a near-optimum way concerning precision, speed, and robustness. The newly gained measurement precision allows us to resolve fluctuations of the defocus and the 2-fold astigmatism and to assess thereby the optical stability of electron microscopes. Quantitative stability criteria are elaborated, which may serve as helpful guidelines for daily work as well as for microscope acceptance tests. -- Research Highlights: {yields} Algorithms for the highly precise diffractogram analysis in HRTEM are introduced. {yields} AMADEUS procedure measures defocus and astigmatism with a few Angstrom precision. {yields} Aberration measurement meets the precision requirements of 0.5 A microscopy. {yields} Quantitative criteria for the optical stability of HRTEMs are introduced.

  8. HRTEM Study of Oxide Nanoparticles in K3-ODS Ferritic Steel Developed for Radiation Tolerance

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, L; Fluss, M; Tumey, S; Kuntz, J; El-Dasher, B; Wall, M; Choi, W; Kimura, A; Willaime, F; Serruys, Y


    Crystal and interfacial structures of oxide nanoparticles and radiation damage in 16Cr-4.5Al-0.3Ti-2W-0.37 Y{sub 2}O{sub 3} ODS ferritic steel have been examined using high-resolution transmission electron microscopy (HRTEM) techniques. Oxide nanoparticles with a complex-oxide core and an amorphous shell were frequently observed. The crystal structure of complex-oxide core is identified to be mainly monoclinic Y{sub 4}Al{sub 2}O{sub 9} (YAM) oxide compound. Orientation relationships between the oxide and the matrix are found to be dependent on the particle size. Large particles (> 20 nm) tend to be incoherent and have a spherical shape, whereas small particles (< 10 nm) tend to be coherent or semi-coherent and have a faceted interface. The observations of partially amorphous nanoparticles and multiple crystalline domains formed within a nanoparticle lead us to propose a three-stage mechanism to rationalize the formation of oxide nanoparticles containing core/shell structures in as-fabricated ODS steels. Effects of nanoparticle size and density on cavity formation induced by (Fe{sup 8+} + He{sup +}) dual-beam irradiation are briefly addressed.

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

    Energy Technology Data Exchange (ETDEWEB)

    Cortés-Arriagada, Diego, E-mail:; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Soto, Karla; Toro-Labbé, Alejandro [Nucleus Millennium Chemical Processes and Catalysis, Laboratorio de Química Teórica Computacional (QTC), Departamento de Química-Física, Facultad de Química, Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Macul, Santiago (Chile)


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

  10. Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations. (United States)

    Xie, Hujun; Liu, Chengcheng; Yuan, Ying; Zhou, Tao; Fan, Ting; Lei, Qunfang; Fang, Wenjun


    The mechanisms for the oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives (Cp* = η(5)-C5Me5) by nitrous oxide via selective oxygen atom transfer reactions have been systematically studied by means of density functional theory (DFT) calculations. On the basis of the calculations, we investigated the original mechanism proposed by Hillhouse and co-workers for the activation of N2O. The calculations showed that the complex with an initial O-coordination of N2O to the coordinatively unsaturated Hf center is not a local minimum. Then we proposed a new reaction mechanism to investigate how N2O is activated and why N2O selectively oxidize phenyl and hydride ligands of . Frontier molecular orbital theory analysis indicates that N2O is activated by nucleophilic attack by the phenyl or hydride ligand. Present calculations provide new insights into the activation of N2O involving the direct oxygen atom transfer from nitrous oxide to metal-ligand bonds instead of the generally observed oxygen abstraction reaction to generate metal-oxo species.

  11. Structure and Nanomechanics of Model Membranes by Atomic Force Microscopy and Spectroscopy: Insights into the Role of Cholesterol and Sphingolipids

    Directory of Open Access Journals (Sweden)

    Berta Gumí-Audenis


    Full Text Available Biological membranes mediate several biological processes that are directly associated with their physical properties but sometimes difficult to evaluate. Supported lipid bilayers (SLBs are model systems widely used to characterize the structure of biological membranes. Cholesterol (Chol plays an essential role in the modulation of membrane physical properties. It directly influences the order and mechanical stability of the lipid bilayers, and it is known to laterally segregate in rafts in the outer leaflet of the membrane together with sphingolipids (SLs. Atomic force microscope (AFM is a powerful tool as it is capable to sense and apply forces with high accuracy, with distance and force resolution at the nanoscale, and in a controlled environment. AFM-based force spectroscopy (AFM-FS has become a crucial technique to study the nanomechanical stability of SLBs by controlling the liquid media and the temperature variations. In this contribution, we review recent AFM and AFM-FS studies on the effect of Chol on the morphology and mechanical properties of model SLBs, including complex bilayers containing SLs. We also introduce a promising combination of AFM and X-ray (XR techniques that allows for in situ characterization of dynamic processes, providing structural, morphological, and nanomechanical information.

  12. Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases. (United States)

    Kiliszek, Agnieszka; Kierzek, Ryszard; Krzyzosiak, Wlodzimierz J; Rypniewski, Wojciech


    CAG repeats occur predominantly in the coding regions of human genes, which suggests their functional importance. In some genes, these sequences can undergo pathogenic expansions leading to neurodegenerative polyglutamine (poly-Q) diseases. The mutant transcripts containing expanded CAG repeats possibly contribute to pathogenesis in addition to the well-known pathogenic effects of mutant proteins. We have analysed two crystal forms of RNA duplexes containing CAG repeats: (GGCAGCAGCC)(2). One of the structures has been determined at atomic resolution (0.95 Å) and the other at 1.9 Å. The duplexes include non-canonical A-A pairs that fit remarkably well within a regular A-helix. All the adenosines are in the anti-conformation and the only interaction within each A-A pair is a single C2-H2···N1 hydrogen bond. Both adenosines in each A-A pair are shifted towards the major groove, although to different extents; the A which is the H-bond donor stands out more (the 'thumbs-up' conformation). The main effect on the helix conformation is a local unwinding. The CAG repeats and the previously examined CUG structures share a similar pattern of electrostatic charge distribution in the minor groove, which could explain their affinity for the pathogenesis-related MBNL1 protein.

  13. Atomic scale insight into the amorphous structure of Cu doped GeTe phase-change material (United States)

    Zhang, Linchuan; Sa, Baisheng; Zhou, Jian; Song, Zhitang; Sun, Zhimei


    GeTe shows promising application as a recording material for phase-change nonvolatile memory due to its fast crystallization speed and extraordinary amorphous stability. To further improve the performance of GeTe, various transition metals, such as copper, have been doped in GeTe in recent works. However, the effect of the doped transition metals on the stability of amorphous GeTe is not known. Here, we shed light on this problem for the system of Cu doped GeTe by means of ab initio molecular dynamics calculations. Our results show that the doped Cu atoms tend to agglomerate in amorphous GeTe. Further, base on analyzing the pair correlation functions, coordination numbers and bond angle distributions, remarkable changes in the local structure of amorphous GeTe induced by Cu are obviously seen. The present work may provide some clues for understanding the effect of early transition metals on the local structure of amorphous phase-change compounds, and hence should be helpful for optimizing the structure and performance of phase-change materials by doping transition metals.

  14. Atomic scale insight into the amorphous structure of Cu doped GeTe phase-change material

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Linchuan; Sa, Baisheng [Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005 (China); Zhou, Jian; Sun, Zhimei, E-mail: [School of Materials Science and Engineering, and Center for Integrated Computational Materials Engineering, International Research Institute for Multidisciplinary Science, Beihang University, Beijing 100191 (China); Song, Zhitang [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System and Information Technology, CAS, 200050 Shanghai (China)


    GeTe shows promising application as a recording material for phase-change nonvolatile memory due to its fast crystallization speed and extraordinary amorphous stability. To further improve the performance of GeTe, various transition metals, such as copper, have been doped in GeTe in recent works. However, the effect of the doped transition metals on the stability of amorphous GeTe is not known. Here, we shed light on this problem for the system of Cu doped GeTe by means of ab initio molecular dynamics calculations. Our results show that the doped Cu atoms tend to agglomerate in amorphous GeTe. Further, base on analyzing the pair correlation functions, coordination numbers and bond angle distributions, remarkable changes in the local structure of amorphous GeTe induced by Cu are obviously seen. The present work may provide some clues for understanding the effect of early transition metals on the local structure of amorphous phase-change compounds, and hence should be helpful for optimizing the structure and performance of phase-change materials by doping transition metals.

  15. Chemical characterization of soot particles emitted by Wood-Burning Cook Stoves: A XPS and HRTEM study (United States)

    Carabali, Giovanni; Peralta, Oscar; Castro, Telma; Torres, Ricardo; Ruiz, Gerardo; Molina, Luisa; Saavedra, Isabel


    The morphology, microstructure, chemical composition, and electronic structure of soot particles emitted directly from biofuel cook stoves have been studied by high resolution transmission electron microscopy (HRTEM) and X-ray photoelectron spectroscopy (XPS). In order to obtain freshly emitted soot particles, copper grids for Transmission Electron Microscope (TEM) were placed on the last two of an 8-stages MOUDI cascade impactor. The analysis of HRTEM micrographs revealed the nanostructure and the particle size of soot chain. Additionally, the morphology of soot particles was analyzed calculating the border-based fractal dimension (Df). Particles sampled on the first heating stage exhibit complex shapes with high values of Df, which are present as aggregates formed by carbon ceno-spheres. The XPS survey spectrum for soot particles shows that the main particle composition is carbon. We also observed differences in the carbon/oxygen (C/O) ratio of the particles, which probably depends on the combustion process efficiency of each cook-stove analyzed. The XPS C-1s spectra show carbon with two peaks that correspond to sp2 and sp3 hybridization. Also, real-time absorption (βa) and scattering (αs) coefficients of the particles emitted by cook stoves were measured. The trend in βa and αs indicate that the cooking process has two important combustion stages which varied in its flaming strength, being vigorous in the first stage and soft in the second one.

  16. Modelling the Energetics of Encapsulation of Atoms and Atomic ...

    Indian Academy of Sciences (India)



    Jul 4, 2015 ... Modelling the Energetics of Encapsulation of. Atoms and Atomic Clusters into Carbon. Nanotubes: Insights from Analytical Approaches. R. S. Swathi. School of Chemistry. Indian Institute of Science Education and Research. Thiruvananthapuram, Kerala, India ...

  17. On the benefit of the negative-spherical-aberration imaging technique for quantitative HRTEM

    Energy Technology Data Exchange (ETDEWEB)

    Jia, C.L., E-mail: [Institute of Solid State Research and Ernst Ruska Centre for Microscopy and Spectroscopy with Electrons, Research Centre Juelich, D-52425 Juelich (Germany); Houben, L.; Thust, A.; Barthel, J. [Institute of Solid State Research and Ernst Ruska Centre for Microscopy and Spectroscopy with Electrons, Research Centre Juelich, D-52425 Juelich (Germany)


    Employing an aberration corrector in a high-resolution transmission electron microscope, the spherical aberration C{sub S} can be tuned to negative values, resulting in a novel imaging technique, which is called the negative C{sub S} imaging (NCSI) technique. The image contrast obtained with the NCSI technique is compared quantitatively with the image contrast formed with the traditional positive C{sub S} imaging (PCSI) technique. For the case of thin objects negative C{sub S} images are superior to positive C{sub S} images concerning the magnitude of the obtained contrast, which is due to constructive rather than destructive superposition of fundamental contrast contributions. As a consequence, the image signal obtained with a negative spherical aberration is significantly more robust against noise caused by amorphous surface layers, resulting in a measurement precision of atomic positions which is by a factor of 2-3 better at an identical noise level. The quantitative comparison of the two alternative C{sub S}-corrected imaging modes shows that the NCSI mode yields significantly more precise results in quantitative high-resolution transmission electron microscopy of thin objects than the traditional PCSI mode.

  18. Subset geometric phase analysis method for deformation evaluation of HRTEM images. (United States)

    Zhang, Hongye; Liu, Zhanwei; Wen, Huihui; Xie, Huimin; Liu, Chao


    Geometrical phase analysis (GPA) is typically a powerful tool to investigate the deformation in high resolution transmission electron microscopy images and has been used in various fields. The traditional GPA method using the fast Fourier transform, referred to as global-GPA (G-GPA) here, is based on the relationship between the displacement and the phase difference. In this paper, a subset-GPA (S-GPA) is introduced for further improvement. The S-GPA performs the windowed Fourier transform block by block in the image. The maximum strain measurement scale of the GPA method is theoretically analyzed on the basic of the phase spectrum extraction process. The upper limit is one third of the atomic spacing. The results of various numerical simulations verified that the S-GPA method performs better than the traditional G-GPA method in both the homogeneous and inhomogeneous deformation conditions, with the evaluation parameter of calculation reliability of S-GPA 10% higher than G-GPA. Specifically, the measurement accuracy of S-GPA is about three times higher than the G-GPA when calculating small strain (less than 2000με). For the large strain (greater than 150000με), the measurement accuracy of S-GPA is about 50% higher than that of the G-GPA. Besides, the S-GPA method can significantly eliminate the phase filling effect, while the G-GPA cannot. The S-GPA method has been successfully applied to analyze the strain field distribution in an lnGaAs/InAlAs supperlattice heterostructure. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Insights into intermediate phases of human intestinal fluids visualized by atomic force microscopy and cryo-transmission electron microscopy ex vivo. (United States)

    Müllertz, Anette; Fatouros, Dimitrios G; Smith, James R; Vertzoni, Maria; Reppas, Christos


    The current work aims to study at the ultrastructural level the morphological development of colloidal intermediate phases of human intestinal fluids (HIFs) produced during lipid digestion. HIFs were aspirated near the ligament of Treitz early (30 min), Aspirate(early), and 1 h, Aspirate(1h)(ave,comp), after the administration of a heterogeneous liquid meal into the antrum. The composition of the sample aspirated 1 h after meal administration was similar to the average lumenal composition 1 h after meal administration (Aspirate(1h)(ave,comp)). The colloidal structures of individual aspirates and supernatants of aspirates after ultracentrifugation (micellar phase) were characterized by means of atomic force microscopy (AFM) and cryogenic transmission electron microscopy (Cryo-TEM). AFM revealed domain-like structures in Aspirate(early) and both vesicles and large aggregates Aspirate(1h)(ave,comp). Rough surfaces and domains varying in size were frequently present in the micellar phase of both Aspirate(early) and Aspirate(1h)(ave,comp). Cryo-TEM revealed an abundance of spherical micelles and occasionally presented worm-like micelles coexisting with faceted and less defined vesicles in Aspirate(early) and Aspirate(1h)(ave,comp). In Aspirate(1h)(ave,comp) oil droplets were visualized with bilayers closely located to their surface suggesting lipolytic product phases accumulated on the surface of the oil droplet. In the micellar phase of Aspirate(early), Cryo-TEM revealed the presence of spherical micelles, small vesicles, membrane fragments, oil droplets and plate-like structures. In the micellar phase of Aspirate(1h)(ave,comp) the only difference was the absence of oil droplets. Visualization studies previously performed with biorelevant media revealed structural features with many similarities as presented in the current investigation. The impression of the complexity and diversion of these phases has been reinforced with the excessive variation of structural

  20. An All-Atom Model of the Pore-Like Structure of Hexameric VP40 from Ebola: Structural Insights into the Monomer-Hexamer Transition

    National Research Council Canada - National Science Library

    Nguyen, Tam L; Schoehn, Guy; Weissenhorn, Winfried; Hermone, Ann R; Burnett, James C; Panchal, Rekha G; McGrath, Connor; Zaharevitz, Dan W; Aman, M. J; Gussio, Rick; Bavari, Sina


    ...) to a resolution of approximately 30A. In this paper, we present the refinement of the EM reconstruction of truncated hexameric VP40 to approximately 20A and the construction of an all-atom model (residues 44-212...

  1. REPRINT OF: Aberration measurement in HRTEM: Implementation and diagnostic use of numerical procedures for the highly precise recognition of diffractogram patterns

    Energy Technology Data Exchange (ETDEWEB)

    Barthel, J. [Institute of Solid State Research and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C), Forschungszentrum Juelich GmbH, D-52425 Juelich (Germany); Thust, A., E-mail: [Institute of Solid State Research and Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C), Forschungszentrum Juelich GmbH, D-52425 Juelich (Germany)


    The precise characterisation of the instrumental imaging properties in the form of aberration parameters constitutes an almost universal necessity in quantitative HRTEM, and is underlying most hardware and software techniques established in this field. We focus in this paper on the numerical analysis of individual diffractograms as a first preparatory step for further publications on HRTEM aberration measurement. The extraction of the defocus and the 2-fold astigmatism from a diffractogram is a classical pattern recognition problem, which we believe to have solved in a near-optimum way concerning precision, speed, and robustness. The newly gained measurement precision allows us to resolve fluctuations of the defocus and the 2-fold astigmatism and to assess thereby the optical stability of electron microscopes. Quantitative stability criteria are elaborated, which may serve as helpful guidelines for daily work as well as for microscope acceptance tests. -- Research Highlights: {yields} Algorithms for the highly precise diffractogram analysis in HRTEM are introduced. {yields} AMADEUS procedure measures defocus and astigmatism with a few Angstrom precision. {yields} Aberration measurement meets the precision requirements of 0.5 A microscopy. {yields} Quantitative criteria for the optical stability of HRTEMs are introduced.

  2. Insights into thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks and their suppressed reaction with atomically thin AlO{sub x} interlayers

    Energy Technology Data Exchange (ETDEWEB)

    Ogawa, Shingo, E-mail: [Toray Research Center, Inc., 3-3-7 Sonoyama, Otsu, Shiga 520-8567 (Japan); Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Asahara, Ryohei; Minoura, Yuya; Hosoi, Takuji, E-mail:; Shimura, Takayoshi; Watanabe, Heiji [Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Sako, Hideki; Kawasaki, Naohiko; Yamada, Ichiko; Miyamoto, Takashi [Toray Research Center, Inc., 3-3-7 Sonoyama, Otsu, Shiga 520-8567 (Japan)


    The thermal diffusion of germanium and oxygen atoms in HfO{sub 2}/GeO{sub 2}/Ge gate stacks was comprehensively evaluated by x-ray photoelectron spectroscopy and secondary ion mass spectrometry combined with an isotopic labeling technique. It was found that {sup 18}O-tracers composing the GeO{sub 2} underlayers diffuse within the HfO{sub 2} overlayers based on Fick's law with the low activation energy of about 0.5 eV. Although out-diffusion of the germanium atoms through HfO{sub 2} also proceeded at the low temperatures of around 200 °C, the diffusing germanium atoms preferentially segregated on the HfO{sub 2} surfaces, and the reaction was further enhanced at high temperatures with the assistance of GeO desorption. A technique to insert atomically thin AlO{sub x} interlayers between the HfO{sub 2} and GeO{sub 2} layers was proven to effectively suppress both of these independent germanium and oxygen intermixing reactions in the gate stacks.

  3. Unique insights into the nanoworld. A unique highest-power microscope provides access to the world of atoms; Einzigartige Einblicke in die Nanowelt

    Energy Technology Data Exchange (ETDEWEB)



    With the best electron microscopes of our time in the Ernst Ruska center (ER-C) researchers can map the arrangement of atoms in a material and study very detailedly. This is for the progress in material science and nanotechnology deciding, then the interplay of the atoms determines the properties of materials and components. The ER-C, which is operated commonly by the Juelich Research Center and by the RWTH Aachen, has now supplemented its device park by an Europe-widely unique highest-power microscope: PICO corrects beside the spherical aberration yet a further lens error - the chromatic aberration - and reaches so a record resolution of 50 billionth millimeters.

  4. Insight into the promotion effect of pre-covered X (C, N and O) atoms on the dissociation of water on Cu(111) surface: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Zhao; Fang, Tao, E-mail:


    Highlights: • Complete dehydrogenation mechanisms of H{sub 2}O on clean and X-covered Cu(111) were studied using periodic DFT calculations. • The minimum energy paths for the dissociation of H{sub 2}O on four types Cu(111) surfaces were identified. • The role of the doped-C, N and O on the Cu(111) surface was discussed. - Abstract: Based on the density functional theory together with a periodic model, the adsorption and successive dissociation of water on clean and X (X = C, N and O)-covered Cu(111) surfaces have been investigated systematically. Our results indicate that the doping of carbon, nitrogen and oxygen atoms on the clean Cu(111) surface strengthens the interaction of H{sub 2}O-surface and weakens the interaction of OH-surface. The corresponding adsorption configurations of adsorbates are slightly changed. Compared to that on clean Cu(111) surface, it is revealed that the doped C, N and O atoms can promote the catalytic activity of H{sub 2}O dissociation and that the adsorbed C and N atoms are beneficial for the dissociation of OH, namely, the joining of C and N atoms on Cu(111) surfaces improve the catalytic activity and selectivity for H{sub 2}O complete dissociation. Among four types Cu(111) surfaces, C-covered Cu(111) is the most favorable surface both kinetically and thermodynamically.

  5. Mechanism of uranium(VI) uptake by Saccharomyces cerevisiae under environmentally relevant conditions: Batch, HRTEM, and FTIR studies

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Xia, E-mail:; Zhou, Xiao-jiao; Wang, Tie-shan, E-mail:


    Highlights: • Equilibrium reaches very rapid within 15 min. • pH shift towards neutral indicates release of hydroxyl ions. • High ionic strength inhabits biosorption capacity. • Uptake capacity of heat-killed cells is an order of magnitude higher than live one. • Electrostatic interaction, precipitation, and complexation are the main mechanisms. -- Abstract: Biosorption is of significance for the safety evaluation of high-level nuclear wastes repositories and remediation of radioactive contamination places. Quantitive study and structural characterization of uranium uptake by both live and heat-killed Saccharomyces cerevisiae at environmentally relevant uranium concentration and with different ionic strengths were carried out. Kinetic investigation showed the equilibrium reached within 15 min. In equilibrium studies, pH shift towards neutral indicated release of hydroxyl ions. pH was the most important factor, which partly affected electrostatic interaction between uranyl ions and S. cerevisiae surface. The high ionic strength inhibited biosorption capacity, which can be explained by a competitive reaction between sodium ions and uranyl ions. Heat killing process significantly enhanced biosorption capacity, showing an order of magnitude higher than that of live cells. High resolution transmission electron microscopy (HRTEM) coupled with energy dispersive X-ray (EDX) showed needle-like uranium-phosphate precipitation formed on the cell walls for both live and heat-killed cells. Besides, dark-field micrographs displayed considerable similar uranium-phosphate precipitation presented outside the heat-killed cells. The phosphate released during heat-killing process. FTIR illustrated function groups hydroxyl, carboxyl, phosphate, and amino groups played important role in complexation with uranium.

  6. A HRTEM/EDX approach to identification of the source of dust particles on urban tree leaves (United States)

    Lu, S. G.; Zheng, Y. W.; Bai, S. Q.

    Dust on tree leaves in the urban area of Hangzhou, China, was analyzed in terms of heavy metal contents and magnetic properties. Morphological and chemical composition of the dust particles were analyzed using a high resolution transmission electron microscope equipped with an energy-dispersive X-ray analyzer (HRTEM/EDX). Results indicated that the dusts contained high concentrations of Cd (mean 2.62), Cu (63.7), Zn (535.9) and Pb (150.9 mg kg -1). Magnetic susceptibility of the dusts was in a range of (16-856) × 10 -8 m 3 kg -1. It was shown that the dusts close to industrial area and busy road intersection had higher heavy metal contents and magnetic susceptibility. The dusts showed a strong positive inter-correlation for the concentrations of Fe, Mn, Cr, Zn, Pb, and Cu in addition to magnetic susceptibility, which suggests that the dusts had a common source for the heavy metals and magnetic carriers. We found that the dust particles were composed mainly of Fe-rich near-spherical, plate and agglomerate particles, and Ca-rich, S-rich and silicate particles, and that iron oxide spherules (0.2-0.5 μm in diameter) and larger iron-bearing particles were the magnetic carriers. Ca in the dusts was present in the forms of CaCO 3 and CaCO 3/CaSO 4 internal mixture. The Fe-rich, Ca-rich and S-rich particles in dusts could be directly related to nearby polluting activities, such as coal combustion, traffic emission and industrial activity. The identification of the main sources of dusts on tree leaves can help in controlling the polluting sources in urban areas. The close correlation between magnetic susceptibility and heavy metal concentration makes it possible to use the magnetic technique as a non-destructive and time-efficient tool for biomonitoring of the atmospheric dust pollutants.

  7. Sub-Angstrom Atomic-Resolution Imaging of Heavy Atoms to Light Atoms

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Shao-Horn, Yang


    Three decades ago John Cowley and his group at ASU achieved high-resolution electron microscope images showing the crystal unit cell contents at better than 4Angstrom resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with Cs-corrected lenses and monochromated electron beams.

  8. Single atom electrochemical and atomic analytics (United States)

    Vasudevan, Rama

    In the past decade, advances in electron and scanning-probe based microscopies have led to a wealth of imaging and spectroscopic data with atomic resolution, yielding substantial insight into local physics and chemistry in a diverse range of systems such as oxide catalysts, multiferroics, manganites, and 2D materials. However, typical analysis of atomically resolved images is limited, despite the fact that image intensities and distortions of the atoms from their idealized positions contain unique information on the physical and chemical properties inherent to the system. Here, we present approaches to data mine atomically resolved images in oxides, specifically in the hole-doped manganite La5/8Ca3/8MnO3, on epitaxial films studied by in-situ scanning tunnelling microscopy (STM). Through application of bias to the STM tip, atomic-scale electrochemistry is demonstrated on the manganite surface. STM images are then further analyzed through a suite of algorithms including 2D autocorrelations, sliding window Fourier transforms, and others, and can be combined with basic thermodynamic modelling to reveal relevant physical and chemical descriptors including segregation energies, existence and strength of atomic-scale diffusion barriers, surface energies and sub-surface chemical species identification. These approaches promise to provide tremendous insights from atomically resolved functional imaging, can provide relevant thermodynamic parameters, and auger well for use with first-principles calculations to yield quantitative atomic-level chemical identification and structure-property relations. This research was sponsored by the Division of Materials Sciences and Engineering, BES, DOE. Research was conducted at the Center for Nanophase Materials Sciences, which also provided support and is a DOE Office of Science User Facility.

  9. Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center. (United States)

    Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel


    The two MeCN ligands in [Ru(2-C6H4-2'-Py-κC,N)(Phen, trans-C)(MeCN)2]PF6 (1), both trans to a sp(2) hybridized N atom, cannot be substituted by any other ligand. In contrast, the isomerized derivative [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(MeCN)2]PF6 (2), in which one MeCN ligand is now trans to the C atom of the phenyl ring orthometalated to Ru, leads to fast and quantitative substitution reactions with several monodentate ligands. With PPh3, 2 affords [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(PPh3)(MeCN)]PF6 (3), in which PPh3 is trans to the C σ bound to Ru. Compound 3 is not kinetically stable, because, under thermodynamic control, it leads to 4, in which the PPh3 is trans to a N atom of the Phen ligand. Dimethylsulfoxide (DMSO) can also substitute a MeCN ligand in 2, leading to 5, in which DMSO is coordinated to Ru via its S atom trans to the N atom of the Phen ligand, the isomer under thermodynamic control being the only compound observed. We also found evidence for the fast to very fast substitution of MeCN in 2 by water or a chloride anion by studying the electronic spectra of 2 in the presence of water or NBu4Cl, respectively. An isomerization related to that observed between 3 and 4 is also found for the known monophosphine derivative [Ru(2-C6H4-2'-Py-κC,N)(PPh3, trans-C)(MeCN)3]PF6 (10), in which the PPh3 is located trans to the C of the cyclometalated 2-phenylpyridine, since, upon treatment by refluxing MeCN, it leads to its isomer 11, [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(MeCN)3]PF6. Further substitutions are also observed on 11, whereby N^N chelates (N^N = 2,2'-bipyridine and phenanthroline) substitute two MeCN ligands, affording [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(N^N)(MeCN)]PF6 (12a and 12b). Altogether, the behavior of the obtained complexes by ligand substitution reactions can be rationalized by an antisymbiotic effect on the Ru center, trans to the C atom of the cyclometalated unit, leading to compounds having the least nucleophilic ligand trans to C

  10. Insights inot the atomic many-particle dynamics of scattering processes by ab-initio calculations; Einblicke in die atomare Vielteilchendynamik von Streuprozessen durch ab-initio-Rechnungen

    Energy Technology Data Exchange (ETDEWEB)

    Zapukhlyak, Myroslav


    The present thesis gives a theoretical contribution to the understanding of the many-particle dynamics in inelastic ion-atom collisions. Many-electron dynamics in ion-helium collisions and proton-sodium collisions was theoretically studied. The description is based on the semiclassical approximation with the straight orbit for the projectile motion. The ion-atom collision problem is by this reduced to a time-dependent many-electron problem and in the non-relativistic approximation described by the time-dependent Schroedinger equation. The solution of the many-electron problem pursues in the framework of the time-dependent density functional theory. The time-dependent Schroedinger equation for the interacting many-electron problem is transformed to the system of the time-dependent Kohn-Sham equations and solved by the two-center-basis generator method. The unknown time-dependent exchange-correlation one-particle potential forces different approximation in the time-dependent Kohn-Shan scheme. In this thesis the model of the independent electrons was applied as basis model, in which the electron-electron correlation is consistently neglected in all parts and in all steps. Differential cross sections for different one- and two-electron processes were calculated in the so-called eikonal approximation for the collisional systems p-He, He{sup 2+}-He, and Ar{sup q+}-He (q=15-18). [German] Die vorliegende Arbeit leistet einen theoretischen Beitrag zum Verstaendnis der Vielteilchendynamik in inelastischen Ion-Atom-Stoessen. Vielelektronendynamik in Ion-Helium-Stoessen und Proton-Natrium-Stoessen wurde theoretisch untersucht. Die Beschreibung basiert auf der semiklassischen Naeherung mit der geraden Bahn fuer die Projektilbewegung. Das Ion-Atom- Stossproblem wird damit auf ein zeitabhaengiges Vielelektronenproblem reduziert und in der nichtrelativistischen Naeherung mit der zeitabhaengigen Schroedinger-Gleichung beschrieben. Die Loesung des Vielelektronenproblems erfolgt im

  11. Davisson-Germer Prize in Atomic or Surface Physics: The COLTRIMS multi-particle imaging technique-new Insight into the World of Correlation (United States)

    Schmidt-Bocking, Horst


    The correlated many-particle dynamics in Coulombic systems, which is one of the unsolved fundamental problems in AMO-physics, can now be experimentally approached with so far unprecedented completeness and precision. The recent development of the COLTRIMS technique (COLd Target Recoil Ion Momentum Spectroscopy) provides a coincident multi-fragment imaging technique for eV and sub-eV fragment detection. In its completeness it is as powerful as the bubble chamber in high energy physics. In recent benchmark experiments quasi snapshots (duration as short as an atto-sec) of the correlated dynamics between electrons and nuclei has been made for atomic and molecular objects. This new imaging technique has opened a powerful observation window into the hidden world of many-particle dynamics. Recent multiple-ionization studies will be presented and the observation of correlated electron pairs will be discussed.

  12. Relationship between population of the fibril-prone conformation in the monomeric state and oligomer formation times of peptides: Insights from all-atom simulations (United States)

    Nam, Hoang Bao; Kouza, Maksim; Zung, Hoang; Li, Mai Suan


    Despite much progress in understanding the aggregation process of biomolecules, the factors that govern its rates have not been fully understood. This problem is of particular importance since many conformational diseases such as Alzheimer, Parkinson, and type-II diabetes are associated with the protein oligomerization. Having performed all-atom simulations with explicit water and various force fields for two short peptides KFFE and NNQQ, we show that their oligomer formation times are strongly correlated with the population of the fibril-prone conformation in the monomeric state. The larger the population the faster the aggregation process. Our result not only suggests that this quantity plays a key role in the self-assembly of polypeptide chains but also opens a new way to understand the fibrillogenesis of biomolecules at the monomeric level. The nature of oligomer ordering of NNQQ is studied in detail.

  13. Structure of GES-1 at Atomic Resolution: Insights Into the Evolution of Carbapenamase Activity in the Class a Extended-Spectrum Beta-Lactamases

    Energy Technology Data Exchange (ETDEWEB)

    Smith, C.A.; /SLAC, SSRL; Caccamo, M.; /Notre Dame U.; Kantardjieff, K.A.; /Cal State, Fullerton; Vakulenko, S.; /Notre Dame U.


    The structure of the class A extended-spectrum {beta}-lactamase GES-1 from Klebsiella pneumoniae has been determined to 1.1 Angstrom resolution. GES-1 has the characteristic active-site disulfide bond of the carbapenemase family of {beta}-lactamases and has a structure that is very similar to those of other known carbapenemases, including NMC-A, SME-1 and KPC-2. Most residues implicated in the catalytic mechanism of this class of enzyme are present in the GES-1 active site, including Ser70, which forms a covalent bond with the carbonyl C atom of the {beta}-lactam ring of the substrate during the formation of an acyl-enzyme intermediate, Glu166, which is implicated as both the acylation and deacylation base, and Lys73, which is also implicated as the acylation base. A water molecule crucial to catalysis is observed in an identical location as in other class A {beta}-lactamases, interacting with the side chains of Ser70 and Glu166. One important residue, Asn170, also normally a ligand for the hydrolytic water, is missing from the GES-1 active site. This residue is a glycine in GES-1 and the enzyme is unable to hydrolyze imipenem. This points to this residue as being critically important in the hydrolysis of this class of {beta}-lactam substrate. This is further supported by flexible-docking studies of imipenem with in silico-generated Gly170Asn and Gly170Ser mutant GES-1 enzymes designed to mimic the active sites of imipenem-hydrolyzing point mutants GES-2 and GES-5.

  14. Crystal structure of an antifungal osmotin-like protein from Calotropis procera and its effects on Fusarium solani spores, as revealed by atomic force microscopy: Insights into the mechanism of action. (United States)

    Ramos, Marcio V; de Oliveira, Raquel S B; Pereira, Humberto M; Moreno, Frederico B M B; Lobo, Marina D P; Rebelo, Luciana M; Brandão-Neto, José; de Sousa, Jeanlex S; Monteiro-Moreira, Ana C O; Freitas, Cléverson D T; Grangeiro, Thalles Barbosa


    CpOsm is an antifungal osmotin/thaumatin-like protein purified from the latex of Calotropis procera. The protein is relatively thermostable and retains its antifungal activity over a wide pH range; therefore, it may be useful in the development of new antifungal drugs or transgenic crops with enhanced resistance to phytopathogenic fungi. To gain further insight into the mechanism of action of CpOsm, its three-dimensional structure was determined, and the effects of the protein on Fusarium solani spores were investigated by atomic force microscopy (AFM). The atomic structure of CpOsm was solved at a resolution of 1.61Å, and it contained 205 amino acid residues and 192 water molecules, with a final R-factor of 18.12% and an Rfree of 21.59%. The CpOsm structure belongs to the thaumatin superfamily fold and is characterized by three domains stabilized by eight disulfide bonds and a prominent charged cleft, which runs the length of the front side of the molecule. Similarly to other antifungal thaumatin-like proteins, the cleft of CpOsm is predominantly acidic. AFM images of F. solani spores treated with CpOsm resulted in striking morphological changes being induced by the protein. Spores treated with CpOsm were wrinkled, and the volume of these cells was reduced by approximately 80%. Treated cells were covered by a shell of CpOsm molecules, and the leakage of cytoplasmic content from these cells was also observed. Based on the structural features of CpOsm and the effects that the protein produces on F. solani spores, a possible mechanism of action is suggested and discussed. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)


    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  16. Atomic Physics

    CERN Document Server

    Foot, Christopher J


    This text will thoroughly update the existing literature on atomic physics. Intended to accompany an advanced undergraduate course in atomic physics, the book will lead the students up to the latest advances and the applications to Bose-Einstein Condensation of atoms, matter-wave inter-ferometry and quantum computing with trapped ions. The elementary atomic physics covered in the early chapters should be accessible to undergraduates when they are first introduced to the subject. To complement. the usual quantum mechanical treatment of atomic structure the book strongly emphasizes the experimen

  17. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Haller, E.


    Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

  18. Electron dose dependence of signal-to-noise ratio, atom contrast and resolution in transmission electron microscope images

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Z., E-mail:; Rose, H.; Lehtinen, O.; Biskupek, J.; Kaiser, U.


    In order to achieve the highest resolution in aberration-corrected (AC) high-resolution transmission electron microscopy (HRTEM) images, high electron doses are required which only a few samples can withstand. In this paper we perform dose-dependent AC-HRTEM image calculations, and study the dependence of the signal-to-noise ratio, atom contrast and resolution on electron dose and sampling. We introduce dose-dependent contrast, which can be used to evaluate the visibility of objects under different dose conditions. Based on our calculations, we determine optimum samplings for high and low electron dose imaging conditions. - Highlights: • The definition of dose-dependent atom contrast is introduced. • The dependence of the signal-to-noise ratio, atom contrast and specimen resolution on electron dose and sampling is explored. • The optimum sampling can be determined according to different dose conditions.

  19. Atomic physics

    CERN Document Server

    Born, Max


    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  20. Early Atomism

    Indian Academy of Sciences (India) Keywords. Atomic theory; Avogadro's hypothesis; atomic weights; periodic table; valence; molecular weights; molecular formula; isomerism. Author Affiliations. S Ramasesha1. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, ...

  1. HRTEM Study of Oxide Nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y2O3 ODS Steel

    Energy Technology Data Exchange (ETDEWEB)

    Hsiung, L; Fluss, M; Wall, M; Kimura, A


    Crystal and interfacial structures of oxide nanoparticles in 16Cr-4Al-2W-0.3Ti-0.3Y{sub 2}O{sub 3} ODS ferritic steel have been examined using high-resolution transmission electron microscopy (HRTEM) techniques. Oxide nanoparticles with a complex-oxide core and an amorphous shell were frequently observed. The crystal structure of complex-oxide core is identified to be mainly monoclinic Y{sub 4}Al{sub 2}O{sub 9} (YAM) oxide compound. Orientation relationships between the oxide and matrix are found to be dependent on the particle size. Large particles (> 20 nm) tend to be incoherent and have a spherical shape, whereas small particles (< 10 nm) tend to be coherent or semi-coherent and have a faceted interface. The observations of partially amorphous nanoparticles lead us to propose three-stage mechanisms to rationalize the formation of oxide nanoparticles containing core/shell structures in as-fabricated ODS steels.

  2. Atomic theories

    CERN Document Server

    Loring, FH


    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec

  3. Atomic resolution imaging and spectroscopy of barium atoms and functional groups on graphene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Boothroyd, C.B., E-mail: [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Moreno, M.S. [Centro Atómico Bariloche, 8400 – San Carlos de Bariloche (Argentina); Duchamp, M.; Kovács, A. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Monge, N.; Morales, G.M.; Barbero, C.A. [Department of Chemistry, Universidad Nacional de Río Cuarto, X5804BYA Río Cuarto (Argentina); Dunin-Borkowski, R.E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany)


    We present an atomic resolution transmission electron microscopy (TEM) and scanning TEM (STEM) study of the local structure and composition of graphene oxide modified with Ba{sup 2+}. In our experiments, which are carried out at 80 kV, the acquisition of contamination-free high-resolution STEM images is only possible while heating the sample above 400 °C using a highly stable heating holder. Ba atoms are identified spectroscopically in electron energy-loss spectrum images taken at 800 °C and are associated with bright contrast in high-angle annular dark-field STEM images. The spectrum images also show that Ca and O occur together and that Ba is not associated with a significant concentration of O. The electron dose used for spectrum imaging results in beam damage to the specimen, even at elevated temperature. It is also possible to identify Ba atoms in high-resolution TEM images acquired using shorter exposure times at room temperature, thereby allowing the structure of graphene oxide to be studied using complementary TEM and STEM techniques over a wide range of temperatures. - Highlights: • Graphene oxide modified with Ba{sup 2+} was imaged using TEM and STEM at 80 kV. • High-resolution images and spectra were obtained only by heating above 400 °C. • Elemental maps show the distribution of C, Ba, O and Ca on the graphene oxide. • Single Ba atoms were identified in STEM HAADF and HRTEM images.

  4. Atomic Power

    African Journals Online (AJOL)

    Atomic Power. By Denis Taylor: Dr. Taylor was formerly Chief UNESCO Advisor at the University. College, Nairobi, Kenya and is now Professor of Electrical Engineering in the Uni- versity of ... method of producing radioactive isotopes, which are materials .... the sealing and the pressure balancing, all can be carried out ...

  5. High-energy atomic physics

    CERN Document Server

    Drukarev, Evgeny G


    This self-contained text introduces readers to the field of high-energy atomic physics - a new regime of photon-atom interactions in which the photon energies significantly exceed the atomic or molecular binding energies, and which opened up with the recent advent of new synchrotron sources. From a theoretical point of view, a small-parameter characteristic of the bound system emerged, making it possible to perform analytic perturbative calculations that can in turn serve as benchmarks for more powerful numerical computations. The first part of the book introduces readers to the foundations of this new regime and its theoretical treatment. In particular, the validity of the small-parameter perturbation expansion and of the lowest-order approximation is critically reviewed. The following chapters then apply these insights to various atomic processes, such as photoionization as a many-body problem, dominant mechanisms for the production of ions at higher energies, Compton scattering and ionization accompanied b...

  6. Atomic arias (United States)

    Crease, Robert P.


    The American composer John Adams uses opera to dramatize controversial current events. His 1987 work Nixon in China was about the landmark meeting in 1972 between US President Richard Nixon and Chairman Mao Zedong of China; The Death of Klinghoffer (1991) was a musical re-enactment of an incident in 1985 when Palestinian terrorists kidnapped and murdered a wheelchair-bound Jewish tourist on a cruise ship. Adams's latest opera, Doctor Atomic, is also tied to a controversial event: the first atomic-bomb test in Alamogordo, New Mexico, on 16 June 1945. The opera premièred in San Francisco in 2005, had a highly publicized debut at the Metropolitan Opera in New York in 2008, and will have another debut on 25 February - with essentially the same cast - at the English National Opera in London.

  7. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.


    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  8. Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO{sub 2} interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Jialin; Ma, Tianbao [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Zhang, Weiwei; Psofogiannakis, George; Duin, Adri C.T. van [Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802 (United States); Chen, Lei; Qian, Linmao [Tribology Research Institute, Key Laboratory of Advanced Technologies of Materials (Ministry of Education), Southwest Jiaotong University, Chengdu 610031 (China); Hu, Yuanzhong [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China); Lu, Xinchun, E-mail: [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)


    Highlights: • New ReaxFF reactive force field was applied to simulate the tribochemical wear process at Si/SiO{sub 2} interface. • Wear of silicon atoms is due to the breaking of Si–O–Si bonds and Si–Si–O–Si bond chains on the Si substrate. • Interfacial bridge bonds play an important role during the tribochemical wear process. • Higher pressures applied to the silica phase can cause more Si atoms to be removed by forming more interfacial bridge bonds. • Water plays an opposing role in the wear process because of its both chemical and mechanical effects. - Abstract: In this work, the atomic mechanism of tribochemical wear of silicon at the Si/SiO{sub 2} interface in aqueous environment was investigated using ReaxFF molecular dynamics (MD) simulations. Two types of Si atom removal pathways were detected in the wear process. The first is caused by the destruction of stretched Si–O–Si bonds on the Si substrate surface and is assisted by the attachment of H atoms on the bridging oxygen atoms of the bonds. The other is caused by the rupture of Si–Si bonds in the stretched Si–Si–O–Si bond chains at the interface. Both pathways effectively remove Si atoms from the silicon surface via interfacial Si–O–Si bridge bonds. Our simulations also demonstrate that higher pressures applied to the silica phase can cause more Si atoms to be removed due to the formation of increased numbers of interfacial Si–O–Si bridge bonds. Besides, water plays a dual role in the wear mechanism, by oxidizing the Si substrate surface as well as by preventing the close contact of the surfaces. This work shows that the removal of Si atoms from the substrate is a result of both chemical reaction and mechanical effects and contributes to the understanding of tribochemical wear behavior in the microelectromechanical systems (MEMS) and Si chemical mechanical polishing (CMP) process.

  9. Atom Skimmers and Atom Lasers Utilizing Them (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.


    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  10. Imaging Lithium Atoms at Sub-Angstrom Resolution

    Energy Technology Data Exchange (ETDEWEB)

    O' Keefe, Michael A.; Shao-Horn, Yang


    John Cowley and his group at ASU were pioneers in the use of transmission electron microscopy (TEM) for high-resolution imaging. Three decades ago they achieved images showing the crystal unit cell content at better than 4A resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with CS-corrected lenses and monochromated electron beams.

  11. Atomic bonding between metal and graphene

    KAUST Repository

    Wang, Hongtao


    To understand structural and chemical properties of metal-graphene composites, it is crucial to unveil the chemical bonding along the interface. We provide direct experimental evidence of atomic bonding between typical metal nano structures and graphene, agreeing well with density functional theory studies. Single Cr atoms are located in the valleys of a zigzag edge, and few-atom ensembles preferentially form atomic chains by self-assembly. Low migration barriers lead to rich dynamics of metal atoms and clusters under electron irradiation. We demonstrate no electron-instigated interaction between Cr clusters and pristine graphene, though Cr has been reported to be highly reactive to graphene. The metal-mediated etching is a dynamic effect between metal clusters and pre-existing defects. The resolved atomic configurations of typical nano metal structures on graphene offer insight into modeling and simulations on properties of metal-decorated graphene for both catalysis and future carbon-based electronics. © 2013 American Chemical Society.

  12. High Atom Number in Microsized Atom Traps (United States)


    Final Performance Report on ONR Grant N00014-12-1-0608 High atom number in microsized atom traps for the period 15 May 2012 through 14 September...TYPE Final Technical Report 3. DATES COVERED (From - To) 05/15/2012-09/14/2012 4. TITLE AND SUBTITLE High atom number in microsized atom traps...forces for implementing a small-footprint, large-number atom -chip instrument. Bichromatic forces rely on absorption and stimulated emission to produce

  13. "Bohr's Atomic Model." (United States)

    Willden, Jeff


    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  14. Africa Insight

    African Journals Online (AJOL)

    Africa Insight is a quarterly, peer-reviewed journal of the Africa Institute of South Africa. It is accredited by the South African National Department of Higher Education and Training (DHET) and is indexed in the International Bibliography of Social Science (IBSS). It is a multi-disciplinary journal primarily focusing on African ...

  15. Vortices and turbulence in trapped atomic condensates (United States)

    White, Angela C.; Anderson, Brian P.; Bagnato, Vanderlei S.


    After more than a decade of experiments generating and studying the physics of quantized vortices in atomic gas Bose–Einstein condensates, research is beginning to focus on the roles of vortices in quantum turbulence, as well as other measures of quantum turbulence in atomic condensates. Such research directions have the potential to uncover new insights into quantum turbulence, vortices, and superfluidity and also explore the similarities and differences between quantum and classical turbulence in entirely new settings. Here we present a critical assessment of theoretical and experimental studies in this emerging field of quantum turbulence in atomic condensates. PMID:24704880

  16. New insights into the toxicity of mineral fibres: A combined in situ synchrotron μ-XRD and HR-TEM study of chrysotile, crocidolite, and erionite fibres found in the tissues of Sprague-Dawley rats. (United States)

    Gualtieri, Alessandro F; Bursi Gandolfi, Nicola; Pollastri, Simone; Burghammer, Manfred; Tibaldi, Eva; Belpoggi, Fiorella; Pollok, Kilian; Langenhorst, Falko; Vigliaturo, Ruggero; Dražić, Goran


    Along the line of the recent research topic aimed at understanding the in vivo activity of mineral fibres and their mechanisms of toxicity, this work describes the morpho-chemical characteristics of the mineral fibres found in the tissues of Sprague-Dawley rats subjected to intraperitoneal/intrapleural injection of UICC chrysotile, UICC crocidolite and erionite-Na from Nevada (USA). The fibres are studied with in situ synchrotron powder diffraction and high resolution transmission electron microscopy to improve our understanding of the mechanisms of toxicity of these mineral fibres. In contact with the tissues of the rats, chrysotile fibres are prone to dissolve, with leaching of Mg and production of a silica rich relict. On the other hand, crocidolite and erionite-Na fibres are stable even for very long contact times within the tissues of the rats, showing just a thin dissolution amorphous halo. These findings support the model of a lower biopersistence of chrysotile with respect to crocidolite and erionite-Na but the formation of a silica-rich fibrous residue after the pseudo-amorphization of chrysotile may justify a higher cytotoxic potential and intense inflammatory activity of chrysotile in the short term in contact with the lung tissues. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon


    This book is written to teach atom structure in very easy way. It is divided into nine chapters, which indicates what is the components of matter? when we divide matter continuously, it becomes atom, what did atom look like? particles comprised of matter is not only atom, discover of particles comprised of atom, symbol of element, various radiation, form alchemy to nuclear transmutation, shape of atom is evolving. It also has various pictures in each chapters to explain easily.

  18. Playing pinball with atoms. (United States)

    Saedi, Amirmehdi; van Houselt, Arie; van Gastel, Raoul; Poelsema, Bene; Zandvliet, Harold J W


    We demonstrate the feasibility of controlling an atomic scale mechanical device by an external electrical signal. On a germanium substrate, a switching motion of pairs of atoms is induced by electrons that are directly injected into the atoms with a scanning tunneling microscope tip. By precisely controlling the tip current and distance we make two atom pairs behave like the flippers of an atomic-sized pinball machine. This atomic scale mechanical device exhibits six different configurations.

  19. Control the fear atomic

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jong Gwan [I and Book, Seoul (Korea, Republic of)


    This book has a lot of explanation of nuclear energy with articles. Their titles are the bad man likes atomic, the secret of atom, nuclear explosion, NPT?, the secret of uranium fuel rod, nuclear power plant vs nuclear bomb, I hate atomic, keep plutonium in control, atomic in peace and find out alternative energy.

  20. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan-Yu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)


    A nanoscale , microfabricated waveguide structure can in - principle be used to trap atoms in well - defined locations and enable strong photon-atom interactions . A neutral - atom platform based on this microfabrication technology will be prealigned , which is especially important for quantum - control applications. At present, there is still no reported demonstration of evanescent - field atom trapping using a microfabricated waveguide structure. We described the capabilities established by our team for future development of the waveguide atom - trapping technology at SNL and report our studies to overcome the technical challenges of loading cold atoms into the waveguide atom traps, efficient and broadband optical coupling to a waveguide, and the waveguide material for high - power optical transmission. From the atomic - physics and the waveguide modeling, w e have shown that a square nano-waveguide can be utilized t o achieve better atomic spin squeezing than using a nanofiber for first time.

  1. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J


    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  2. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


    This fifth volume of the successful series Advances in Atomic Spectroscopy continues to discuss and investigate the area of atomic spectroscopy.It begins with a description of the use of various atomic spectroscopic methods and applications of speciation studies in atomic spectroscopy. The emphasis is on combining atomic spectroscopy with gas and liquid chromatography. In chapter two the authors describe new developments in tunable lasers and the impact they will have on atomic spectroscopy. The traditional methods of detection, such as photography and the photomultiplier, and how they are being replaced by new detectors is discussed in chapter three. The very active area of glow discharge atomic spectrometry is presented in chapter four where, after a brief introduction and historical review, the use of glow discharge lamps for atomic spectroscopy and mass spectrometry are discussed. Included in this discussion is geometry and radiofrequency power. The future of this source in atomic spectroscopy is also dis...

  3. Atomic vapor density monitor

    Energy Technology Data Exchange (ETDEWEB)

    Sewall, N.; Harris, W.; Beeler, R.; Wooldridge, J.; Chen, H.L.


    This report presents information on the Atomic Vapor Density Monitor (AVDM) system that measures the density of a vapor by measuring the absorption of light from a swept-wavelength laser that passes through an atomic vapor stream.

  4. Atomic Spectra Database (ASD) (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  5. Playing Pinball with Atoms

    NARCIS (Netherlands)

    Saedi, A.; van Houselt, Arie; van Gastel, Raoul; Poelsema, Bene; Zandvliet, Henricus J.W.


    We demonstrate the feasibility of controlling an atomic scale mechanical device by an external electrical signal. On a germanium substrate, a switching motion of pairs of atoms is induced by electrons that are directly injected into the atoms with a scanning tunneling microscope tip. By precisely

  6. Atomic scale chemical tomography of human bone (United States)

    Langelier, Brian; Wang, Xiaoyue; Grandfield, Kathryn


    Human bone is a complex hierarchical material. Understanding bone structure and its corresponding composition at the nanometer scale is critical for elucidating mechanisms of biomineralization under healthy and pathological states. However, the three-dimensional structure and chemical nature of bone remains largely unexplored at the nanometer scale due to the challenges associated with characterizing both the structural and chemical integrity of bone simultaneously. Here, we use correlative transmission electron microscopy and atom probe tomography for the first time, to our knowledge, to reveal structures in human bone at the atomic level. This approach provides an overlaying chemical map of the organic and inorganic constituents of bone on its structure. This first use of atom probe tomography on human bone reveals local gradients, trace element detection of Mg, and the co-localization of Na with the inorganic-organic interface of bone mineral and collagen fibrils, suggesting the important role of Na-rich organics in the structural connection between mineral and collagen. Our findings provide the first insights into the hierarchical organization and chemical heterogeneity in human bone in three-dimensions at its smallest length scale - the atomic level. We demonstrate that atom probe tomography shows potential for new insights in biomineralization research on bone.

  7. Atomic Physics 15: Proceedings of the Fifteenth International Conference on Atomic Physics. (United States)

    van Linden van den Heuvell, H. B.; Walraven, J. T. M.; Reynolds, M. W.


    The Table of Contents for the full book PDF is as follows: * Preface * Generation of a "Schrödinger cat" of radiation and observation of its decoherence * Synthesis of entangled states and quantum computing * Entangled states of atomic ions for quantum metrology and computation * Entanglement and indistinguishability: Coherence experiments with photon pairs and triplets * Atom optics as a testing ground for quantum chaos * Coherent ultra-bright XUV lasers and harmonics * Hollow atoms * Interdisciplinary experiments with polarized noble gases * The creation and study of Bose-Einstein condensation in a cold alkali vapor * oscopic quantum phenomena in trapped Bose-condensed gases * Doppler-free spectroscopy of trapped atomic hydrogen * QED and the ground state of helium * Towards coherent atomic samples using laser cooling * Bose-Einstein condensation of a weakly-interacting gas * Zeeman and his contemporaries: Dutch physics around 1900 * Zeeman's great discovery * The Zeeman effect: A tool for atom manipulation * The Zeeman effect a century later: New insights into classical physics * QED effects in few-electron high-Z systems * Lamb shift experiments on high-Z one- and two-electron systems * Fundamental constants of nature * Response of atoms in photonic lattices * Hydrogen-like systems and quantum electrodynamics * New experiments with atomic lattices bound by light * Bloch oscillations of atoms in an optical potential * Quantum decoherence and inertial sensing with atom interferometers * Quantum effects in He clusters * Atoms in super-intense radiation fields * Wave packet dynamics of excited atomic electrons in intense laser fields * Nonlinear laser-electron scattering * Comparing the antiproton and proton and progress toward cold antihydrogen * Author Index

  8. Atomization characteristics of a prefilming airblast atomizer (United States)

    Hayashi, Shigeru; Koito, Atsushi; Hishiki, Manabu


    The size distribution of water test sprays generated by a prefilming airblast atomizer used for aeroengines was measured in swirling and non-swirling flows with the well established laser scattering particle sizing technique. Atomizing air velocity (or pressure difference) was varied in a range wider than the conditions of actual engines. The Sauter Mean Diameter (SMD) decreased at approximately a 1.5 power of the atomizing air velocity, being a higher velocity index than the previously reported values of 1 to 1.2. It was unexpectedly found that the effect of the liquid/air flow ratio was small. Since swirling flow increased the SMD at lower air velocities yet decreased it at higher ones, it is suggested that the reverse flow near the nozzle pintle adversely affects atomization.

  9. The infancy of atomic physics Hercules in his cradle

    CERN Document Server

    Keller, Alex


    Atomic physics is a mighty Hercules that dominates modern civilization, promising immense reserves of power but threatening catastrophic war and radioactive pollution. The story of the atom's discovery and the development of techniques to harness its energy offers fascinating insights into the forces behind twenty-first-century technology. This compelling history portrays the human faces and lives behind the beginnings of atomic science.The Infancy of Atomic Physics ranges from experiments in the 1880s by William Crookes and others to the era just after the First World War, when Rutherford's f

  10. Multilevel Atomic Coherent States and Atomic Holomorphic Representation (United States)

    Cao, Chang-Qi; Haake, Fritz


    The notion of atomic coherent states is extended to the case of multilevel atom collective. Based on atomic coherent states, a holomorphic representation for atom collective states and operators is defined. An example is given to illustrate its application.

  11. Long range intermolecular forces in triatomic systems: connecting the atom-diatom and atom-atom-atom representations


    Cvitas, Marko T.; Soldan, Pavel; Hutson, Jeremy M.


    The long-range forces that act between three atoms are analysed in both atom-diatom and atom-atom-atom representations. Expressions for atom-diatom dispersion coefficients are obtained in terms of 3-body nonadditive coefficients. The anisotropy of atom-diatom C_6 dispersion coefficients arises primarily from nonadditive triple-dipole and quadruple-dipole forces, while pairwise-additive forces and nonadditive triple-dipole and dipole-dipole-quadrupole forces contribute significantly to atom-di...

  12. Niels Bohr and the quantum atom the Bohr model of atomic structure 1913-1925

    CERN Document Server

    Kragh, Helge


    Niels Bohr and the Quantum Atom is the first book that focuses in detail on the birth and development of Bohr's atomic theory and gives a comprehensive picture of it. At the same time it offers new insight into Bohr's peculiar way of thinking, what Einstein once called his 'unique instinct and tact'. Contrary to most other accounts of the Bohr atom, the book presents it in a broader perspective which includes the reception among other scientists and the criticism launched against it by scientists of a more conservative inclination. Moreover, it discusses the theory as Bohr originally conceived it, namely, as an ambitious theory covering the structure of atoms as well as molecules. By discussing the theory in its entirety it becomes possible to understand why it developed as it did and thereby to use it as an example of the dynamics of scientific theories.

  13. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant


    Much of our understanding of physics in the last 30-plus years has come from research on atoms, photons, and their interactions. Collecting information previously scattered throughout the literature, Modern Atomic Physics provides students with one unified guide to contemporary developments in the field. After reviewing metrology and preliminary material, the text explains core areas of atomic physics. Important topics discussed include the spontaneous emission of radiation, stimulated transitions and the properties of gas, the physics and applications of resonance fluorescence, coherence, cooling and trapping of charged and neutral particles, and atomic beam magnetic resonance experiments. Covering standards, a different way of looking at a photon, stimulated radiation, and frequency combs, the appendices avoid jargon and use historical notes and personal anecdotes to make the topics accessible to non-atomic physics students. Written by a leader in atomic and optical physics, this text gives a state-of-the...

  14. Single atom microscopy. (United States)

    Zhou, Wu; Oxley, Mark P; Lupini, Andrew R; Krivanek, Ondrej L; Pennycook, Stephen J; Idrobo, Juan-Carlos


    We show that aberration-corrected scanning transmission electron microscopy operating at low accelerating voltages is able to analyze, simultaneously and with single atom resolution and sensitivity, the local atomic configuration, chemical identities, and optical response at point defect sites in monolayer graphene. Sequential fast-scan annular dark-field (ADF) imaging provides direct visualization of point defect diffusion within the graphene lattice, with all atoms clearly resolved and identified via quantitative image analysis. Summing multiple ADF frames of stationary defects produce images with minimized statistical noise and reduced distortions of atomic positions. Electron energy-loss spectrum imaging of single atoms allows the delocalization of inelastic scattering to be quantified, and full quantum mechanical calculations are able to describe the delocalization effect with good accuracy. These capabilities open new opportunities to probe the defect structure, defect dynamics, and local optical properties in 2D materials with single atom sensitivity.

  15. Solar Spectroscopy: Atomic Processes (United States)

    Mason, H.; Murdin, P.


    A Greek philosopher called DEMOCRITUS (c. 460-370 BC) first introduced the concept of atoms (which means indivisible). His atoms do not precisely correspond to our atoms of today, which are not indivisible, but made up of a nucleus (protons with positive charge and neutrons which have no charge) and orbiting electrons (with negative charge). Indeed, in the solar atmosphere, the temperature is suc...

  16. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


    This series describes selected advances in the area of atomic spectroscopy. It is primarily intended for the reader who has a background in atmoic spectroscopy; suitable to the novice and expert. Although a widely used and accepted method for metal and non-metal analysis in a variety of complex samples, Advances in Atomic Spectroscopy covers a wide range of materials. Each Chapter will completely cover an area of atomic spectroscopy where rapid development has occurred.

  17. The atomic-scale mechanism for the enhanced glass-forming-ability of a Cu-Zr based bulk metallic glass with minor element additions. (United States)

    Wang, Q; Liu, C T; Yang, Y; Liu, J B; Dong, Y D; Lu, J


    It is known that the glass forming-ability (GFA) of bulk metallic glasses (BMGs) can be greatly enhanced via minor element additions. However, direct evidence has been lacking to reveal its structural origin despite different theories hitherto proposed. Through the high-resolution transmission-electron-microscopy (HRTEM) analysis, here we show that the content of local crystal-like orders increases significantly in a Cu-Zr-Al BMG after a 2-at% Y addition. Contrasting the previous studies, our current results indicate that the formation of crystal-like order at the atomic scale plays an important role in enhancing the GFA of the Cu-Zr-Al base BMG.

  18. The use of NaX zeolite as a template to obtain a mono-atomic Pt dispersion by impregnation with Pt(II acetylacetonate/acetone solution

    Directory of Open Access Journals (Sweden)



    Full Text Available The incorporation of platinum into the cavities of NaX zeolite was realized by impregnation and thermal decomposition of the organometallic compound Pt(II-acetylacetonate dissolved in acetone. A high dispersion of platinum to predominantly mono-atomic particles was achieved thanks to the tight fit of the Pt(II-acetylacetonate molecules in the aperture of the zeolite supercage. Using the high angle annular dark field imaging technique of HRTEM, individual Pt particles situated within the zeolite crystals were, for the first time, clearly visible. This offers new possibilities of studying the distribution of incorporated metal particles along the crystal depth.

  19. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip


    Explores the atoms that govern chemical processes. This book shows how the interactions between simple substances such as salt and water are crucial to life on Earth and how those interactions are predestined by the atoms that make up the molecules.

  20. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

    A Refresher Course in Applications of Quantum Mechanics to 'Atoms, Molecules and Radiation' will be held at the Indian Academy of Sciences, Bangalore from December 8 to 20. 2014. The Course is primarily aimed at teachers teaching quantum mechanics and/ or atomic and molecular physics at the UG / PG level.

  1. When Atoms Want (United States)

    Talanquer, Vicente


    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  2. Atomicity in Electronic Commerce, (United States)


    Atomicity in Electronic Commerce J. D. Tygar January 1996 CMU-CS-96-112 School of Computer Science Carnegie Mellon University Pittsburgh, PA 15213...other research sponsor. Keywords: electronic commerce , atomicity, NetBill, IBIP, cryptography, transaction pro- cessing, ACID, franking, electronic ...goods over networks. Electronic commerce has inspired a large variety of work. Unfortunately, much of that work ignores traditional transaction

  3. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald


    This expanded and updated well-established textbook contains an advanced presentation of quantum mechanics adapted to the requirements of modern atomic physics. It includes topics of current interest such as semiclassical theory, chaos, atom optics and Bose-Einstein condensation in atomic gases. In order to facilitate the consolidation of the material covered, various problems are included, together with complete solutions. The emphasis on theory enables the reader to appreciate the fundamental assumptions underlying standard theoretical constructs and to embark on independent research projects. The fourth edition of Theoretical Atomic Physics contains an updated treatment of the sections involving scattering theory and near-threshold phenomena manifest in the behaviour of cold atoms (and molecules). Special attention is given to the quantization of weakly bound states just below the continuum threshold and to low-energy scattering and quantum reflection just above. Particular emphasis is laid on the fundamen...

  4. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques


    This book gives an overview of atomic diffusion, a fundamental physical process, as applied to all types of stars, from the main sequence to neutron stars. The superficial abundances of stars as well as their evolution can be significantly affected. The authors show where atomic diffusion plays an essential role and how it can be implemented in modelling.  In Part I, the authors describe the tools that are required to include atomic diffusion in models of stellar interiors and atmospheres. An important role is played by the gradient of partial radiative pressure, or radiative acceleration, which is usually neglected in stellar evolution. In Part II, the authors systematically review the contribution of atomic diffusion to each evolutionary step. The dominant effects of atomic diffusion are accompanied by more subtle effects on a large number of structural properties throughout evolution. One of the goals of this book is to provide the means for the astrophysicist or graduate student to evaluate the importanc...

  5. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski


    Full Text Available The atoms of a regular language are non-empty intersections of complemented and uncomplemented quotients of the language. Tight upper bounds on the number of atoms of a language and on the quotient complexities of atoms are known. We introduce a new class of regular languages, called the maximally atomic languages, consisting of all languages meeting these bounds. We prove the following result: If L is a regular language of quotient complexity n and G is the subgroup of permutations in the transition semigroup T of the minimal DFA of L, then L is maximally atomic if and only if G is transitive on k-subsets of 1,...,n for 0 <= k <= n and T contains a transformation of rank n-1.

  6. Variational perturbation treatment of the confined hydrogen atom

    Energy Technology Data Exchange (ETDEWEB)

    Montgomery, H E Jr, E-mail: [Chemistry Program, Centre College, 600 West Walnut Street, Danville, KY 40422-1394 (United States)


    The Schroedinger equation for the ground state of a hydrogen atom confined at the centre of an impenetrable cavity is treated using variational perturbation theory. Energies calculated from variational perturbation theory are comparable in accuracy to the results from a direct numerical solution. The goal of this exercise is to introduce the student to the effects of confinement on atomic systems using a tractable problem from which insight into variational perturbation theory may be gained.

  7. Atomic Structure and Properties of Extended Defects in Silicon

    Energy Technology Data Exchange (ETDEWEB)

    Buczko, R.; Chisholm, M.F.; Kaplan, T.; Maiti, A.; Mostoller, M.; Pantelides, S.T.; Pennycook, S.J.


    The Z-contrast technique represents a new approach to high-resolution electron microscopy allowing for the first time incoherent imaging of materials on the atomic scale. The key advantages of the technique, an intrinsically higher resolution limit and directly interpretable, compositionally sensitive imaging, allow a new level of insight into the atomic configurations of extended defects in silicon. This experimental technique has been combined with theoretical calculations (a combination of first principles, tight binding, and classical methods) to extend this level of insight by obtaining the energetic and electronic structure of the defects.

  8. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico


    Single-Atom Nanoelectronics covers the fabrication of single-atom devices and related technology, as well as the relevant electronic equipment and the intriguing new phenomena related to single-atom and single-electron effects in quantum devices. It also covers the alternative approaches related to both silicon- and carbon-based technologies, also from the point of view of large-scale industrial production. The publication provides a comprehensive picture of the state of the art at the cutting edge and constitutes a milestone in the emerging field of beyond-CMOS technology. Although there are

  9. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W


    The fourth edition of Physics of the Atom is designed to meet the modern need for a better understanding of the atomic age. It is an introduction suitable for students with a background in university physics and mathematical competence at the level of calculus. This book is designed to be an extension of the introductory university physics course into the realm of atomic physics. It should give students a proficiency in this field comparable to their proficiency in mechanics, heat, sound, light, and electricity.

  10. Atomic-layer deposited thulium oxide as a passivation layer on germanium

    Energy Technology Data Exchange (ETDEWEB)

    Mitrovic, I. Z., E-mail:; Hall, S.; Weerakkody, A. D.; Sedghi, N. [Department of Electrical Engineering and Electronics, University of Liverpool, Brownlow Hill, Liverpool L69 3GJ (United Kingdom); Althobaiti, M.; Hesp, D.; Dhanak, V. R. [Department of Physics and Stephenson Institute for Renewable Energy, University of Liverpool, Liverpool L69 7ZF (United Kingdom); Santoni, A. [ENEA, Frascati Research Centre, via E. Fermi 45, 00044 Frascati (Italy); Chalker, P. R. [Department of Engineering, University of Liverpool, Brownlow Hill, Liverpool L69 3GH (United Kingdom); Henkel, C.; Dentoni Litta, E.; Hellström, P.-E.; Östling, M. [School of ICT, KTH Royal Institute of Technology, Isafjordsgatan 22, 164 40 Kista (Sweden); Tan, H.; Schamm-Chardon, S. [CEMES-CNRS and Université de Toulouse, nMat group, BP 94347, 31055 Toulouse Cedex 4 (France)


    A comprehensive study of atomic-layer deposited thulium oxide (Tm{sub 2}O{sub 3}) on germanium has been conducted using x-ray photoelectron spectroscopy (XPS), vacuum ultra-violet variable angle spectroscopic ellipsometry, high-resolution transmission electron microscopy (HRTEM), and electron energy-loss spectroscopy. The valence band offset is found to be 3.05 ± 0.2 eV for Tm{sub 2}O{sub 3}/p-Ge from the Tm 4d centroid and Ge 3p{sub 3/2} charge-corrected XPS core-level spectra taken at different sputtering times of a single bulk thulium oxide sample. A negligible downward band bending of ∼0.12 eV is observed during progressive differential charging of Tm 4d peaks. The optical band gap is estimated from the absorption edge and found to be 5.77 eV with an apparent Urbach tail signifying band gap tailing at ∼5.3 eV. The latter has been correlated to HRTEM and electron diffraction results corroborating the polycrystalline nature of the Tm{sub 2}O{sub 3} films. The Tm{sub 2}O{sub 3}/Ge interface is found to be rather atomically abrupt with sub-nanometer thickness. In addition, the band line-up of reference GeO{sub 2}/n-Ge stacks obtained by thermal oxidation has been discussed and derived. The observed low reactivity of thulium oxide on germanium as well as the high effective barriers for holes (∼3 eV) and electrons (∼2 eV) identify Tm{sub 2}O{sub 3} as a strong contender for interfacial layer engineering in future generations of scaled high-κ gate stacks on Ge.

  11. Atomic resolution non-contact atomic force microscopy of clean metal oxide surfaces. (United States)

    Lauritsen, J V; Reichling, M


    In the last two decades the atomic force microscope (AFM) has become the premier tool for topographical analysis of surface structures at the nanometre scale. In its ultimately sensitive implementation, namely dynamic scanning force microscopy (SFM) operated in the so-called non-contact mode (NC-AFM), this technique yields genuine atomic resolution and offers a unique tool for real space atomic-scale studies of surfaces, nanoparticles as well as thin films, single atoms and molecules on surfaces irrespective of the substrate being electrically conducting or non-conducting. Recent advances in NC-AFM have paved the way for groundbreaking atomic level insight into insulator surfaces, specifically in the most important field of metal oxides. NC-AFM imaging now strongly contributes to our understanding of the surface structure, chemical composition, defects, polarity and reactivity of metal oxide surfaces and related physical and chemical surface processes. Here we review the latest advancements in the field of NC-AFM applied to the fundamental atomic resolution studies of clean single crystal metal oxide surfaces with special focus on the representative materials Al(2)O(3)(0001), TiO(2)(110), ZnO(1000) and CeO(2)(111). © 2010 IOP Publishing Ltd

  12. Atomic & Molecular Interactions

    Energy Technology Data Exchange (ETDEWEB)



    The Gordon Research Conference (GRC) on Atomic & Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  13. The Casimir atomic pendulum

    Energy Technology Data Exchange (ETDEWEB)

    Razmi, H. [Department of Physics, University of Qom, Qom 37185-359 (Iran, Islamic Republic of)], E-mail:; Abdollahi, M. [Department of Physics, University of Qom, Qom 37185-359 (Iran, Islamic Republic of)], E-mail:


    We want to introduce an atomic pendulum whose driving force (torque) is due to the quantum vacuum fluctuations. Applying the well-known Casimir-Polder effect to a special configuration (a combined structure of an atomic nanostring and a conducting plate), an atomic pendulum (Casimir atomic pendulum) is designed. Using practically acceptable data corresponding to the already known world of nanotechnology and based on reasonable/reliable numerical estimates, the period of oscillation for the pendulum is computed. This pendulum can be considered as both a new micro(nano)-electromechanical system and a new simple vacuum machine. Its design may be considered as a first step towards realizing the visualized vacuum (Casimir) clock{exclamation_point}.

  14. The Casimir atomic pendulum (United States)

    Razmi, H.; Abdollahi, M.


    We want to introduce an atomic pendulum whose driving force (torque) is due to the quantum vacuum fluctuations. Applying the well-known Casimir-Polder effect to a special configuration (a combined structure of an atomic nanostring and a conducting plate), an atomic pendulum (Casimir atomic pendulum) is designed. Using practically acceptable data corresponding to the already known world of nanotechnology and based on reasonable/reliable numerical estimates, the period of oscillation for the pendulum is computed. This pendulum can be considered as both a new micro(nano)-electromechanical system and a new simple vacuum machine. Its design may be considered as a first step towards realizing the visualized vacuum (Casimir) clock!

  15. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


    This volume continues the series'' cutting-edge reviews on developments in this field. Since its invention in the 1920s, electrostatic precipitation has been extensively used in industrial hygiene to remove dust and particulate matter from gases before entering the atmosphere. This combination of electrostatic precipitation is reported upon in the first chapter. Following this, chapter two reviews recent advances in the area of chemical modification in electrothermal atomization. Chapter three consists of a review which deal with advances and uses of electrothermal atomization atomic absorption spectrometry. Flow injection atomic spectroscopy has developed rapidly in recent years and after a general introduction, various aspects of this technique are looked at in chapter four. Finally, in chapter five the use of various spectrometric techniques for the determination of mercury are described.

  16. Dalton's Atomic Theory

    National Research Council Canada - National Science Library



    WITH reference to the communications from the authors and from the reviewer of the "New View of the Origin of Dalton's Atomic Theory," published in NATURE for May 14, I beg leave to offer the following remarks...

  17. Atomic Interferometry Project (United States)

    National Aeronautics and Space Administration — Vertical cavity surface emitting lasers (VCSELs) is a new technology which can be used for developing high performance laser components for atom-based sensors...

  18. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E


    The study of atomic physics propelled us into the quantum age in the early twentieth century and carried us into the twenty-first century with a wealth of new and, in some cases, unexplained phenomena. Topics in Atomic Physics provides a foundation for students to begin research in modern atomic physics. It can also serve as a reference because it contains material that is not easily located in other sources. A distinguishing feature is the thorough exposition of the quantum mechanical hydrogen atom using both the traditional formulation and an alternative treatment not usually found in textbooks. The alternative treatment exploits the preeminent nature of the pure Coulomb potential and places the Lenz vector operator on an equal footing with other operators corresponding to classically conserved quantities. A number of difficult to find proofs and derivations are included as is development of operator formalism that permits facile solution of the Stark effect in hydrogen. Discussion of the classical hydrogen...

  19. Zeeman atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hadeishi, T.; McLaughlin, R.


    The design and development of a Zeeman atomic absorption spectrometer for trace element analysis are described. An instruction manual is included which details the operation, adjustment, and maintenance. Specifications and circuit diagrams are given. (WHK)

  20. Atomic Clocks Research - An Overview. (United States)


    magnet. Since atomic deflection in an inhomogeneous magnetic field is inversely proportional to the square of the atomic speed, the atomic velocity...purifier and controlled leak; an atomic source (i.e., the dissociator under 39 study); a dipole electromagnetic with pole pieces shaped to produce an...34Relaxation Magnetique d’Atomes de Rubidium sur des Parois Paraffines," J. Phys. (Paris) 24, 379 (1963). 21. S. Wexler, "Deposition of Atomic Beams

  1. Wave Atom Based Watermarking


    Bukhari, Ijaz; Nuhman-ul-Haq; Hyat, Khizar


    Watermarking helps in ensuring originality, ownership and copyrights of a digital image. This paper aims at embedding a Watermark in an image using Wave Atom Transform. Preference of Wave Atoms on other transformations has been due to its sparser expansion, adaptability to the direction of local pattern, and sharp frequency localization. In this scheme, we had tried to spread the watermark in an image so that the information at one place is very small and undetectable. In order to extract the...

  2. Hirshfeld atom refinement. (United States)

    Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan


    Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  3. Atoms, molecules & elements

    CERN Document Server

    Graybill, George


    Young scientists will be thrilled to explore the invisible world of atoms, molecules and elements. Our resource provides ready-to-use information and activities for remedial students using simplified language and vocabulary. Students will label each part of the atom, learn what compounds are, and explore the patterns in the periodic table of elements to find calcium (Ca), chlorine (Cl), and helium (He) through hands-on activities.

  4. Atomic Bomb Health Benefits


    Luckey, T. D.


    Media reports of deaths and devastation produced by atomic bombs convinced people around the world that all ionizing radiation is harmful. This concentrated attention on fear of miniscule doses of radiation. Soon the linear no threshold (LNT) paradigm was converted into laws. Scientifically valid information about the health benefits from low dose irradiation was ignored. Here are studies which show increased health in Japanese survivors of atomic bombs. Parameters include decreased mutation,...

  5. Comparing and contrasting nuclei and cold atomic gases

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas; Jensen, Aksel Stenholm


    The experimental revolution in ultracold atomic gas physics over the past decades has brought tremendous amounts of new insight to the world of degenerate quantum systems. Here we compare and contrast the developments of cold atomic gases with the physics of nuclei since many concepts, techniques...... (BEC) and Bardeen–Cooper–Schrieffer (BCS) theory, as well as the BCS–BEC crossover and the Fermi gas in the unitarity limit, all within the context of ultracold atoms. Subsequently, we consider the specific example of an atomic Fermi gas from a nuclear physics perspective, comparing degrees of freedom......, with advances in the trapping of few-body atomic systems we expect a more direct exchange of ideas and results....

  6. Reactivity of amino acid anions with nitrogen and oxygen atoms. (United States)

    Wang, Zhe-Chen; Li, Ya-Ke; He, Sheng-Gui; Bierbaum, Veronica M


    For many decades, astronomers have searched for biological molecules, including amino acids, in the interstellar medium; this endeavor is important for investigating the hypothesis of the origin of life from space. The space environment is complex and atomic species, such as nitrogen and oxygen atoms, are widely distributed. In this work, the reactions of eight typical deprotonated amino acids (glycine, alanine, cysteine, proline, aspartic acid, histidine, tyrosine, and tryptophan) with ground state nitrogen and oxygen atoms are studied by experiment and theory. These amino acid anions do not react with nitrogen atoms. However, the reactions of these ions with oxygen atoms show an intriguing variety of ionic products and the reaction rate constants are of the order of 10 -10 cm 3 s -1 . Density functional calculations provide detailed mechanisms of the reactions, and demonstrate that spin conversion is essential for some processes. Our study provides important data and insights for understanding the kinetic and dynamic behavior of amino acids in space environments.

  7. Atomic interferometry; Interferometrie atomique

    Energy Technology Data Exchange (ETDEWEB)

    Baudon, J.; Robert, J. [Paris-13 Univ., 93 - Saint-Denis (France)


    Since the theoretical works of L. De Broglie (1924) and the famous experiment of Davisson and Germer (1927), we know that a wave is linked with any particle of mass m by the relation {lambda} = h/(mv), where {lambda} is the wavelength, v the particle velocity and h is the Planck constant. The basic principle of the interferometry of any material particle, atom, molecule or aggregate is simple: using a simple incident wave, several mutually consistent waves (with well-defined relative phases) are generated and controllable phase-shifts are introduced between them in order to generate a wave which is the sum of the previous waves. An interference figure is obtained which consists in a succession of dark and bright fringes. The atomic interferometry is based on the same principle but involves different techniques, different wave equations, but also different beams, sources and correlations which are described in this book. Because of the small possible wavelengths and the wide range of possible atomic interactions, atomic interferometers can be used in many domains from the sub-micron lithography to the construction of sensors like: inertial sensors, gravity-meters, accelerometers, gyro-meters etc. The first chapter is a preliminary study of the space and time diffraction of atoms. The next chapters is devoted to the description of slit, light separation and polarization interferometers, and the last chapter treats of the properties of Bose-Einstein condensates which are interesting in atomic interferometry. (J.S.)

  8. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

    Ichimaru, M.; Tomonaga, M.; Amenomori, T.; Matsuo, T. (Nagasaki Univ. (Japan). School of Medicine)


    Characteristic features of the leukemia among atomic bomb survivors were studied. Dose estimates of atomic bomb radiation were based on T65D, but the new dosimetry system DS86 was used for some analyses. The ratio of a single leukemia type to all leukemias was highest for chronic myelogenous leukemia (CML) in Hiroshima, and the occurrence of CML was thought to be most characteristic to atomic bomb radiation induced leukemia. The threshold of CML occurrence in Hiroshima is likely to be between 0.5{approx}0.09 Gy. However, the threshold of acute leukemia appears to be nearly 1 Gy. In the distribution of acute myeloid leukemia (AML) subtypes by French-American-British classification, there was no M3 case in 1 Gy or more group, although several atypical AML cases of survivors were observed. Although aplastic anemia has not increased as a late effect of the atomic bomb radiation exposure, many atypical leukemia or other myeloproliferative diseases who had been diagnosed as aplastic anemia or its related diseases have been experienced among atomic bomb survivors. Chromosome study was conducted using colony forming cells induced by hemopoietic stem cells of peripheral blood of proximal survivors. Same chromosome aberrations were observed in colony forming cells and peripheral T-cells in several atomic bomb survivors. (author).

  9. Response to the comment by C. Kisielowski, H.A. Calderon, F.R. Chen, S. Helveg, J.R. Jinschek, P. Specht, D. Van Dyck on the article "On the influence of the electron dose-rate on the HRTEM image contrast" by J. Barthel, M. Lentzen, A. Thust, Ultramicroscopy 176 (2017) 37-45. (United States)

    Barthel, Juri; Lentzen, Markus; Thust, Andreas


    In a recent article [1] we examined the influence of the applied electron dose rate on the magnitude of the image contrast in high-resolution transmission electron microscopy (HRTEM). We concluded that the magnitude of the image contrast is not substantially affected by the applied electron dose rate. This result is in obvious contradiction to numerous earlier publications by Kisielowski and coworkers [2-7], who commented our recent article due to this contradiction. The present short communication is a response to the comment of Kisielowski and coworkers on our recent article, where we provide additional arguments supporting our initial findings and conclusions on the magnitude of the image contrast in HRTEM. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Chemical reactivity of the compressed noble gas atoms and their ...

    Indian Academy of Sciences (India)

    Attempts are made to gain insights into the effect of confinement of noble gas atoms on their various reactivity indices. Systems become harder, less polarizable and difficult to excite as the compression increases. Ionization also causes similar effects. A quantum fluid density functional technique is adopted in order to study ...

  11. Universal bosonic tetramers of dimer-atom-atom structure


    Deltuva, A.


    Unstable four-boson states having an approximate dimer-atom-atom structure are studied using momentum-space integral equations for the four-particle transition operators. For a given Efimov trimer the universal properties of the lowest associated tetramer are determined. The impact of this tetramer on the atom-trimer and dimer-dimer collisions is analyzed. The reliability of the three-body dimer-atom-atom model is studied.

  12. Lithiation-induced shuffling of atomic stacks

    KAUST Repository

    Nie, Anmin


    In rechargeable lithium-ion batteries, understanding the atomic-scale mechanism of Li-induced structural evolution occurring at the host electrode materials provides essential knowledge for design of new high performance electrodes. Here, we report a new crystalline-crystalline phase transition mechanism in single-crystal Zn-Sb intermetallic nanowires upon lithiation. Using in situ transmission electron microscopy, we observed that stacks of atomic planes in an intermediate hexagonal (h-)LiZnSb phase are "shuffled" to accommodate the geometrical confinement stress arising from lamellar nanodomains intercalated by lithium ions. Such atomic rearrangement arises from the anisotropic lithium diffusion and is accompanied by appearance of partial dislocations. This transient structure mediates further phase transition from h-LiZnSb to cubic (c-)Li2ZnSb, which is associated with a nearly "zero-strain" coherent interface viewed along the [001]h/[111]c directions. This study provides new mechanistic insights into complex electrochemically driven crystalline-crystalline phase transitions in lithium-ion battery electrodes and represents a noble example of atomic-level structural and interfacial rearrangements.

  13. Atomic level characterization in corrosion studies (United States)

    Marcus, Philippe; Maurice, Vincent


    Atomic level characterization brings fundamental insight into the mechanisms of self-protection against corrosion of metals and alloys by oxide passive films and into how localized corrosion is initiated on passivated metal surfaces. This is illustrated in this overview with selected data obtained at the subnanometre, i.e. atomic or molecular, scale and also at the nanometre scale on single-crystal copper, nickel, chromium and stainless steel surfaces passivated in well-controlled conditions and analysed in situ and/or ex situ by scanning tunnelling microscopy/spectroscopy and atomic force microscopy. A selected example of corrosion modelling by ab initio density functional theory is also presented. The discussed aspects include the surface reconstruction induced by hydroxide adsorption and formation of two-dimensional (hydr)oxide precursors, the atomic structure, orientation and surface hydroxylation of three-dimensional ultrathin oxide passive films, the effect of grain boundaries in polycrystalline passive films acting as preferential sites of passivity breakdown, the differences in local electronic properties measured at grain boundaries of passive films and the role of step edges at the exposed surface of oxide grains on the dissolution of the passive film. This article is part of the themed issue 'The challenges of hydrogen and metals'.

  14. Atomic-scale microstructural characterization and dielectric properties of crystalline cubic pyrochlore Bi1.5MgNb1.5O7 nanoparticles synthesized by sol-gel method

    KAUST Repository

    Zhang, Yuan


    Here, we report the atomic-scale microstructural characterization and dielectric properties of crystalline cubic pyrochlore Bi1.5MgNb 1.5O7 (BMN) nanoparticles with mean size of 70 nm, which were synthesized by sol-gel method. The crystallinity, phase formation, morphology, and surface microstructure of the BMN nanoparticles were characterized by X-ray diffraction (XRD), Raman spectra, transmission electron microscopy (TEM), and high-resolution transmission electron microscopy (HRTEM), respectively. The phase evolution of the BMN nanoparticles investigated by XRD patterns showed that uniform cubic pyrochlore BMN nanoparticles were obtained after calcination at temperature of 800 C, and their structural information was revealed by Raman spectrum. TEM images demonstrated that the BMN nanoparticles had a spherical morphology with an average particle size of 70 nm, and their crystalline nature was revealed by HRTEM images. In addition, HRTEM images also demonstrate a terrace-ledge-kink (TLK) surface structure at the edges of rough BMN nanoparticles, where the terrace was on the (100) plane, and the ledge on the (001) plane. The formation of such a TLK surface structure can be well explained by a theory of periodic bond chains. Due to the surface structural reconstruction in the BMN nanoparticles, the formation of a tetragonal structure in a rough BMN nanoparticle was also revealed by HRTEM image. The BMN nanoparticles exhibited dielectric constants of 50 at 100 kHz and 30 at 1 MHz, and the dielectric loss of 0.19 at 1 MHz. © 2013 Springer Science+Business Media Dordrecht.

  15. Atomic structure and surface defects at mineral-water interfaces probed by in situ atomic force microscopy

    NARCIS (Netherlands)

    Sîretanu, Igor; van den Ende, Henricus T.M.; Mugele, Friedrich Gunther


    Atomic scale details of surface structure play a crucial role for solid–liquid interfaces. While macroscopic characterization techniques provide averaged information about bulk and interfaces, high resolution real space imaging reveals unique insights into the role of defects that are believed to

  16. Sampling the Hydrogen Atom

    Directory of Open Access Journals (Sweden)

    Graves N.


    Full Text Available A model is proposed for the hydrogen atom in which the electron is an objectively real particle orbiting at very near to light speed. The model is based on the postulate that certain velocity terms associated with orbiting bodies can be considered as being af- fected by relativity. This leads to a model for the atom in which the stable electron orbits are associated with orbital velocities where Gamma is n /α , leading to the idea that it is Gamma that is quantized and not angular momentum as in the Bohr and other models. The model provides a mechanism which leads to quantization of energy levels within the atom and also provides a simple mechanical explanation for the Fine Struc- ture Constant. The mechanism is closely associated with the Sampling theorem and the related phenomenon of aliasing developed in the mid-20th century by engineers at Bell labs.

  17. Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges (United States)

    Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.


    Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

  18. Atomic force microscopy in biomaterials surface science. (United States)

    Variola, Fabio


    Recent progress in surface science, nanotechnology and biophysics has cast new light on the correlation between the physicochemical properties of biomaterials and the resulting biological response. One experimental tool that promises to generate an increasingly more sophisticated knowledge of how proteins, cells and bacteria interact with nanostructured surfaces is the atomic force microscope (AFM). This unique instrument permits to close in on interfacial events at the scale at which they occur, the nanoscale. This perspective covers recent developments in the exploitation of the AFM, and suggests insights on future opportunities that can arise from the exploitation of this powerful technique.

  19. Atomic Force Microscope

    Energy Technology Data Exchange (ETDEWEB)

    Day, R.D.; Russell, P.E.


    The Atomic Force Microscope (AFM) is a recently developed instrument that has achieved atomic resolution imaging of both conducting and non- conducting surfaces. Because the AFM is in the early stages of development, and because of the difficulty of building the instrument, it is currently in use in fewer than ten laboratories worldwide. It promises to be a valuable tool for obtaining information about engineering surfaces and aiding the .study of precision fabrication processes. This paper gives an overview of AFM technology and presents plans to build an instrument designed to look at engineering surfaces.

  20. Hirshfeld atom refinement

    Directory of Open Access Journals (Sweden)

    Silvia C. Capelli


    Full Text Available Hirshfeld atom refinement (HAR is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly–l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree–Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs are freely refined without constraints or restraints – even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's, all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules, the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å2 as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements – an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

  1. Optically pumped atoms

    CERN Document Server

    Happer, William; Walker, Thad


    Covering the most important knowledge on optical pumping of atoms, this ready reference is backed by numerous examples of modelling computation for optical pumped systems. The authors show for the first time that modern scientific computing software makes it practical to analyze the full, multilevel system of optically pumped atoms. To make the discussion less abstract, the authors have illustrated key points with sections of MATLAB codes. To make most effective use of contemporary mathematical software, it is especially useful to analyze optical pumping situations in the Liouville spa

  2. Atoms in Agriculture

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, Thomas S. [University of Tennessee


    Agriculture benefits from the applications of research. Radioactive techniques have been used to study soils, plants, microbes, insects, farm animals, and new ways to use and preserve foodstuffs. Radioactive atoms are not used directly by farmers but are used in research directed by the U. S. Department of Agriculture and Atomic Energy Commission, by the agricultural experiment stations of the various states, and by numerous public and private research institutions. From such research come improved materials and methods which are used on the farm.

  3. From Atoms to Solids (United States)


    Honea. M.L. Homer, J.L. Persson, R.L. Whetten , Chem. atoms Phys. Lett. 171 (1990) 147. [17] M.R. Hoare, Adv. Chem. Phys. 40 (1979) 49. Two types of...Persson, M.E. LaVilla, R.L. tal conditions, the clusters become rigid. Thereafter, Whetten , J. Phys. Chem. 93 (1989) 2869. each newly added atom condenses...106 (1981) 265. M. Broyer, Phys. Rev. A 39 (1989) 6056. [9] W. Ekardt, Ber. Bunsenges. Phys. Chem. 88 (1984) 289. [38] R.L. Whetten , private

  4. Korean atomic bomb victims. (United States)

    Sasamoto, Yukuo


    After colonizing Korea, Japan invaded China, and subsequently initiated the Pacific War against the United States, Britain, and their allies. Towards the end of the war, U.S. warplanes dropped atomic bombs on Hiroshima and Nagasaki, which resulted in a large number of Koreans who lived in Hiroshima and Nagasaki suffering from the effects of the bombs. The objective of this paper is to examine the history of Korea atomic bomb victims who were caught in between the U.S., Japan, the Republic of Korea (South Korea) and the Democratic People's Republic of Korea (North Korea).

  5. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

    Ichimaru, Michito; Tomonaga, Masao; Amenomori, Tatsuhiko; Matsuo, Tatsuki (Nagasaki Univ. (Japan). School of Medicine)


    Characteristic features of leukemia among atomic bomb survivors were studied. The ratio of a single leukemia type to all leukemias was highest for CML in Hiroshima, and the occurrence of CML was thought to be most characteristic for atomic bomb radiation induced leukemia. In the distribution of AML subtypes of FAB classification, there was no M3 cases in 1 Gy or more group, although several atypical AML cases of survivors were observed. Chromosome study was conducted using colony forming cells induced by hemopoietic stem cells of peripheral blood of proximal survivors. Same chromosome aberrations were observed in colony forming cells and peripheral blood of proximal survivors. (author).

  6. Atoms in Flight: The Remarkable Connections between Atomic and Hadronic Physics

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, Stanley J.; /SLAC


    Atomic physics and hadron physics are both based on Yang Mills gauge theory; in fact, quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics provide important insight into the theory of hadrons in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of light-front relativistic equations of motion which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The renormalization scale for the running coupling, which is unambiguously set in QED, leads to a method for setting the renormalization scale in QCD. The production of atoms in flight provides a method for computing the formation of hadrons at the amplitude level. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, and light-front quantization have equal utility for atomic physics, especially in the relativistic domain. I also present a new perspective for understanding the contributions to the cosmological constant from QED and QCD.

  7. Atomic Particle Detection

    Energy Technology Data Exchange (ETDEWEB)

    Hellman, Hal


    This booklet tells how scientists observe the particles and electromagnetic radiation that emerges from an atomic nucleus. The equipment used falls into two general categories: counters which count each particle as it passes by, and track detectors, which make a photographic record of the particle's track.

  8. FAC: Flexible Atomic Code (United States)

    Gu, Ming Feng


    FAC calculates various atomic radiative and collisional processes, including radiative transition rates, collisional excitation and ionization by electron impact, energy levels, photoionization, and autoionization, and their inverse processes radiative recombination and dielectronic capture. The package also includes a collisional radiative model to construct synthetic spectra for plasmas under different physical conditions.

  9. Atomic physics and reality

    CERN Multimedia


    An account of the long standing debate between Niels Bohr and Albert Einstein regarding the validity of the quantum mechanical description of atomic phenomena.With physicts, John Wheeler (Texas), John Bell (CERN), David Rohm (London), Abner Shimony (Boston), Alain Aspect (Paris)

  10. Ludwig Boltzmann: Atomic genius

    Energy Technology Data Exchange (ETDEWEB)

    Cercignani, C. [Department of Mathematics, Politecnico di Milano (Italy)]. E-mail:


    On the centenary of the death of Ludwig Boltzmann, Carlo Cercignani examines the immense contributions of the man who pioneered our understanding of the atomic nature of matter. The man who first gave a convincing explanation of the irreversibility of the macroscopic world and the symmetry of the laws of physics was the Austrian physicist Ludwig Boltzmann, who tragically committed suicide 100 years ago this month. One of the key figures in the development of the atomic theory of matter, Boltzmann's fame will be forever linked to two fundamental contributions to science. The first was his interpretation of 'entropy' as a mathematically well-defined measure of the disorder of atoms. The second was his derivation of what is now known as the Boltzmann equation, which describes the statistical properties of a gas as made up of molecules. The equation, which described for the first time how a probability can evolve with time, allowed Boltzmann to explain why macroscopic phenomena are irreversible. The key point is that while microscopic objects like atoms can behave reversibly, we never see broken coffee cups reforming because it would involve a long series of highly improbable interactions - and not because it is forbidden by the laws of physics. (U.K.)

  11. Atomic Force Microscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 15; Issue 7. Atomic Force Microscopy - A Tool to Unveil the Mystery of Biological Systems ... Transcription and Disease Laboratory, Molecular Biology and Genetics Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 ...

  12. Observational Evidence for Atoms. (United States)

    Jones, Edwin R., Jr.; Childers, Richard L.


    Discusses the development of the concept of atomicity and some of the many which can be used to establish its validity. Chemical evidence, evidence from crystals, Faraday's law of electrolysis, and Avogadro's number are among the areas which show how the concept originally developed from a purely philosophical idea. (JN)

  13. On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules. (United States)

    Bhattacharjee, Rituparna; Roy, Ram Kinkar


    In the present study, trends of electronic contribution to molecular electrostatic potential [Vel(r¯)(r=0)], Fukui potential [v(+)f|(r=0) and v(-)f|(r=0)] and hardness potential derivatives [Δ(+)h(k) and Δ(-)h(k)] for isolated atoms as well as atoms in molecules are investigated. The generated numerical values of these three reactivity descriptors in these two electronically different situations are critically analyzed through the relevant formalism. Values of Vel(r¯) (when r → 0, i.e., on the nucleus) are higher for atoms in molecules than that of isolated atoms. In contrast, higher values of v(+)|(r=0) and v(-)|(r=0) are observed for isolated atoms compared to the values for atoms in a molecule. However, no such regular trend is observed for the Δ(+)h(k) and Δ(-)h(k) values, which is attributed to the uncertainty in the Fukui function values of atoms in molecules. The sum of Fukui potential and the sum of hardness potential derivatives in molecules are also critically analyzed, which shows the efficacy of orbital relaxation effects in quantifying the values of these parameters. The chemical consequence of the observed trends of these descriptors in interpreting electron delocalization, electronic relaxation and non-negativity of atomic Fukui function indices is also touched upon. Several commonly used molecules containing carbon as well as heteroatoms are chosen to make the investigation more insightful.

  14. Sleep inspires insight. (United States)

    Wagner, Ullrich; Gais, Steffen; Haider, Hilde; Verleger, Rolf; Born, Jan


    Insight denotes a mental restructuring that leads to a sudden gain of explicit knowledge allowing qualitatively changed behaviour. Anecdotal reports on scientific discovery suggest that pivotal insights can be gained through sleep. Sleep consolidates recent memories and, concomitantly, could allow insight by changing their representational structure. Here we show a facilitating role of sleep in a process of insight. Subjects performed a cognitive task requiring the learning of stimulus-response sequences, in which they improved gradually by increasing response speed across task blocks. However, they could also improve abruptly after gaining insight into a hidden abstract rule underlying all sequences. Initial training establishing a task representation was followed by 8 h of nocturnal sleep, nocturnal wakefulness, or daytime wakefulness. At subsequent retesting, more than twice as many subjects gained insight into the hidden rule after sleep as after wakefulness, regardless of time of day. Sleep did not enhance insight in the absence of initial training. A characteristic antecedent of sleep-related insight was revealed in a slowing of reaction times across sleep. We conclude that sleep, by restructuring new memory representations, facilitates extraction of explicit knowledge and insightful behaviour.

  15. Role of atoms in atomic gravitational-wave detectors (United States)

    Norcia, Matthew A.; Cline, Julia R. K.; Thompson, James K.


    Recently, it has been proposed that space-based atomic sensors may be used to detect gravitational waves. These proposals describe the sensors either as clocks or as atom interferometers. Here, we seek to explore the fundamental similarities and differences between the two types of proposals. We present a framework in which the fundamental mechanism for sensitivity is identical for clock and atom interferometer proposals, with the key difference being whether or not the atoms are tightly confined by an external potential. With this interpretation in mind, we propose two major enhancements to detectors using confined atoms, which allow for an enhanced sensitivity analogous to large momentum transfer used in atom interferometry (though with no transfer of momentum to the atoms), and a way to extend the useful coherence time of the sensor beyond the atom's excited-state lifetime.

  16. Absorption imaging of ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Smith, David A.; Aigner, Simon; Hofferberth, Sebastian


    Imaging ultracold atomic gases close to surfaces is an important tool for the detailed analysis of experiments carried out using atom chips. We describe the critical factors that need be considered, especially when the imaging beam is purposely reflected from the surface. In particular we present...... methods to measure the atom-surface distance, which is a prerequisite for magnetic field imaging and studies of atom surface-interactions....

  17. Atomic Absorption, Atomic Fluorescence, and Flame Emission Spectrometry. (United States)

    Horlick, Gary


    This review is presented in six sections. Sections focus on literature related to: (1) developments in instrumentation, measurement techniques, and procedures; (2) performance studies of flames and electrothermal atomizers; (3) applications of atomic absorption spectrometry; (4) analytical comparisons; (5) atomic fluorescence spectrometry; and (6)…

  18. Cavity enhanced atomic magnetometry. (United States)

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer


    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  19. Cavity enhanced atomic magnetometry

    CERN Document Server

    Crepaz, Herbert; Dumke, Rainer


    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  20. Atomes et rayonnement


    Dalibard, Jean; Haroche, Serge


    Matière et lumière sont intimement liées dans notre modélisation du monde physique. De l’élaboration de la théorie quantique à l’invention du laser, l’interaction entre atomes et rayonnement a joué un rôle central dans le développement de la science et de la technologie d’aujourd’hui. La maîtrise de cette interaction permet désormais d’atteindre les plus basses températures jamais mesurées. Le refroidissement de gaz d’atomes par la lumière d’un laser conduit à une « matière quantique » aux pr...

  1. Atomic emission spectroscopy (United States)

    Andrew, K. H.


    The relationship between the Slater-Condon theory and the conditions within the atom as revealed by experimental data was investigated. The first spectrum of Si, Rb, Cl, Br, I, Ne, Ar, and Xe-136 and the second spectrum of As, Cu, and P were determined. Methods for assessing the phase stability of fringe counting interferometers and the design of an autoranging scanning system for digitizing the output of an infrared spectrometer and recording it on magnetic tape are described.

  2. Navigation with Atom Interferometers (United States)


    stability of the design and will be measured at a future time. Angle random walk can be calculated from first principles from the shot-noise limited...interferometer cannot distinguish between the two sources of phase shifts. We describe a design for a dual atom interferometer to simultaneously...stability. This paper is organized as follows: we first describe the basic building blocks of the interferometer: beam splitters and mirrors. We then

  3. Into the atom and beyond

    CERN Document Server


    Magnifying an atom to football pitch size. The dense nucleus, carrying almost all the atomic mass, is much smaller than the ball. The players (the electrons) would see something about the size of a marble!

  4. Nuclear effects in atomic transitions

    CERN Document Server

    Pálffy, Adriana


    Atomic electrons are sensitive to the properties of the nucleus they are bound to, such as nuclear mass, charge distribution, spin, magnetization distribution, or even excited level scheme. These nuclear parameters are reflected in the atomic transition energies. A very precise determination of atomic spectra may thus reveal information about the nucleus, otherwise hardly accessible via nuclear physics experiments. This work reviews theoretical and experimental aspects of the nuclear effects that can be identified in atomic structure data. An introduction to the theory of isotope shifts and hyperfine splitting of atomic spectra is given, together with an overview of the typical experimental techniques used in high-precision atomic spectroscopy. More exotic effects at the borderline between atomic and nuclear physics, such as parity violation in atomic transitions due to the weak interaction, or nuclear polarization and nuclear excitation by electron capture, are also addressed.

  5. Femtosecond electron diffraction: heralding the era of atomically resolved dynamics (United States)

    Sciaini, Germán; Miller, R. J. Dwayne


    One of the great dream experiments in Science is to directly observe atomic motions as they occur. Femtosecond electron diffraction provided the first 'light' of sufficient intensity to achieve this goal by attaining atomic resolution to structural changes on the relevant timescales. This review covers the technical progress that made this new level of acuity possible and gives a survey of the new insights gained from an atomic level perspective of structural dynamics. Atomic level views of the simplest possible structural transition, melting, are discussed for a number of systems in which both thermal and purely electronically driven atomic displacements can be correlated with the degree of directional bonding. Optical manipulation of charge distributions and effects on interatomic forces/bonding can be directly observed through the ensuing atomic motions. New phenomena involving strongly correlated electron-lattice systems are also discussed in which optically induced changes in the potential energy landscape lead to ballistic structural changes. Concepts such as the structural order parameters are now directly observable at the atomic level of inspection to give a remarkable view of the extraordinary degree of cooperativity involved in strongly correlated electron-lattice systems. These recent examples, in combination with time-resolved real space imaging now possible with electron probes, are truly defining an emerging field that holds great promise to make a significant impact in how we understand structural dynamics. This article is dedicated to the memory of Professor David John Hugh Cockayne, a world leader in electron microscopy, who sadly passed away in December.

  6. Molecular Electronics: Insight from First-Principles Transport Simulations

    DEFF Research Database (Denmark)

    Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads


    Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affe...... the atomic arrangement and transport channels....

  7. Atomic and Molecular Physics Program (United States)


    Atomic Quantum Memories in Nano-Scale Optical Circuits: Jeff Kimble, Oskar Painter (CalTech) • Demonstration of a nanofiber atom trap: A. al, Phys. Rev. Lett. 109, 033603 (2012) • Cavity QED with atomic mirrors: D. Chang, et al, N. J. Phys. 14, 063003 (2012) • Fiber -coupled chip... PMMA -diamond hybrid cavities, coupling stable NV centers • Cavity Optomechanics with Cold Atoms: Dan Stamper-Kurn (UC Berkeley) • Squeezed light

  8. Lasers, Understanding the Atom Series. (United States)

    Hellman, Hal

    This booklet is one of the booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school science teachers and their students. Basic information for understanding the laser is provided including discussion of the electromagnetic spectrum, radio waves, light and the atom, coherent light, controlled…

  9. Breaking the atom with Samson

    NARCIS (Netherlands)

    Väänänen, J.; Coecke, B.; Ong, L.; Panangaden, P.


    The dependence atom =(x,y) was introduced in [11]. Here x and y are finite sets of attributes (or variables) and the intuitive meaning of =(x,y) is that the attributes x completely (functionally) determine the attributes y. One may wonder, whether the dependence atom is truly an atom or whether it

  10. Current Trends in Atomic Spectroscopy. (United States)

    Wynne, James J.


    Atomic spectroscopy is the study of atoms/ions through their interaction with electromagnetic radiation, in particular, interactions in which radiation is absorbed or emitted with an internal rearrangement of the atom's electrons. Discusses nature of this field, its status and future, and how it is applied to other areas of physics. (JN)

  11. Bohmian picture of Rydberg atoms

    Indian Academy of Sciences (India)

    lished the nearly elliptical shapes for the centre-of-mass motion in Rydberg atoms using numerical simulations, we show analytically that the Bohmian trajectories in Rydberg atoms are nearly ellipti- cal. Keywords. Rydberg atom; quantum trajectory. PACS No. 03.65.Ge. 1. Introduction. Ever since the advent of quantum ...

  12. Cold atoms close to surfaces

    DEFF Research Database (Denmark)

    Krüger, Peter; Wildermuth, Stephan; Hofferberth, Sebastian


    Microscopic atom optical devices integrated on atom chips allow to precisely control and manipulate ultra-cold (T atoms and Bose-Einstein condensates (BECs) close to surfaces. The relevant energy scale of a BEC is extremely small (down to ... be utilized as a sensor for variations of the potential energy of the atoms close to the surface. Here we describe how to use trapped atoms as a measurement device and analyze the performance and flexibility of the field sensor. We demonstrate microscopic magnetic imaging with simultaneous high spatial...

  13. Topics in atomic collision theory

    CERN Document Server

    Geltman, Sydney; Brueckner, Keith A


    Topics in Atomic Collision Theory originated in a course of graduate lectures given at the University of Colorado and at University College in London. It is recommended for students in physics and related fields who are interested in the application of quantum scattering theory to low-energy atomic collision phenomena. No attention is given to the electromagnetic, nuclear, or elementary particle domains. The book is organized into three parts: static field scattering, electron-atom collisions, and atom-atom collisions. These are in the order of increasing physical complexity and hence necessar

  14. Cavity QED with atomic mirrors (United States)

    Chang, D. E.; Jiang, L.; Gorshkov, A. V.; Kimble, H. J.


    A promising approach to merge atomic systems with scalable photonics has emerged recently, which consists of trapping cold atoms near tapered nanofibers. Here, we describe a novel technique to achieve strong, coherent coupling between a single atom and photon in such a system. Our approach makes use of collective enhancement effects, which allow a lattice of atoms to form a high-finesse cavity within the fiber. We show that a specially designated ‘impurity’ atom within the cavity can experience strongly enhanced interactions with single photons in the fiber. Under realistic conditions, a ‘strong coupling’ regime can be reached, wherein it becomes feasible to observe vacuum Rabi oscillations between the excited impurity atom and a single cavity quantum. This technique can form the basis for a scalable quantum information network using atom-nanofiber systems.

  15. Chameleon Induced Atomic Afterglow

    CERN Document Server

    Brax, Philippe


    The chameleon is a scalar field whose mass depends on the density of its environment. Chameleons are necessarily coupled to matter particles and will excite transitions between atomic energy levels in an analogous manner to photons. When created inside an optical cavity by passing a laser beam through a constant magnetic field, chameleons are trapped between the cavity walls and form a standing wave. This effect will lead to an afterglow phenomenon even when the laser beam and the magnetic field have been turned off, and could be used to probe the interactions of the chameleon field with matter.

  16. Atomic mechanics of solids

    CERN Document Server

    MacPherson, A K


    This volume brings together some of the presently available theoretical techniques which will be useful in the design of solid-state materials. At present, it is impossible to specify the atomic composition of a material and its macroscopic physical properties. However, the future possibilities for such a science are being laid today. This is coming about due to the development of fast, cheap computers which will be able to undertake the calculations which are necessary.Since this field of science is fairly new, it is not yet quite clear which direction of analysis will eventually prov

  17. Electroless atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Robinson, David Bruce; Cappillino, Patrick J.; Sheridan, Leah B.; Stickney, John L.; Benson, David M.


    A method of electroless atomic layer deposition is described. The method electrolessly generates a layer of sacrificial material on a surface of a first material. The method adds doses of a solution of a second material to the substrate. The method performs a galvanic exchange reaction to oxidize away the layer of the sacrificial material and deposit a layer of the second material on the surface of the first material. The method can be repeated for a plurality of iterations in order to deposit a desired thickness of the second material on the surface of the first material.

  18. Atomic data for fusion

    Energy Technology Data Exchange (ETDEWEB)

    Hunter, H.T.; Kirkpatrick, M.I.; Alvarez, I.; Cisneros, C.; Phaneuf, R.A. (eds.); Barnett, C.F.


    This report provides a handbook of recommended cross-section and rate-coefficient data for inelastic collisions between hydrogen, helium and lithium atoms, molecules and ions, and encompasses more than 400 different reactions of primary interest in fusion research. Published experimental and theoretical data have been collected and evaluated, and the recommended data are presented in tabular, graphical and parametrized form. Processes include excitation and spectral line emission, charge exchange, ionization, stripping, dissociation and particle interchange reactions. The range of collision energies is appropriate to applications in fusion-energy research.

  19. Neuromorphic atomic switch networks.

    Directory of Open Access Journals (Sweden)

    Audrius V Avizienis

    Full Text Available Efforts to emulate the formidable information processing capabilities of the brain through neuromorphic engineering have been bolstered by recent progress in the fabrication of nonlinear, nanoscale circuit elements that exhibit synapse-like operational characteristics. However, conventional fabrication techniques are unable to efficiently generate structures with the highly complex interconnectivity found in biological neuronal networks. Here we demonstrate the physical realization of a self-assembled neuromorphic device which implements basic concepts of systems neuroscience through a hardware-based platform comprised of over a billion interconnected atomic-switch inorganic synapses embedded in a complex network of silver nanowires. Observations of network activation and passive harmonic generation demonstrate a collective response to input stimulus in agreement with recent theoretical predictions. Further, emergent behaviors unique to the complex network of atomic switches and akin to brain function are observed, namely spatially distributed memory, recurrent dynamics and the activation of feedforward subnetworks. These devices display the functional characteristics required for implementing unconventional, biologically and neurally inspired computational methodologies in a synthetic experimental system.

  20. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S


    We analyze the time delay between emission of photoelectrons from the outer valence $ns$ and $np$ sub-shells in noble gas atoms following absorption of an attosecond XUV pulse. By solving the time dependent Schr\\"odinger equation and carefully examining the time evolution of the photoelectron wave packet, we establish the apparent "time zero" when the photoelectron leaves the atom. Various processes such as elastic scattering of the photoelectron on the parent ion and many-electron correlation affect the quantum phase of the dipole transition matrix element, the energy dependence of which defines the emission timing. This qualitatively explains the time delay between photoemission from the $2s$ and $2p$ sub-shells of Ne as determined experimentally by attosecond streaking [{\\em Science} {\\bf 328}, 1658 (2010)]. However, with our extensive numerical modeling, we were only able to account for less than a half of the measured time delay of $21\\pm5$~as. We argue that the XUV pulse alone cannot produce such a larg...

  1. Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

    DEFF Research Database (Denmark)

    van der Heijden, Nadine J.; Smith, Daniel; Calogero, Gaetano


    Doping graphene by heteroatoms such as nitrogen presents an attractive route to control the position of the Fermi level in the material. We prepared N-doped graphene on Cu(111) and Ir(111) surfaces via chemical vapor deposition of two different molecules. Using scanning tunneling microscopy images...... as a benchmark, we show that the position of the dopant atoms can be determined using atomic force microscopy. Specifically, the frequency shift-distance curves Delta f(z) acquired above a N atom are significantly different from the curves measured over a C atom. Similar behavior was found for N-doped graphene...

  2. Can atom-surface potential measurements test atomic structure models? (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D


    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  3. High Rydberg atoms: a nanoscale electron collisions laboratory (United States)

    Dunning, F. Barry


    Atoms in which one electron is excited to a state of large principal quantum number n, termed Rydberg atoms, are physically very large. The average separation between the excited electron and core ion is such that, in collisions with neutral targets, they behave not as an atom but rather as a pair of independent particles. Studies of collision processes that are dominated by the electron/target interaction can provide information on electron/molecule scattering at energies that extend down to a few microelectronvolts. Collisions with attaching targets can lead to ion formation through electron capture in a binary interaction between the excited electron and target molecule. Capture leads to creation of transient, excited parent negative ions that may subsequently dissociate, undergo autodetachment, or be "stabilized" by intramolecular vibrational relaxation. New insights into each of these processes, and into the lifetime of the intermediate (on a ps timescale), can be obtained by measuring the angular and velocity distributions of the positive and/or negative ions produced in Rydberg atom collisions. Collisions with Rydberg atoms also provide a novel source of dipole-bound negative ions, and have demonstrated the importance of dipole-supported real and virtual states in superelastic electron scattering from polar targets. These applications of Rydberg atoms will be discussed together with some recent results. Research supported by the National Science Foundation and the Robert A. Welch Foundation.


    Energy Technology Data Exchange (ETDEWEB)

    LIU,X.; SUITS,A.G.


    The hydrogen atom abstraction reaction is an important fundamental process that is extensively involved in atmospheric and combustion chemistry. The practical significance of this type of reaction with polyatomic hydrocarbons is manifest, which has led to many kinetics studies. The detailed understanding of these reactions requires corresponding dynamics studies. However, in comparison to the A + HX {radical} AH + X reactions, the study of the dynamics of A + HR {yields} AH + R reactions is much more difficult, both experimentally and theoretically (here and in the following, A stands for an atom, X stands for a halogen atom, and R stands for a polyatomic hydrocarbon radical). The complication stems from the structured R, in contrast to the structureless X. First of all, there are many internal degrees of freedom in R that can participate in the reaction. In addition, there are different carbon sites from which an H atom can be abstracted, and the dynamics are correspondingly different; there are also multiple identical carbon sites in HR and in the picture of a local reaction, there exist competitions between neighboring H atoms, and so on. Despite this complexity, there have been continuing efforts to obtain insight into the dynamics of these reactions. In this chapter, some examples are presented, including the reactions of ground state H, Cl, and O atoms, with particular focus on our recent work using imaging to obtain the differential cross sections for these reactions.

  5. Optical angular momentum and atoms. (United States)

    Franke-Arnold, Sonja


    Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom's angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light's OAM, aiding our fundamental understanding of light-matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors.This article is part of the themed issue 'Optical orbital angular momentum'. © 2017 The Author(s).

  6. Optical nanofibres and neutral atoms

    CERN Document Server

    Nieddu, Thomas; Chormaic, Sile Nic


    Optical nanofibres are increasingly being used in cold atom experiments due to their versatility and the clear advantages they have when developing all-fibred systems for quantum technologies. They provide researchers with a method of overcoming the Rayleigh range for achieving high intensities in a focussed beam over a relatively long distance, and can act as a noninvasive tool for probing cold atoms. In this review article, we will briefly introduce the theory of mode propagation in an ultrathin optical fibre and highlight some of the more significant theoretical and experimental progresses to date, including the early work on atom probing, manipulation and trapping, the study of atom-dielectric surface interactions, and the more recent observation of nanofibre-mediated nonlinear optics phenomena in atomic media. The functionality of optical nanofibres in relation to the realisation of atom-photon hybrid quantum systems is also becoming more evident as some of the earlier technical challenges are surpassed ...

  7. Atomic resolution imaging of YAlO{sub 3}: Ce in the chromatic and spherical aberration corrected PICO electron microscope

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Lei [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Jülich-Aachen Research Alliance (JARA), Forschungszentrum Jülich GmbH, 52425 Jülich (Germany); Barthel, Juri [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Jülich-Aachen Research Alliance (JARA), Forschungszentrum Jülich GmbH, 52425 Jülich (Germany); Central Facility for Electron Microscopy, RWTH Aachen University, 52074 Aachen (Germany); Jia, Chun-Lin [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Jülich-Aachen Research Alliance (JARA), Forschungszentrum Jülich GmbH, 52425 Jülich (Germany); School of Electronic and Information Engineering and State Key Laboratory for Mechanical Behaviour of Materials, Xi' an Jiaotong University, Xi' an 710049 (China); Urban, Knut W., E-mail: [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Jülich-Aachen Research Alliance (JARA), Forschungszentrum Jülich GmbH, 52425 Jülich, (Germany); School of Electronic and Information Engineering and State Key Laboratory for Mechanical Behaviour of Materials, Xi' an Jiaotong University, Xi' an 710049 (China)


    Highlights: • First time resolution of 57 pm atom separations by HRTEM with 200 keV electrons. • Quantification of the image spread by absolute matching of experiment and simulation. • An information limit of 52 pm is deduced from the determined image spread. • Substantial deviations from the bulk structure are observed for the ultra-thin sample. - Abstract: The application of combined chromatic and spherical aberration correction in high-resolution transmission electron microscopy enables a significant improvement of the spatial resolution down to 50 pm. We demonstrate that such a resolution can be achieved in practice at 200 kV. Diffractograms of images of gold nanoparticles on amorphous carbon demonstrate corresponding information transfer. The Y atom pairs in [010] oriented yttrium orthoaluminate are successfully imaged together with the Al and the O atoms. Although the 57 pm pair separation is well demonstrated separations between 55 pm and 80 pm are measured. This observation is tentatively attributed to structural relaxations and surface reconstruction in the very thin samples used. Quantification of the resolution limiting effective image spread is achieved based on an absolute match between experimental and simulated image intensity distributions.

  8. Atomic iodine laser

    Energy Technology Data Exchange (ETDEWEB)

    Fisk, G.A.; Gusinow, M.A.; Hays, A.K.; Padrick, T.D.; Palmer, R.E.; Rice, J.K.; Truby, F.K.; Riley, M.E.


    The atomic iodine photodissociation laser has been under intensive study for a number of years. The physics associated with this system is now well understood and it is possible to produce a 0.1 nsec (or longer) near-diffraction-limited laser pulse which can be amplified with negligible temporal distortion and little spatial deformation. The output of either a saturated or unsaturated amplifier consists of a high-fidelity near-diffraction-limited, energetic laser pulse. The report is divided into three chapters. Chapter 1 is a survey of the important areas affecting efficient laser operation and summarizes the findings of Chap. 2. Chapter 2 presents detailed discussions and evaluations pertinent to pumps, chemical regeneration, and other elements in the overall laser system. Chapter 3 briefly discusses those areas that require further work and the nature of the work required to complete the full-scale evaluation of the applicability of the iodine photodissociation laser to the inertial confinement program.

  9. Quantum simulations with ultracold atoms in optical lattices. (United States)

    Gross, Christian; Bloch, Immanuel


    Quantum simulation, a subdiscipline of quantum computation, can provide valuable insight into difficult quantum problems in physics or chemistry. Ultracold atoms in optical lattices represent an ideal platform for simulations of quantum many-body problems. Within this setting, quantum gas microscopes enable single atom observation and manipulation in large samples. Ultracold atom-based quantum simulators have already been used to probe quantum magnetism, to realize and detect topological quantum matter, and to study quantum systems with controlled long-range interactions. Experiments on many-body systems out of equilibrium have also provided results in regimes unavailable to the most advanced supercomputers. We review recent experimental progress in this field and comment on future directions. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

  10. Quantum information with Rydberg atoms

    DEFF Research Database (Denmark)

    Saffman, Mark; Walker, T.G.; Mølmer, Klaus


    Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....

  11. HPAM: Hirshfeld partitioned atomic multipoles (United States)

    Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.


    An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL: Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio

  12. Microbial cells analysis by atomic force microscopy. (United States)

    Alsteens, David


    Unraveling the structure of microbial cells is a major challenge in current microbiology and offers exciting prospects in biomedicine. Atomic force microscopy (AFM) appears as a powerful method to image the surface ultrastructure of live cells under physiological conditions and allows real-time imaging to follow dynamic processes such as cell growth, and division and effects of drugs and chemicals. The following chapter introduces different methods of sample preparation to gain insights into the microbial cell organization. Successful strategies to immobilize microorganisms, including physical entrapment and chemical attachment, are described. This step is a key step and a prerequisite of any analysis and persists as an important limitation to the application of AFM to microbiology due to the wide diversity of microorganisms. Finally, some applications are depicted which underlie the ability of AFM to explore living microbes with unprecedented resolution. Copyright © 2012 Elsevier Inc. All rights reserved.

  13. The Common Elements of Atomic and Hadronic Physics

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, Stanley J. [SLAC National Accelerator Lab., Menlo Park, CA (United States)


    Atomic physics and hadronic physics are both governed by the Yang Mills gauge theory Lagrangian; in fact, Abelian quantum electrodynamics can be regarded as the zero-color limit of quantum chromodynamics. I review a number of areas where the techniques of atomic physics can provide important insight into hadronic eigenstates in QCD. For example, the Dirac-Coulomb equation, which predicts the spectroscopy and structure of hydrogenic atoms, has an analog in hadron physics in the form of frame-independent light-front relativistic equations of motion consistent with light-front holography which give a remarkable first approximation to the spectroscopy, dynamics, and structure of light hadrons. The production of antihydrogen in flight can provide important insight into the dynamics of hadron production in QCD at the amplitude level. The renormalization scale for the running coupling is unambiguously set in QED; an analogous procedure sets the renormalization scales in QCD, leading to scheme-independent scale-fixed predictions. Conversely, many techniques which have been developed for hadron physics, such as scaling laws, evolution equations, the quark-interchange process and light-front quantization have important applicants for atomic physics and photon science, especially in the relativistic domain.

  14. Linear Atom Guides: Guiding Rydberg Atoms and Progress Toward an Atom Laser (United States)

    Traxler, Mallory A.

    In this thesis, I explore a variety of experiments within linear, two-wire, magnetic atom guides. Experiments include guiding of Rydberg atoms; transferring between states while keeping the atoms contained within the guide; and designing, constructing, and testing a new experimental apparatus. The ultimate goal of the atom guiding experiments is to develop a continuous atom laser. The guiding of 87Rb 59D5/2 Rydberg atoms is demonstrated. The evolution of the atoms is driven by the combined effects of dipole forces acting on the center-of-mass degree of freedom as well as internal-state transitions. Time delayed microwave and state-selective field ionization, along with ion detection, are used to investigate the evolution of the internal-state distribution as well as the Rydberg atom motion while traversing the guide. The observed decay time of the guided-atom signal is about five times that of the initial state. A population transfer between Rydberg states contributes to this lengthened lifetime, and also broadens the observed field ionization spectrum. The population transfer is attributed to thermal transitions and, to a lesser extent, initial state-mixing due to Rydberg-Rydberg collisions. Characteristic signatures in ion time-of-flight signals and spatially resolved images of ion distributions, which result from the coupled internal-state and center-of-mass dynamics, are discussed. Some groups have used a scheme to make BECs where atoms are optically pumped from one reservoir trap to a final state trap, irreversibly transferring those atoms from one trap to the other. In this context, transfer from one guided ground state to another is studied. In our setup, before the atoms enter the guide, they are pumped into the | F = 1, mF = --1> state. Using two repumpers, one tuned to the F = 1 → F' = 0 transition (R10) and the other tuned to the F = 1 → F' = 2 transition (R12), the atoms are pumped between these guided states. Magnetic reflections within the guide

  15. Introduction to light forces, atom cooling, and atom trapping


    Savage, Craig


    This paper introduces and reviews light forces, atom cooling and atom trapping. The emphasis is on the physics of the basic processes. In discussing conservative forces the semi-classical dressed states are used rather than the usual quantized field dressed states.

  16. Atomic Force Microscopy and Real Atomic Resolution. Simple Computer Simulations

    NARCIS (Netherlands)

    Koutsos, V.; Manias, E.; Brinke, G. ten; Hadziioannou, G.


    Using a simple computer simulation for AFM imaging in the contact mode, pictures with true and false atomic resolution are demonstrated. The surface probed consists of two f.c.c. (111) planes and an atomic vacancy is introduced in the upper layer. Changing the size of the effective tip and its

  17. Intermolecular atom-atom bonds in crystals - a chemical perspective. (United States)

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R


    Short atom-atom distances between molecules are almost always indicative of specific intermolecular bonding. These distances may be used to assess the significance of all hydrogen bonds, including the C-H⋯O and even weaker C-H⋯F varieties.

  18. Atom-surface studies with Rb Rydberg atoms (United States)

    Chao, Yuanxi; Sheng, Jiteng; Sedlacek, Jonathon; Shaffer, James


    We report on experimental and theoretical progress studying atom-surface interactions using rubidium Rydberg atoms. Rydberg atoms can be strongly coupled to surface phonon polariton (SPhP) modes of a dielectric material. The coherent interaction between Rydberg atoms and SPhPs has potential applications for quantum hybrid devices. Calculations of TM-mode SPhPs on engineered surfaces of periodically poled lithium niobate (PPLN) and lithium tantalate (PPLT) for different periodic domains and surface orientations, as well as natural materials such as quartz, are presented. Our SPhP calculations account for the semi-infinite anisotropic nature of the materials. In addition to theoretical calculations, we show experimental results of measurements of adsorbate fields and coupling of Rydberg atoms to SPhPs on quartz.

  19. Coherent Atom Optics with fast metastable rare gas atoms (United States)

    Grucker, J.; Baudon, J.; Karam, J.-C.; Perales, F.; Bocvarski, V.; Vassilev, G.; Ducloy, M.


    Coherent atom optics experiments making use of an ultra-narrow beam of fast metastable atoms generated by metastability exchange are reported. The transverse coherence of the beam (coherence radius of 1.7 μm for He*, 1.2 μm for Ne*, 0.87 μm for Ar*) is demonstrated via the atomic diffraction by a non-magnetic 2μm-period reflection grating. The combination of the non-scalar van der Waals (vdW) interaction with the Zeeman interaction generated by a static magnetic field gives rise to "vdW-Zeeman" transitions among Zeeman sub-levels. Exo-energetic transitions of this type are observed with Ne*(3P2) atoms traversing a copper micro-slit grating. They can be used as a tunable beam splitter in an inelastic Fresnel bi-prism atom interferometer.

  20. Inside PixInsight

    CERN Document Server

    Keller, Warren A


    In this book, Warren Keller reveals the secrets of astro-image processing software PixInsight in a practical and easy to follow manner, allowing the reader to produce stunning astrophotographs from even mediocre data. As the first comprehensive post-processing platform to be created by astro-imagers for astro-imagers, it has for many, replaced the generic graphics editors as the software of choice. With clear instructions from Keller, astrophotographers can get the most from its tools to create amazing images. Capable of complex post-processing routines, PixInsight is also an advanced pre-processing software, through which astrophotographers calibrate and stack their exposures into completed master files.This is the most comprehensive resource on PixInsight to date. With screenshots to help illustrate the process, it is a vital guide.

  1. Dreaming and insight

    Directory of Open Access Journals (Sweden)

    Christopher L Edwards


    Full Text Available This paper addresses claims that dreams can be a source of personal insight. Whereas there has been anecdotal backing for such claims, there is now tangential support from findings of the facilitative effect of sleep on cognitive insight, and of REM sleep in particular on emotional memory consolidation. Furthermore, the presence in dreams of metaphorical representations of waking life indicates the possibility of novel insight as an emergent feature of such metaphorical mappings. In order to assess whether personal insight can occur as a result of the consideration of dream content, 11 dream group discussion sessions were conducted which followed the Ullman Dream Appreciation technique, one session for each of 11 participants (10 females, 1 male; mean age = 19.2 years. Self-ratings of deepened self-perception and personal gains from participation in the group sessions showed that the Ullman technique is an effective procedure for establishing connections between dream content and recent waking life experiences, although wake life sources were found for only 14% of dream report text. The mean Exploration-Insight score on the Gains from Dream Interpretation questionnaire was very high and comparable to outcomes from the well-established Hill (1996 therapist-led dream interpretation method. This score was associated between-subjects with pre-group positive Attitude Toward Dreams. The need to distinguish ‘aha’ experiences as a result of discovering a waking life source for part of a dream, from ‘aha’ experiences of personal insight as a result of considering dream content, is discussed. Difficulties are described in designing a control condition to which the dream report condition can be compared.

  2. Dreaming and insight (United States)

    Edwards, Christopher L.; Ruby, Perrine M.; Malinowski, Josie E.; Bennett, Paul D.; Blagrove, Mark T.


    This paper addresses claims that dreams can be a source of personal insight. Whereas there has been anecdotal backing for such claims, there is now tangential support from findings of the facilitative effect of sleep on cognitive insight, and of REM sleep in particular on emotional memory consolidation. Furthermore, the presence in dreams of metaphorical representations of waking life indicates the possibility of novel insight as an emergent feature of such metaphorical mappings. In order to assess whether personal insight can occur as a result of the consideration of dream content, 11 dream group discussion sessions were conducted which followed the Ullman Dream Appreciation technique, one session for each of 11 participants (10 females, 1 male; mean age = 19.2 years). Self-ratings of deepened self-perception and personal gains from participation in the group sessions showed that the Ullman technique is an effective procedure for establishing connections between dream content and recent waking life experiences, although wake life sources were found for only 14% of dream report text. The mean Exploration-Insight score on the Gains from Dream Interpretation questionnaire was very high and comparable to outcomes from the well-established Hill (1996) therapist-led dream interpretation method. This score was associated between-subjects with pre-group positive Attitude Toward Dreams (ATD). The need to distinguish “aha” experiences as a result of discovering a waking life source for part of a dream, from “aha” experiences of personal insight as a result of considering dream content, is discussed. Difficulties are described in designing a control condition to which the dream report condition can be compared. PMID:24550849

  3. OpenGL Insights

    CERN Document Server

    Cozzi, Patrick


    Get Real-World Insight from Experienced Professionals in the OpenGL Community With OpenGL, OpenGL ES, and WebGL, real-time rendering is becoming available everywhere, from AAA games to mobile phones to web pages. Assembling contributions from experienced developers, vendors, researchers, and educators, OpenGL Insights presents real-world techniques for intermediate and advanced OpenGL, OpenGL ES, and WebGL developers. Go Beyond the Basics The book thoroughly covers a range of topics, including OpenGL 4.2 and recent extensions. It explains how to optimize for mobile devices, explores the design

  4. Traps for neutral radioactive atoms

    CERN Document Server

    Sprouse, G D; Grossman, J S; Orozco, L A; Pearson, M R


    We describe several methods for efficiently injecting a small number of radioactive atoms into a laser trap. The characteristics of laser traps that make them desirable for physics experiments are discussed and several different experimental directions are described. We describe recent experiments with the alkali element Fr and point to future directions of the neutral atom trapping program.

  5. The Stair-Step Atom. (United States)

    Jordan, Thomas M.; And Others


    Presents a model of a generic atom that is used to represent the movement of electrons from lower to higher levels and vice-versa due to excitation and de-excitation of the atom. As the process of de-excitation takes place, photons represented by colored ping-pong balls are emitted, indicating the emission of light. (MDH)

  6. Atomic collisions involving pulsed positrons

    DEFF Research Database (Denmark)

    Merrison, J. P.; Bluhme, H.; Field, D.


    instantaneous intensities be achieved with in-beam accumulation, but more importantly many orders of magnitude improvement in energy and spatial resolution can be achieved using positron cooling. Atomic collisions can be studied on a new energy scale with unprecedented precion and control. The use...... of accelerators for producing intense positron pulses will be discussed in the context of atomic physics experiments....

  7. Bohmian picture of Rydberg atoms

    Indian Academy of Sciences (India)

    Abstract. Unlike the previous theoretical results based on standard quantum mechanics that established the nearly elliptical shapes for the centre-of-mass motion in Rydberg atoms using numerical simulations, we show analytically that the Bohmian trajectories in Rydberg atoms are nearly elliptical.

  8. Atoms in astrophysics

    CERN Document Server

    Eissner, W; Hummer, D; Percival, I


    It is hard to appreciate but nevertheless true that Michael John Seaton, known internationally for the enthusiasm and skill with which he pursues his research in atomic physics and astrophysics, will be sixty years old on the 16th of January 1983. To mark this occasion some of his colleagues and former students have prepared this volume. It contains articles that de­ scribe some of the topics that have attracted his attention since he first started his research work at University College London so many years ago. Seaton's association with University College London has now stretched over a period of some 37 years, first as an undergraduate student, then as a research student, and then, successively, as Assistant Lecturer, Lecturer, Reader, and Professor. Seaton arrived at University College London in 1946 to become an undergraduate in the Physics Department, having just left the Royal Air Force in which he had served as a navigator in the Pathfinder Force of Bomber Command. There are a number of stories of ho...

  9. Deep atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Barnard, H.; Drake, B.; Randall, C.; Hansma, P. K. [Department of Physics, University of California, Santa Barbara, California 93106 (United States)


    The Atomic Force Microscope (AFM) possesses several desirable imaging features including the ability to produce height profiles as well as two-dimensional images, in fluid or air, at high resolution. AFM has been used to study a vast selection of samples on the scale of angstroms to micrometers. However, current AFMs cannot access samples with vertical topography of the order of 100 μm or greater. Research efforts have produced AFM scanners capable of vertical motion greater than 100 μm, but commercially available probe tip lengths are still typically less than 10 μm high. Even the longest probe tips are below 100 μm and even at this range are problematic. In this paper, we present a method to hand-fabricate “Deep AFM” probes with tips of the order of 100 μm and longer so that AFM can be used to image samples with large scale vertical topography, such as fractured bone samples.

  10. Atom mapping with constraint programming. (United States)

    Mann, Martin; Nahar, Feras; Schnorr, Norah; Backofen, Rolf; Stadler, Peter F; Flamm, Christoph


    Chemical reactions are rearrangements of chemical bonds. Each atom in an educt molecule thus appears again in a specific position of one of the reaction products. This bijection between educt and product atoms is not reported by chemical reaction databases, however, so that the "Atom Mapping Problem" of finding this bijection is left as an important computational task for many practical applications in computational chemistry and systems biology. Elementary chemical reactions feature a cyclic imaginary transition state (ITS) that imposes additional restrictions on the bijection between educt and product atoms that are not taken into account by previous approaches. We demonstrate that Constraint Programming is well-suited to solving the Atom Mapping Problem in this setting. The performance of our approach is evaluated for a manually curated subset of chemical reactions from the KEGG database featuring various ITS cycle layouts and reaction mechanisms.

  11. Exotic objects of atomic physics (United States)

    Eletskii, A. V.


    There has been presented a short survey of physical properties, methods of production and exploration as well as directions of practical usage of the objects of atomic physics which are not yet described in detail in modern textbooks and manuals intended for students of technical universities. The family of these objects includes negative and multicharged ions, Rydberg atoms, excimer molecules, clusters. Besides of that, in recent decades this family was supplemented with new nanocarbon structures such as fullerenes, carbon nanotubes and graphene. The textbook “Exotic objects of atomic physics” [1] edited recently contains some information on the above-listed objects of the atomic physics. This textbook can be considered as a supplement to classic courses of atomic physics teaching in technical universities.

  12. Atomic spectroscopy and radiative processes

    CERN Document Server

    Landi Degl'Innocenti, Egidio


    This book describes the basic physical principles of atomic spectroscopy and the absorption and emission of radiation in astrophysical and laboratory plasmas. It summarizes the basics of electromagnetism and thermodynamics and then describes in detail the theory of atomic spectra for complex atoms, with emphasis on astrophysical applications. Both equilibrium and non-equilibrium phenomena in plasmas are considered. The interaction between radiation and matter is described, together with various types of radiation (e.g., cyclotron, synchrotron, bremsstrahlung, Compton). The basic theory of polarization is explained, as is the theory of radiative transfer for astrophysical applications. Atomic Spectroscopy and Radiative Processes bridges the gap between basic books on atomic spectroscopy and the very specialized publications for the advanced researcher: it will provide under- and postgraduates with a clear in-depth description of theoretical aspects, supported by practical examples of applications.

  13. Atomic form factor for twisted vortex photons interacting with atoms (United States)

    Guthrey, Pierson; Kaplan, Lev; McGuire, J. H.


    The relatively new atomic form factor for twisted (vortex) beams, which carry orbital angular momentum (OAM), is considered and compared to the conventional atomic form factor for plane-wave beams that carry only spin angular momentum. Since the vortex symmetry of a twisted photon is more complex that that of a plane wave, evaluation of the atomic form factor is also more complex for twisted photons. On the other hand, the twisted photon has additional parameters, including the OAM quantum number, ℓ, the nodal radial number, p, and the Rayleigh range, zR, which determine the cone angle of the vortex. This Rayleigh range may be used as a variable parameter to control the interaction of twisted photons with matter. Here we address (i) normalization of the vortex atomic form factor, (ii) displacement of target atoms away from the center of the beam vortex, and (iii) formulation of transition probabilities for a variety of photon-atom processes. We attend to features related to experiments that can test the range of validity and accuracy of calculations of these variations of the atomic form factor. Using the absolute square of the form factor for vortex beams, we introduce a vortex factor that can be directly measured.

  14. Atomic Configuration and Conductance of Tantalum Single-Atom Contacts and Single-Atom Wires (United States)

    Kizuka, Tokushi; Murata, Satoshi


    The tensile deformation and successive fracture process of tantalum (Ta) nanocontacts (NCs) while applying various bias voltages was observed in situ by high-resolution transmission electron microscopy using a picometer-precision dual-goniometer nanotip manipulation technique. Simultaneously, the variation in the conductance of the contacts was measured. The NCs were thinned atom by atom during mechanical elongation, resulting in the formation of two types of single-atom cross-sectional contacts: single-atom contacts (SACs) and single-atom wires (SAWs), in which two electrodes, typically nanotips, are connected by a single shared atom or a one-line array of single atoms, respectively. When the bias voltage was 11 mV, Ta SACs were formed during tensile deformation; however, elongation of the single-atom cross-sectional part did not occur. In contrast, when the bias voltage was increased to 200 mV, Ta SACs were first formed during the tensile deformation, followed by elongation of the single-atom cross section up to a length of three atoms, i.e., the formation of SAWs. Thus, the present observation shows that Ta SAWs are stable even at such a high bias voltage. The conductance of the SACs was approximately 0.10G0 (G0 = 2e2/h, where e is the electron charge and h is Planck’s constant), whereas the conductance of the three-atom-long SAWs ranged from 0.01G0 to 0.22G0. Lower conductances were observed for linear SAWs, whereas higher conductances resulted from kinked SAWs.

  15. Imaging: Insight Engineering. (United States)

    Weaver, Richard L., II; Cotrell, Howard W.

    Imaging is the process of creating mental pictures that can be scanned as people would scan a current event. It is a real, powerful personal process, which has been used in medicine, science, health care, sports, creativity, education, and other areas. On a day-to-day level, imaging can be used to engineer insights regarding self-concept,…

  16. Outsourcing/Offshoring Insights

    DEFF Research Database (Denmark)

    Tate, Wendy; Bals, Lydia


    Findings: Both the geographical and governance dimensions are part of the rightshoring decision which is an important conceptual foundation for this special issue, as it invited insightful pieces on all of these phenomena (e.g. outsourcing, insourcing, offshoring, reshoring), acknowledging...... issue and provides guidance to scholars and managers alike....

  17. New Insights into Obesity

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 8; Issue 12. New Insights into Obesity. D D Bansal Ravneet Kaur Boparai. Research News Volume 8 Issue 12 December 2003 pp 92-93. Fulltext. Click here to view fulltext PDF. Permanent link: ...

  18. Africa Insight: Editorial Policies

    African Journals Online (AJOL)

    Articles appearing in Africa Insight are abstracted or indexed in Sociological Abstracts, Social Services Abstracts, Worldwide Political Science Abstracts, Linguistics and Language Behaviour Abstracts, International Bibliography of the Social Sciences, African Studies Abstracts, AfricaBib, African Book Publishing Record, ...

  19. Optically polarized atoms understanding light-atom interactions

    CERN Document Server

    Auzinsh, Marcis; Rochester, Simon M


    This book is addressed at upper-level undergraduate and graduate students involved in research in atomic, molecular, and optical Physics. It will also be useful to researchers practising in this field. It gives an intuitive, yet sufficiently detailed and rigorous introduction to light-atom interactions with a particular emphasis on the symmetry aspects of the interaction, especially those associated with the angular momentum of atoms and light. The book will enable readers to carryout practical calculations on their own, and is richly illustrated with examples drawn from current research topic

  20. Atoms, Light, and Lasers (United States)

    Bellac, Michel Le


    Up to now, the spatial properties of quantum particles played no more than a secondary role: we only needed the de Broglie relation (1.4) which gives the quantum particles wavelength, and our discussion of the quantum properties of photons was based mainly on their polarization, which is an internal degree of freedom of the photon. The probability amplitudes which we used did not involve the positions or velocities of the particles, which are spatial, or external degrees of freedom. In the present chapter, we shall introduce spatial dependence by defining probability amplitudes a(ěc r) that are functions of the position ěc r. In full generality, a(ěc r) is a complex number, but we shall avoid this complication and discuss only cases where the probability amplitudes may be taken real. For simplicity, we also limit ourselves to particles propagating along a straight line, which we take as the Ox axis: x will define the position of the particle and the corresponding probability amplitude will be a function of x, a(x). In our discussion, we shall need to introduce the so-called potential well, where a particle travels back and forth between two points on the straight line. One important particular case is the infinite well, where the particle is confined between two infinitely high walls over which it cannot pass. This example is not at all academic, and we shall meet it again in Chapter 6 when explaining the design of a laser diode! Furthermore, it will allow us to introduce the notion of energy level, to write down the Heisenberg inequalities, to understand the interaction of a light wave with an atom and finally to explain schematically the principles of the laser.

  1. Electronic structure of atoms: atomic spectroscopy information system (United States)

    Kazakov, V. V.; Kazakov, V. G.; Kovalev, V. S.; Meshkov, O. I.; Yatsenko, A. S.


    The article presents a Russian atomic spectroscopy, information system electronic structure of atoms (IS ESA) (, and describes its main features and options to support research and training. The database contains over 234 000 records, great attention paid to experimental data and uniform filling of the database for all atomic numbers Z, including classified levels and transitions of rare earth and transuranic elements and their ions. Original means of visualization of scientific data in the form of spectrograms and Grotrian diagrams have been proposed. Presentation of spectral data in the form of interactive color charts facilitates understanding and analysis of properties of atomic systems. The use of the spectral data of the IS ESA together with its functionality is effective for solving various scientific problems and training of specialists.

  2. Quantum Electronics for Atomic Physics

    CERN Document Server

    Nagourney, Warren


    Quantum Electronics for Atomic Physics provides a course in quantum electronics for researchers in atomic physics. The book covers the usual topics, such as Gaussian beams, cavities, lasers, nonlinear optics and modulation techniques, but also includes a number of areas not usually found in a textbook on quantum electronics. It includes such practical matters as the enhancement of nonlinear processes in a build-up cavity, impedance matching into a cavity, laser frequencystabilization (including servomechanism theory), astigmatism in ring cavities, and atomic/molecular spectroscopic techniques

  3. Fundamentals in hadronic atom theory

    CERN Document Server

    Deloff, A


    Hadronic atoms provide a unique laboratory for studying hadronic interactions essentially at threshold. This text is the first book-form exposition of hadronic atom theory with emphasis on recent developments, both theoretical and experimental. Since the underlying Hamiltonian is a non-self-adjoined operator, the theory goes beyond traditional quantum mechanics and this book covers topics that are often glossed over in standard texts on nuclear physics. The material contained here is intended for the advanced student and researcher in nuclear, atomic or elementary-particle physics. A good know

  4. Atomic-resolution studies of In{sub 2}O{sub 3}-ZnO compounds on aberration-corrected electron microscopes

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Wentao


    In this work, the characteristic inversion domain microstructures of In{sub 2}O{sub 3}(ZnO){sub m} (m=30) compounds were investigated by TEM methods. At bright-atom contrast condition, atomically resolved HR-TEM images of In{sub 2}O{sub 3}(ZnO){sub 30} were successfully acquired in [1 anti 100] zone axis of ZnO, with projected metal columns of {proportional_to}1.6 A well resolved. From contrast maxima in the TEM images, local lattice distortions at the pyramidal inversion domain boundaries were observed for the first time. Lattice displacements and the strain field in two-dimensions were visualized and measured using the 'DALI' algorithm. Atomically resolved single shot and focal series images of In{sub 2}O{sub 3}(ZnO){sub 30} were achieved in both zone axes of ZnO, [1 anti 100] and [2 anti 1 anti 10], respectively. The electron waves at the exit-plane were successfully reconstructed using the software package 'TrueImage'. Finally, a three dimensional atomic structure model for the pyramidal IDB was proposed, with an In distribution of 10%, 20%, 40%, 20% and 10% of In contents over 5 atom columns along basal planes, respectively. Through a detailed structural study of In{sub 2}O{sub 3}(ZnO){sub m} compounds by using phase-contrast and Z-contrast imaging at atomic resolution, In{sup 3+} atoms are determined with trigonal bi-pyramidal co-ordination and are distributed at the pyramidal IDBs. (orig.)

  5. AtomPy: an open atomic-data curation environment (United States)

    Bautista, Manuel; Mendoza, Claudio; Boswell, Josiah S; Ajoku, Chukwuemeka


    We present a cloud-computing environment for atomic data curation, networking among atomic data providers and users, teaching-and-learning, and interfacing with spectral modeling software. The system is based on Google-Drive Sheets, Pandas (Python Data Analysis Library) DataFrames, and IPython Notebooks for open community-driven curation of atomic data for scientific and technological applications. The atomic model for each ionic species is contained in a multi-sheet Google-Drive workbook, where the atomic parameters from all known public sources are progressively stored. Metadata (provenance, community discussion, etc.) accompanying every entry in the database are stored through Notebooks. Education tools on the physics of atomic processes as well as their relevance to plasma and spectral modeling are based on IPython Notebooks that integrate written material, images, videos, and active computer-tool workflows. Data processing workflows and collaborative software developments are encouraged and managed through the GitHub social network. Relevant issues this platform intends to address are: (i) data quality by allowing open access to both data producers and users in order to attain completeness, accuracy, consistency, provenance and currentness; (ii) comparisons of different datasets to facilitate accuracy assessment; (iii) downloading to local data structures (i.e. Pandas DataFrames) for further manipulation and analysis by prospective users; and (iv) data preservation by avoiding the discard of outdated sets.

  6. World energy insight 2011

    Energy Technology Data Exchange (ETDEWEB)



    The World Energy Insight 2011 is the official publication of the World Energy Council. It includes interviews, articles and case studies from a distinguished panel of World Energy Council Officers, CEOs, government ministers, academics and opinion formers from all areas of the energy sector and provides perspectives from around the globe. Government, industry and NGO's offer both policy and technology perspectives. The insights within this publication add to the work that WEC is doing to provide the forum for energy leaders, along with the on-going WEC studies and programmes on Energy Policies, 2050 Energy Scenarios, Energy Resources & Technologies, Energy for Urban Innovation, Rules Of Energy Trade and Global Energy Access.

  7. Update on INSIGHTS Development

    Energy Technology Data Exchange (ETDEWEB)

    Not Listed; Eric Burgett


    INSIGHTS is a transformational separate effects testing capability to perform in situ irradiation studies and characterization of the microscale behavior of nuclear fuel materials under a wide variety of in-pile conditions. Separate effects testing including growth, irradiation, and monitoring of these materials, and encompasses the full science based approach for fuels development from the nanoscale to the mesoscale behavior of the sample material and other defects driven by the modeling and simulation efforts of INL.

  8. Dimer-atom-atom recombination in the universal four-boson system


    Deltuva, A.


    The dimer-atom-atom recombination process in the system of four identical bosons with resonant interactions is studied. The description uses the exact Alt, Grassberger and Sandhas equations for the four-particle transition operators that are solved in the momentum-space framework. The dimer-dimer and atom-trimer channel contributions to the ultracold dimer-atom-atom recombination rate are calculated. The dimer-atom-atom recombination rate greatly exceeds the three-atom recombination rate.

  9. Neutral atom traps of radioactives

    CERN Document Server

    Behr, J A


    Neutral atoms trapped with modern laser cooling techniques offer the promise of improving several broad classes of experiments with radioactive isotopes. In nuclear beta decay, neutrino spectroscopy from beta-recoil coincidences, along with highly polarized samples, enable experiments to search for non-Standard Model interactions, test whether parity symmetry is maximally violated, and search for new sources of time reversal violation. Ongoing efforts at TRIUMF, Los Alamos and Berkeley will be highlighted. The traps also offer bright sources for Doppler-free spectroscopy, particularly in high-Z atoms where precision measurements could measure the strength of weak neutral nucleon-nucleon and electron-nucleon interactions. Physics with francium atoms has been vigorously pursued at Stony Brook. Several facilities plan work with radioactive atom traps; concrete plans and efforts at KVI Groningen and Legnaro will be among those summarized. Contributions to the multidisciplinary field of trace analysis will be left...

  10. PubChem atom environments. (United States)

    Hähnke, Volker D; Bolton, Evan E; Bryant, Stephen H


    Atom environments and fragments find wide-spread use in chemical information and cheminformatics. They are the basis of prediction models, an integral part in similarity searching, and employed in structure search techniques. Most of these methods were developed and evaluated on the relatively small sets of chemical structures available at the time. An analysis of fragment distributions representative of most known chemical structures was published in the 1970s using the Chemical Abstracts Service data system. More recently, advances in automated synthesis of chemicals allow millions of chemicals to be synthesized by a single organization. In addition, open chemical databases are readily available containing tens of millions of chemical structures from a multitude of data sources, including chemical vendors, patents, and the scientific literature, making it possible for scientists to readily access most known chemical structures. With this availability of information, one can now address interesting questions, such as: what chemical fragments are known today? How do these fragments compare to earlier studies? How unique are chemical fragments found in chemical structures? For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity. Bonds were differentiated as single, double, triple or aromatic bonds. Atom environments were created in a circular manner focused on a central atom with radii from 0 (atom types) up to 3 (representative of ECFP_6 fragments). In total, combining atom types and atom environments that include up to three spheres of nearest neighbors, our investigation identified 28,462,319 unique fragments in the 46 million structures found in the PubChem Compound database as of January 2013. We could identify several factors inflating the number of environments involving transition metals, with many

  11. Atomic layer deposition for semiconductors

    CERN Document Server

    Hwang, Cheol Seong


    This edited volume discusses atomic layer deposition (ALD) for all modern semiconductor devices, moving from the basic chemistry of ALD and modeling of ALD processes to sections on ALD for memories, logic devices, and machines.

  12. Rydberg atoms: Two to tango (United States)

    Löw, Robert


    The old adage that you can't tango alone is certainly true for humans. But recent experiments show that it may also be applicable to Rydberg atoms, which keep a beat through the coherent exchange of energy.

  13. Characteristics of layered tin disulfide deposited by atomic layer deposition with H2S annealing

    Directory of Open Access Journals (Sweden)

    Seungjin Lee


    Full Text Available Tin disulfide (SnS2 has attracted much attention as a two-dimensional (2D material. A high-quality, low-temperature process for producing 2D materials is required for future electronic devices. Here, we investigate tin disulfide (SnS2 layers deposited via atomic layer deposition (ALD using tetrakis(dimethylaminotin (TDMASn as a Sn precursor and H2S gas as a sulfur source at low temperature (150° C. The crystallinity of SnS2 was improved by H2S gas annealing. We carried out H2S gas annealing at various conditions (250° C, 300° C, 350° C, and using a three-step method. Angle-resolved X-ray photoelectron spectroscopy (ARXPS results revealed the valence state corresponding to Sn4+ and S2- in the SnS2 annealed with H2S gas. The SnS2 annealed with H2S gas had a hexagonal structure, as measured via X-ray diffraction (XRD and the clearly out-of-plane (A1g mode in Raman spectroscopy. The crystallinity of SnS2 was improved after H2S annealing and was confirmed using the XRD full-width at half-maximum (FWHM. In addition, high-resolution transmission electron microscopy (HR-TEM images indicated a clear layered structure.

  14. Atomically Sharp Interface in an h-BN-epitaxial graphene van der Waals Heterostructure (United States)

    Sediri, Haikel; Pierucci, Debora; Hajlaoui, Mahdi; Henck, Hugo; Patriarche, Gilles; Dappe, Yannick J.; Yuan, Sheng; Toury, Bérangère; Belkhou, Rachid; Silly, Mathieu G.; Sirotti, Fausto; Boutchich, Mohamed; Ouerghi, Abdelkarim


    Stacking various two-dimensional atomic crystals is a feasible approach to creating unique multilayered van der Waals heterostructures with tailored properties. Herein for the first time, we present a controlled preparation of large-area h-BN/graphene heterostructures via a simple chemical deposition of h-BN layers on epitaxial graphene/SiC(0001). Van der Waals forces, which are responsible for the cohesion of the multilayer system, give rise to an abrupt interface without interdiffusion between graphene and h-BN, as shown by X-ray Photoemission Spectroscopy (XPS) and direct observation using scanning and High-Resolution Transmission Electron Microscopy (STEM/HRTEM). The electronic properties of graphene, such as the Dirac cone, remain intact and no significant charge transfer i.e. doping, is observed. These results are supported by Density Functional Theory (DFT) calculations. We demonstrate that the h-BN capped graphene allows the fabrication of vdW heterostructures without altering the electronic properties of graphene. PMID:26585245

  15. Chain formation of metal atoms

    DEFF Research Database (Denmark)

    Bahn, Sune Rastad; Jacobsen, Karsten Wedel


    The possibility of formation of single-atomic chains by manipulation of nanocontacts is studied for a selection of metals (Ni, Pd, Pt, Cu, Ag, Au). Molecular dynamics simulations show that the tendency for chain formation is strongest for Au and Pt. Density functional theory calculations indicate...... that the metals which form chains exhibit pronounced many-atom interactions with strong bonding in low coordinated systems....

  16. Copper atomic-scale transistors

    Directory of Open Access Journals (Sweden)

    Fangqing Xie


    Full Text Available We investigated copper as a working material for metallic atomic-scale transistors and confirmed that copper atomic-scale transistors can be fabricated and operated electrochemically in a copper electrolyte (CuSO4 + H2SO4 in bi-distilled water under ambient conditions with three microelectrodes (source, drain and gate. The electrochemical switching-on potential of the atomic-scale transistor is below 350 mV, and the switching-off potential is between 0 and −170 mV. The switching-on current is above 1 μA, which is compatible with semiconductor transistor devices. Both sign and amplitude of the voltage applied across the source and drain electrodes (Ubias influence the switching rate of the transistor and the copper deposition on the electrodes, and correspondingly shift the electrochemical operation potential. The copper atomic-scale transistors can be switched using a function generator without a computer-controlled feedback switching mechanism. The copper atomic-scale transistors, with only one or two atoms at the narrowest constriction, were realized to switch between 0 and 1G0 (G0 = 2e2/h; with e being the electron charge, and h being Planck’s constant or 2G0 by the function generator. The switching rate can reach up to 10 Hz. The copper atomic-scale transistor demonstrates volatile/non-volatile dual functionalities. Such an optimal merging of the logic with memory may open a perspective for processor-in-memory and logic-in-memory architectures, using copper as an alternative working material besides silver for fully metallic atomic-scale transistors.

  17. Rydberg Atom Quantum Hybrid Systems (United States)

    Chao, Yuanxi; Sheng, Jiteng; Kumar, Santosh; Bigelow, Nicholas P.; Shaffer, James P.


    We report on our recent experimental and theoretical work with Rydberg atom-cavity and Rydberg atom-surface hybrid quantum systems. In the atom-cavity system, Rb contained in a dipole trap is transported into a high-finesse optical cavity using a focus-tunable lens. Cavity assisted Rydberg EIT is observed in the cavity transmission and used to characterize the electric fields in the cavity. The electric fields are attributed to surface adsorbates adhering to the cavity mirrors. We also investigate the coupling of a Rydberg atom ensemble to surface phonon polaritons (SPhPs) propagating on piezoelectric superlattices made from thin film ferroelectric materials. Strong coupling between the atomic and surface excitations can be achieved, due to the large Rydberg transition dipole moments and the local field enhancement of the SPhP modes. The system has many advantages for information transport since the atoms need only be placed at distances on the order of mms from the surface and the SPhPs do not couple to free space electro-magnetic fields. Experimental progress will be discussed, including the fabrication of submicron-period periodically poled Lithium Niobate using the direct e-beam writing technique. This work is supported by AFOSR.

  18. Atom-by-Atom Construction of a Quantum Device. (United States)

    Petta, Jason R


    Scanning tunneling microscopes (STMs) are conventionally used to probe surfaces with atomic resolution. Recent advances in STM include tunneling from spin-polarized and superconducting tips, time-domain spectroscopy, and the fabrication of atomically precise Si nanoelectronics. In this issue of ACS Nano, Tettamanzi et al. probe a single-atom transistor in silicon, fabricated using the precision of a STM, at microwave frequencies. While previous studies have probed such devices in the MHz regime, Tettamanzi et al. probe a STM-fabricated device at GHz frequencies, which enables excited-state spectroscopy and measurements of the excited-state lifetime. The success of this experiment will enable future work on quantum control, where the wave function must be controlled on a time scale that is much shorter than the decoherence time. We review two major approaches that are being pursued to develop spin-based quantum computers and highlight some recent progress in the atom-by-atom fabrication of donor-based devices in silicon. Recent advances in STM lithography may enable practical bottom-up construction of large-scale quantum devices.

  19. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem

    Energy Technology Data Exchange (ETDEWEB)

    Humphreys, C.J., E-mail: [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Griffiths, J.T., E-mail: [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Tang, F., E-mail: [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Oehler, F., E-mail: [CNRS/C2N, Paris Sud University, Route de Nozay, 91460 Marcoussis (France); Findlay, S.D., E-mail: [School of Physics and Astronomy, Monash University, Victoria 3800 (Australia); Zheng, C., E-mail: [Monash Centre for Electron Microscopy, Monash University, Victoria 3800 (Australia); Etheridge, J., E-mail: [Department of Materials Science and Engineering, Monash University, Victoria 3800 (Australia); Martin, T.L., E-mail: [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Bagot, P.A.J., E-mail: [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Moody, M.P., E-mail: [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Sutherland, D., E-mail: [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Dawson, P., E-mail: [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S., E-mail: [Tyndall National Institute, Lee Maltings Complex, Dyke Parade, Cork (Ireland); and others


    Highlights: • We have studied the atomic structure of polar and non-polar InGaN quantum wells. • The non-polar (11-20) InGaN quantum wells contain indium-rich clusters, unlike the polar (0001) quantum wells. • The electrons and holes in the quantum wells are localised by different mechanisms. - Abstract: We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20 meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60 meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

  20. Cementoenamel junction: An insight

    Directory of Open Access Journals (Sweden)

    Kharidi Laxman Vandana


    Full Text Available The location and nature of cemento-enamel junction (CEJ are more than descriptive terms used simply to describe some aspects of tooth morphology; however, CEJ gains a lot of clinical significance due to various measurements dependent on it. It may be necessary to determine the location and pathological changes occurring at CEJ to make a diagnosis and treat diseases pertaining to epithelial attachment and gingival margin. However, the information related to CEJ is not discussed commonly. Hence, the present review paper provides an insight on CEJ in both primary and permanent dentition.

  1. Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters. (United States)

    Manzoor, Dar; Pal, Sourav


    Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different catalytic applications and low cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic properties of inert silver clusters. Our results affirm that the hydrogen atom chemisorption leads to enhancement in the binding energy of the adsorbed O2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH silver clusters. Pertinent to the increase in the O-O bond length, a significant red shift in the O-O stretching frequency is also noted in the case of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and high heat of formation of the final products for the environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters. The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.

  2. Atomic and molecular adsorption on Fe(110) (United States)

    Xu, Lang; Kirvassilis, Demetrios; Bai, Yunhai; Mavrikakis, Manos


    Iron is the principal catalyst for the ammonia synthesis process and the Fischer-Tropsch process, as well as many other heterogeneously catalyzed reactions. It is thus of fundamental importance to understand the interactions between the iron surface and various reaction intermediates. Here, we present a systematic study of atomic and molecular adsorption behavior over Fe(110) using periodic, self-consistent density functional theory (DFT-GGA) calculations. The preferred binding sites, binding energies, and the corresponding surface deformation energies of five atomic species (H, C, N, O, and S), six molecular species (NH3, CH4, N2, CO, HCN, and NO), and eleven molecular fragments (CH, CH2, CH3, NH, NH2, OH, CN, COH, HCO, NOH, and HNO) were determined on the Fe(110) surface at a coverage of 0.25 monolayer. The binding strengths calculated using the PW91 functional decreased in the following order: C > CH >N > O > S > NH > COH > CN > CH2 > NOH > OH > HNO > HCO > NH2 > H > NO > HCN > CH3 > CO > N2 > NH3. No stable binding structures were observed for CH4. The estimated diffusion barriers and pathways, as well as the adsorbate-surface and intramolecular vibrational modes of all the adsorbates at their preferred binding sites, were identified. Using the calculated adsorption energetics, we constructed the potential energy surfaces for a few surface reactions including the decomposition of methane, ammonia, dinitrogen, carbon monoxide, and nitric oxide. These potential energy surfaces provide valuable insight into the ability of Fe(110) to catalyze common elementary steps.

  3. Atomic-cascade experiment with detection of the recoil atom

    Energy Technology Data Exchange (ETDEWEB)

    Huelga, S.F. (Dept. de Fisica, Univ. de Oviedo (Spain)); Ferrero, M. (Dept. de Fisica, Univ. de Oviedo (Spain)); Santos, E. (Dept. de Fisica Moderna, Univ. de Cantabria (Spain))


    Bell's inequalities cannot be violated in atomic-cascade experiments, even with ideal apparatus, due to the three-body character of the atomic decay. Here we propose a new experiment that would block this loophole by means of a suitable selection of an ensemble of photon pairs. A threshold value for the quantum efficiency is found which may allow the discrimination between quantum mechanics and local-hidden-variables theories. Experimental requirements for performing such a test are discussed. (orig.).

  4. Efficient transfer of francium atoms (United States)

    Aubin, Seth; Behr, John; Gorelov, Alexander; Pearson, Matt; Tandecki, Michael; Collister, Robert; Gwinner, Gerald; Shiells, Kyle; Gomez, Eduardo; Orozco, Luis; Zhang, Jiehang; Zhao, Yanting; FrPNC Collaboration


    We report on the progress of the FrPNC collaboration towards Parity Non Conservation Measurements (PNC) using francium atoms at the TRIUMF accelerator. We demonstrate efficient transfer (higher than 40%) to the science vacuum chamber where the PNC measurements will be performed. The transfer uses a downward resonant push beam from the high-efficiency capture magneto optical trap (MOT) towards the science chamber where the atoms are recaptured in a second MOT. The transfer is very robust with respect to variations in the parameters (laser power, detuning, alignment, etc.). We accumulate a growing number of atoms at each transfer pulse (limited by the lifetime of the MOT) since the push beam does not eliminate the atoms already trapped in the science MOT. The number of atoms in the science MOT is on track to meet the requirements for competitive PNC measurements when high francium rates (previously demonstrated) are delivered to our apparatus. The catcher/neutralizer for the ion beam has been tested reliably to 100,000 heating/motion cycles. We present initial tests on the direct microwave excitation of the ground hyperfine transition at 45 GHz. Support from NSERC and NRC from Canada, NSF and Fulbright from USA, and CONACYT from Mexico.

  5. Observation of relativistic antihydrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Blanford, Glenn DelFosse


    An observation of relativistic antihydrogen atoms is reported in this dissertation. Experiment 862 at Fermi National Accelerator Laboratory observed antihydrogen atoms produced by the interaction of a circulating beam of high momentum (3 < p < 9 GeV/c) antiprotons and a jet of molecular hydrogen gas. Since the neutral antihydrogen does not bend in the antiproton source magnets, the detectors could be located far from the interaction point on a beamline tangent to the storage ring. The detection of the antihydrogen is accomplished by ionizing the atoms far from the interaction point. The positron is deflected by a magnetic spectrometer and detected, as are the back to back photons resulting from its annihilation. The antiproton travels a distance long enough for its momentum and time of flight to be measured accurately. A statistically significant sample of 101 antihydrogen atoms has been observed. A measurement of the cross section for {bar H}{sup 0} production is outlined within. The cross section corresponds to the process where a high momentum antiproton causes e{sup +} e{sup -} pair creation near a nucleus with the e{sup +} being captured by the antiproton. Antihydrogen is the first atom made exclusively of antimatter to be detected. The observation experiment's results are the first step towards an antihydrogen spectroscopy experiment which would measure the n = 2 Lamb shift and fine structure.

  6. Atomic memory access hardware implementations (United States)

    Ahn, Jung Ho; Erez, Mattan; Dally, William J


    Atomic memory access requests are handled using a variety of systems and methods. According to one example method, a data-processing circuit having an address-request generator that issues requests to a common memory implements a method of processing the requests using a memory-access intervention circuit coupled between the generator and the common memory. The method identifies a current atomic-memory access request from a plurality of memory access requests. A data set is stored that corresponds to the current atomic-memory access request in a data storage circuit within the intervention circuit. It is determined whether the current atomic-memory access request corresponds to at least one previously-stored atomic-memory access request. In response to determining correspondence, the current request is implemented by retrieving data from the common memory. The data is modified in response to the current request and at least one other access request in the memory-access intervention circuit.

  7. Modeling for Insights

    Energy Technology Data Exchange (ETDEWEB)

    Jacob J. Jacobson; Gretchen Matthern


    System Dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, System Dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The real power of System Dynamic modeling is gaining insights into total system behavior as time, and system parameters are adjusted and the effects are visualized in real time. System Dynamic models allow decision makers and stakeholders to explore long-term behavior and performance of complex systems, especially in the context of dynamic processes and changing scenarios without having to wait decades to obtain field data or risk failure if a poor management or design approach is used. The Idaho National Laboratory recently has been developing a System Dynamic model of the US Nuclear Fuel Cycle. The model is intended to be used to identify and understand interactions throughout the entire nuclear fuel cycle and suggest sustainable development strategies. This paper describes the basic framework of the current model and presents examples of useful insights gained from the model thus far with respect to sustainable development of nuclear power.

  8. Capturing atomic-scale carrier dynamics with electrons (United States)

    Baum, Peter; Krausz, Ferenc


    Light-driven electronic motion unfolds on times as short as the cycle period of light and on length scales as small as the distance between two neighboring atoms in a molecule. Visualizing fundamental light-matter interactions therefore requires access to attosecond and picometer dimensions. Here we report on a potential unification of electron diffraction and microscopy with attosecond technology, which could provide a full space-time access to elementary electronic processes in matter and materials. We review recent progress in ultrafast diffraction and microscopy towards temporal resolutions approaching 10 fs by use of state-of-the-art microwave technology and discuss our latest findings on all-optical compression approaches for reaching sub-femtosecond, sub-optical-cycle resolution. Four-dimensional electron diffraction with attosecond-picometer resolution will access all dynamics outside the atomic core, offering an all-embracing insight into fundamental electron-nuclear dynamics of complex materials.

  9. Latest Insights on Adenovirus Structure and Assembly

    Directory of Open Access Journals (Sweden)

    Carmen San Martín


    Full Text Available Adenovirus (AdV capsid organization is considerably complex, not only because of its large size (~950 Å and triangulation number (pseudo T = 25, but also because it contains four types of minor proteins in specialized locations modulating the quasi-equivalent icosahedral interactions. Up until 2009, only its major components (hexon, penton, and fiber had separately been described in atomic detail. Their relationships within the virion, and the location of minor coat proteins, were inferred from combining the known crystal structures with increasingly more detailed cryo-electron microscopy (cryoEM maps. There was no structural information on assembly intermediates. Later on that year, two reports described the structural differences between the mature and immature adenoviral particle, starting to shed light on the different stages of viral assembly, and giving further insights into the roles of core and minor coat proteins during morphogenesis [1,2]. Finally, in 2010, two papers describing the atomic resolution structure of the complete virion appeared [3,4]. These reports represent a veritable tour de force for two structural biology techniques: X-ray crystallography and cryoEM, as this is the largest macromolecular complex solved at high resolution by either of them. In particular, the cryoEM analysis provided an unprecedented clear picture of the complex protein networks shaping the icosahedral shell. Here I review these latest developments in the field of AdV structural studies.

  10. Laser manipulation of atoms and nanofabrication

    NARCIS (Netherlands)

    Jurdík, Erich


    Fundamental interaction processes between atoms and photons are exploited to control external degrees of freedom of the atoms. Laser light, when properly tuned near an atomic resonance, exerts such forces that the atoms are repelled from or attracted to the regions with low light intensities. We use

  11. Trapping fermionic and bosonic helium atoms

    NARCIS (Netherlands)

    Stas, R.J.W.


    This thesis presents experimental and theoretical work performed at the Laser Centre of the Vrije Universiteit in Amsterdam to study laser-cooled metastable triplet helium atoms. Samples containing about 3x10^8 helium atoms-either fermionic helium-3 atoms, bosonic helium-4 atoms or mixtures

  12. Cooling Atomic Gases With Disorder (United States)

    Paiva, Thereza; Khatami, Ehsan; Yang, Shuxiang; Rousseau, Valéry; Jarrell, Mark; Moreno, Juana; Hulet, Randall G.; Scalettar, Richard T.


    Cold atomic gases have proven capable of emulating a number of fundamental condensed matter phenomena including Bose-Einstein condensation, the Mott transition, Fulde-Ferrell-Larkin-Ovchinnikov pairing, and the quantum Hall effect. Cooling to a low enough temperature to explore magnetism and exotic superconductivity in lattices of fermionic atoms remains a challenge. We propose a method to produce a low temperature gas by preparing it in a disordered potential and following a constant entropy trajectory to deliver the gas into a nondisordered state which exhibits these incompletely understood phases. We show, using quantum Monte Carlo simulations, that we can approach the Néel temperature of the three-dimensional Hubbard model for experimentally achievable parameters. Recent experimental estimates suggest the randomness required lies in a regime where atom transport and equilibration are still robust.

  13. Quantum tiltmeter with atom interferometry (United States)

    Xu, Wen-Jie; Zhou, Min-Kang; Zhao, Miao-Miao; Zhang, Ke; Hu, Zhong-Kun


    Matter-wave sensors with cold atoms have progressed tremendously over recent decades. We report a sensitive tilt sensor based on quantum technology employing cold atoms. This quantum tiltmeter is constructed with the configuration of a Ramsey-Bordé atom interferometer, achieving an improvement of nearly three orders of magnitude for tilt measurements with a short-term sensitivity of 1.3 μ rad/Hz 1 /2 , with resolution down to 55 nrad at an integration time of 1000 s. The deformation of the Earth's surface has been monitored in a continuous run of 31 h, showing that a quantum tiltmeter can be applied to record tilt tides and can be an valuable sensor in geophysics and various scientific facilities.

  14. Atom-specific surface magnetometry (United States)

    Sirotti, Fausto; Panaccione, Giancarlo; Rossi, Giorgio


    A powerful atom-specific surface magnetometry can be based on efficient measurements of magnetic dichroism in l>~0 core level photoemission. The temperature dependence M(T) of the Fe(100) surface magnetization was obtained from the photoemission magnetic asymmetry of 3p core levels, providing the measure of the surface exchange coupling via the spin-wave stiffness and of the surface critical exponent. Beyond the magnetic order the photoemission dichroism allows us to derive the energy splitting of the magnetic sublevels of the photoexcited core hole. Fe 3p photoemission dichroism probes directly the magnetic moment changes of iron atoms at Fe(100) surfaces as a function of structural disorder or sulfur segregation. The appearance of dichroism in the 2p photoemission of segregated sulfur atoms in the c(2×2)S/Fe(100) superstructure measures the magnetic-moment transfer and shows the possibility of investigating surface magnetochemistry in a very direct way.

  15. Classical theory of atom-surface scattering: The rainbow effect (United States)

    Miret-Artés, Salvador; Pollak, Eli


    The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the “washboard model” in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom-surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom-surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle-surface interactions.

  16. Electric field imaging of single atoms (United States)

    Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi


    In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures.

  17. Electric field imaging of single atoms (United States)

    Shibata, Naoya; Seki, Takehito; Sánchez-Santolino, Gabriel; Findlay, Scott D.; Kohno, Yuji; Matsumoto, Takao; Ishikawa, Ryo; Ikuhara, Yuichi


    In scanning transmission electron microscopy (STEM), single atoms can be imaged by detecting electrons scattered through high angles using post-specimen, annular-type detectors. Recently, it has been shown that the atomic-scale electric field of both the positive atomic nuclei and the surrounding negative electrons within crystalline materials can be probed by atomic-resolution differential phase contrast STEM. Here we demonstrate the real-space imaging of the (projected) atomic electric field distribution inside single Au atoms, using sub-Å spatial resolution STEM combined with a high-speed segmented detector. We directly visualize that the electric field distribution (blurred by the sub-Å size electron probe) drastically changes within the single Au atom in a shape that relates to the spatial variation of total charge density within the atom. Atomic-resolution electric field mapping with single-atom sensitivity enables us to examine their detailed internal and boundary structures. PMID:28555629

  18. Partial Dislocations in Graphene and Their Atomic Level Migration Dynamics. (United States)

    Robertson, Alex W; Lee, Gun-Do; He, Kuang; Fan, Ye; Allen, Christopher S; Lee, Sungwoo; Kim, Heeyeon; Yoon, Euijoon; Zheng, Haimei; Kirkland, Angus I; Warner, Jamie H


    We demonstrate the formation of partial dislocations in graphene at elevated temperatures of ≥500 °C with single atom resolution aberration corrected transmission electron microscopy. The partial dislocations spatially redistribute strain in the lattice, providing an energetically more favorable configuration to the perfect dislocation. Low-energy migration paths mediated by partial dislocation formation have been observed, providing insights into the atomistic dynamics of graphene during annealing. These results are important for understanding the high temperature plasticity of graphene and partial dislocation behavior in related crystal systems, such as diamond cubic materials.

  19. Atomic horror deal; Atom-Deal des Grauens

    Energy Technology Data Exchange (ETDEWEB)

    May, Hanne


    The German government is opting out of the decided nuclear phaseout and will ensure good profits for operators of nuclear power plants. Complex contracts and the disregard of safety regulations will result in a continued atomic energy policy, even beyond the next elections and in disrespect of democratic procedures and bodies. (orig.)

  20. Relativistic atomic beam spectroscopy II

    Energy Technology Data Exchange (ETDEWEB)



    The negative ion of H is one of the simplest 3-body atomic systems. The techniques we have developed for experimental study of atoms moving near speed of light have been productive. This proposal request continuing support for experimental studies of the H{sup -} system, principally at the 800 MeV linear accelerator (LAMPF) at Los Alamos. Four experiments are currently planned: photodetachment of H{sup -} near threshold in electric field, interaction of relativistic H{sup -} ions with matter, high excitations and double charge escape in H{sup -}, and multiphoton detachment of electrons from H{sup -}.

  1. Atoms, Radiation, and Radiation Protection

    CERN Document Server

    Turner, James E


    Atoms, Radiation, and Radiation Protection offers professionals and advanced students a comprehensive coverage of the major concepts that underlie the origins and transport of ionizing radiation in matter. Understanding atomic structure and the physical mechanisms of radiation interactions is the foundation on which much of the current practice of radiological health protection is based. The work covers the detection and measurement of radiation and the statistical interpretation of the data. The procedures that are used to protect man and the environment from the potential harmful effects of

  2. Acceleration effects on atomic clocks

    CERN Document Server

    Dahia, F


    We consider a free massive particle inside a box which is dragged by Rindler observers. Admitting that the particle obeys the Klein-Gordon equation, we find the frequencies of the stationary states of this system. Transitions between the stationary states are employed to set a standard frequency for a toy atomic clock. Comparing the energy spectrum of the accelerated system with the energy spectrum of an identical system in an inertial frame, we determine the influence of the instantaneous acceleration on the rate of atomic clocks. We argue that our result does not violate the clock hypothesis.

  3. Pathology of atomic bomb casualties. (United States)

    Iijima, S


    Thirty seven years ago, 6 August 1945 marks the date of the first atomic bombing never experienced in human history. It was dropped on Hiroshima and this was followed by a second bombing three days later on Nagasaki. The total deaths following exposure to the bomb by the end of 1945 totalled 140,000 (+/- 10,000) in Hiroshima and 70,000 (+/- 10,000) in Nagasaki. The present article described and outline of the physical effects of the atomic bomb and injury to the human body by exposure to the bomb.

  4. Collective dynamics of accelerated atoms (United States)

    Richter, Benedikt; Terças, Hugo; Omar, Yasser; de Vega, Inés


    We study the collective dynamics of accelerated atoms interacting with a massless field via an Unruh-deWitt-type interaction. We first derive a general Hamiltonian describing such a system and then, employing a Markovian master equation, we study the corresponding collective dynamics. In particular, we observe that the emergence of entanglement between two-level atoms is linked to the building up of coherences between them and to superradiant emission. In addition, we show that the derived Hamiltonian can be experimentally implemented by employing impurities in Bose-Einstein condensates.

  5. Experimental and Computational Studies of the Reactions of N and O Atoms with Small Heterocyclic Anions. (United States)

    Wang, Zhe-Chen; Bierbaum, Veronica M


    The existence of heterocyclic aromatic anions in extraterrestrial environments, such as the upper atmosphere of Titan, has been recently confirmed by data from the Cassini spacecraft. Nitrogen and oxygen atoms are also common species in the ionospheres of planets and moons and in the interstellar medium. In the current work, we extend previous studies to explore the reactivity of five-membered ring aromatic anions that contain nitrogen, oxygen, or sulfur (deprotonated pyrrole, furan, and thiophene) with N and O atoms both experimentally and computationally. Furanide and thiophenide anions react with the N atom by associative electron detachment (AED). All three anions react with the O atom both by AED and by processes that form ionic products. The reaction of pyrrolide anion with the O atom generates only one ionic product C4H3NO(-), corresponding to an O addition and H loss process. The corresponding process is observed as the major channel for the reaction of furanide anion with the O atom while other ionic products HCOO(-) and C2H(-) are also formed. The reaction of thiophenide with the O atom is more complex, and four ionic products are generated, of which three are sulfur-containing ions. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions, which are relevant to ionospheric and interstellar chemistry.

  6. BOOK REVIEW: Computational Atomic Structure (United States)

    Post, Douglass E.


    The primary purpose of `Computational Atomic Structure' is to give a potential user of the Multi-Configuration Hartree-Fock (MCHF) Atomic Structure Package an outline of the physics and computational methods in the package, guidance on how to use the package, and information on how to interpret and use the computational results. The book is successful in all three aspects. In addition, the book provides a good overview and review of the physics of atomic structure that would be useful to the plasma physicist interested in refreshing his knowledge of atomic structure and quantum mechanics. While most of the subjects are covered in greater detail in other sources, the book is reasonably self-contained, and, in most cases, the reader can understand the basic material without recourse to other sources. The MCHF package is the standard package for computing atomic structure and wavefunctions for single or multielectron ions and atoms. It is available from a number of ftp sites. When the code was originally written in FORTRAN 77, it could only be run on large mainframes. With the advances in computer technology, the suite of codes can now be compiled and run on present day workstations and personal computers and is thus available for use by any physicist, even those with extremely modest computing resources. Sample calculations in interactive mode are included in the book to illustrate the input needed for the code, what types of results and information the code can produce, and whether the user has installed the code correctly. The user can also specify the calculational level, from simple Hartree-Fock to multiconfiguration Hartree-Fock. The MCHF method begins by finding approximate wavefunctions for the bound states of an atomic system. This involves minimizing the energy of the bound state using a variational technique. Once the wavefunctions have been determined, other atomic properties, such as the transition rates, can be determined. The book begins with an

  7. Insights on STEM Careers

    Energy Technology Data Exchange (ETDEWEB)

    Wendelberger, Joanne Roth [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    This presentation will provide career advice for individuals seeking to go beyond just having a job to building a successful career in the areas of Science, Technology, Engineering, and Mathematics. Careful planning can be used to turn a job into a springboard for professional advancement and personal satisfaction. Topics to be addressed include setting priorities, understanding career ladders, making tough choices, overcoming stereotypes and assumptions by others, networking, developing a professional identify, and balancing a career with family and other personal responsibilities. Insights on the transition from individual technical work to leadership will also be provided. The author will draw upon experiences gained in academic, industrial, and government laboratory settings, as well as extensive professional service and community involvement.

  8. Insights into the sonochemical synthesis and properties of salt-free intrinsic plutonium colloids (United States)

    Dalodière, Elodie; Virot, Matthieu; Morosini, Vincent; Chave, Tony; Dumas, Thomas; Hennig, Christoph; Wiss, Thierry; Dieste Blanco, Oliver; Shuh, David K.; Tyliszcak, Tolek; Venault, Laurent; Moisy, Philippe; Nikitenko, Sergey I.


    Fundamental knowledge on intrinsic plutonium colloids is important for the prediction of plutonium behaviour in the geosphere and in engineered systems. The first synthetic route to obtain salt-free intrinsic plutonium colloids by ultrasonic treatment of PuO2 suspensions in pure water is reported. Kinetics showed that both chemical and mechanical effects of ultrasound contribute to the mechanism of Pu colloid formation. In the first stage, fragmentation of initial PuO2 particles provides larger surface contact between cavitation bubbles and solids. Furthermore, hydrogen formed during sonochemical water splitting enables reduction of Pu(IV) to more soluble Pu(III), which then re-oxidizes yielding Pu(IV) colloid. A comparative study of nanostructured PuO2 and Pu colloids produced by sonochemical and hydrolytic methods, has been conducted using HRTEM, Pu LIII-edge XAS, and O K-edge NEXAFS/STXM. Characterization of Pu colloids revealed a correlation between the number of Pu-O and Pu-Pu contacts and the atomic surface-to-volume ratio of the PuO2 nanoparticles. NEXAFS indicated that oxygen state in hydrolytic Pu colloid is influenced by hydrolysed Pu(IV) species to a greater extent than in sonochemical PuO2 nanoparticles. In general, hydrolytic and sonochemical Pu colloids can be described as core-shell nanoparticles composed of quasi-stoichiometric PuO2 cores and hydrolyzed Pu(IV) moieties at the surface shell.

  9. Hanbury Brown and Twiss and other atom-atom correlations: advances in quantum atom optics

    CERN Multimedia

    CERN. Geneva


    Fifty years ago, two astronomers, R. Hanbury Brown and R. Q. Twiss, invented a new method to measure the angular diameter of stars, in spite of the atmospheric fluctuations. Their proposal prompted a hot debate among physicists : how might two particles (photons), emitted independently (at opposite extremities of a star) , behave in a correlated way when detected ? It was only after the development of R Glauber's full quantum analysis that the effect was understood as a two particle quantum interference effect. From a modern perspective, it can be viewed as an early example of the amazing properties of pairs of entangled particles. The effect has now been observed with bosonic and fermionic atoms, stressing its fully quantum character. After putting these experiments in a historical perspective, I will present recent results, and comment on their significance. I will also show how our single atom detection scheme has allowed us to demonstrate the creation of atom pairs by non linear mixing of matter wa...

  10. Investigating bioconjugation by atomic force microscopy (United States)


    Nanotechnological applications increasingly exploit the selectivity and processivity of biological molecules. Integration of biomolecules such as proteins or DNA into nano-systems typically requires their conjugation to surfaces, for example of carbon-nanotubes or fluorescent quantum dots. The bioconjugated nanostructures exploit the unique strengths of both their biological and nanoparticle components and are used in diverse, future oriented research areas ranging from nanoelectronics to biosensing and nanomedicine. Atomic force microscopy imaging provides valuable, direct insight for the evaluation of different conjugation approaches at the level of the individual molecules. Recent technical advances have enabled high speed imaging by AFM supporting time resolutions sufficient to follow conformational changes of intricately assembled nanostructures in solution. In addition, integration of AFM with different spectroscopic and imaging approaches provides an enhanced level of information on the investigated sample. Furthermore, the AFM itself can serve as an active tool for the assembly of nanostructures based on bioconjugation. AFM is hence a major workhorse in nanotechnology; it is a powerful tool for the structural investigation of bioconjugation and bioconjugation-induced effects as well as the simultaneous active assembly and analysis of bioconjugation-based nanostructures. PMID:23855448

  11. Atomic Layer Thermopile Materials: Physics and Application

    Directory of Open Access Journals (Sweden)

    P. X. Zhang


    Full Text Available New types of thermoelectric materials characterized by highly anisotropic Fermi surfaces and thus anisotropic Seebeck coefficients are reviewed. Early studies revealed that there is an induced voltage in high TC oxide superconductors when the surface of the films is exposed to short light pulses. Subsequent investigations proved that the effect is due to anisotropic components of the Seebeck tensor, and the type of materials is referred to atomic layer thermopile (ALT. Our recent studies indicate that multilayer thin films at the nanoscale demonstrate enhanced ALT properties. This is in agreement with the prediction in seeking the larger figure of merit (ZT thermoelectric materials in nanostructures. The study of ALT materials provides both deep insight of anisotropic transport property of these materials and at the same time potential materials for applications, such as light detector and microcooler. By measuring the ALT properties under various perturbations, it is found that the information on anisotropic transport properties can be provided. The information sometimes is not easily obtained by other tools due to the nanoscale phase coexistence in these materials. Also, some remained open questions and future development in this research direction have been well discussed.

  12. Insights into business student's book

    CERN Document Server

    Lannon, Michael; Trappe, Tonya


    With Challenging reading and listening texts from a range of authentic business sources, New Insights into Business will really engage your students. The thorough language and vocabulary syllabus together with the strong focus on business skills development gives students everything they need to function effectively in the workplace. New Insights into Business is a self-contained course and is also an ideal follow-on to First Insights into Business.

  13. Atomic pair-state interferometer

    DEFF Research Database (Denmark)

    Nipper, J.; Balewski, Jonathan B.; Krupp, Alexander T.


    We present experiments measuring an interaction-induced phase shift of Rydberg atoms at Stark-tuned Förster resonances. The phase shift features a dispersive shape around the resonance, showing that the interaction strength and sign can be tuned coherently. We use a pair-state interferometer...

  14. Coffee Cup Atomic Force Microscopy (United States)

    Ashkenaz, David E.; Hall, W. Paige; Haynes, Christy L.; Hicks, Erin M.; McFarland, Adam D.; Sherry, Leif J.; Stuart, Douglas A.; Wheeler, Korin E.; Yonzon, Chanda R.; Zhao, Jing; Godwin, Hilary A.; Van Duyne, Richard P.


    In this activity, students use a model created from a coffee cup or cardstock cutout to explore the working principle of an atomic force microscope (AFM). Students manipulate a model of an AFM, using it to examine various objects to retrieve topographic data and then graph and interpret results. The students observe that movement of the AFM…

  15. Atom Wavelike Nature Solved Mathematically (United States)

    Sven, Charles


    Like N/S poles of a magnet the strong force field surrounding, confining the nucleus exerts an equal force [noted by this author] driving electrons away from the attraction of positively charged protons force fields in nucleus -- the mechanics for wavelike nature of electron. Powerful forces corral closely packed protons within atomic nucleus with a force that is at least a million times stronger than proton's electrical attraction that binds electrons. This then accounts for the ease of electron manipulation in that electron is already pushed away by the very strong atomic N/S force field; allowing electrons to drive photons when I strike a match. Ageless atom's electron requirements, used to drive light/photons or atom bomb, without batteries, must be supplied from a huge, external, super high frequency, super-cooled source, undetected by current technology, one that could exist 14+ billion years without degradation -- filling a limitless space prior to Big Bang. Using only replicable physics, I show how our Universe emanated from that event.

  16. Die sonderbare Welt der Atome

    CERN Multimedia

    Greschik, Stefan


    Is a Pinhead small? Or a grain of sand? The components of our world are still infinitely much tinier. Come with us in the dimensions, in that of the giant bacteria and even of atoms large like solar systems (3½ pages)

  17. Atomic Configuration of a ½

    NARCIS (Netherlands)

    Hosson, J.Th.M. de; Sleeswyk, A.W.


    The atomic arrangement around a ½<111>{110} edge dislocation in an α-Fe crystallite embedded in an elastic continuum is calculated, using the Johnson-I interatomic potential. A narrow dislocation without any stacking fault results, although there is some displacement in the core parallel to the

  18. Spectroscopy, Understanding the Atom Series. (United States)

    Hellman, Hal

    This booklet is one of the "Understanding the Atom" Series. The science of spectroscopy is presented by a number of topics dealing with (1) the uses of spectroscopy, (2) its origin and background, (3) the basic optical systems of spectroscopes, spectrometers, and spectrophotometers, (4) the characteristics of wave motion, (5) the…

  19. Electrostatics of Atoms and Molecules

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 7; Issue 2. Electrostatics of Atoms and Molecules. G Narahari Sastry. Book Review Volume 7 Issue 2 February 2002 pp 90-91. Fulltext. Click here to view fulltext PDF. Permanent link: ...

  20. Robert Dicke and Atomic Physics

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 16; Issue 4. Robert Dicke and Atomic Physics. Vasant Natarajan. General Article Volume 16 Issue 4 April 2011 pp 322-332. Fulltext. Click here to view fulltext PDF. Permanent link: Keywords.

  1. Magnetism of a single atom

    NARCIS (Netherlands)

    Otte, Alexander Ferdinand


    A low-temperature scanning tunneling microscope is used to perform spin-excitations on individual magnetic transition metal atoms when placed onto a crystal surface. By following these excitations while applying external magnetic fields the precise influence of the anisotropic crystal field on the

  2. Atomism from Newton to Dalton. (United States)

    Schofield, Robert E.


    Indicates that although Newton's achievements were rooted in an atomistic theory of matter resembling aspects of modern nuclear physics, Dalton developed his chemical atomism on the basis of the character of the gross behavior of substances rather than their particulate nature. (Author/SK)

  3. Atoms at the Science Fair

    Energy Technology Data Exchange (ETDEWEB)

    LeCompte, Robert G. [AEC Division of Technical Information; Wood, Burrell L. [AEC Division of Special Projects


    The United States Atomic Energy Commission has prepared this booklet to help young science fair exhibitors, their science teachers, project counselors, and parents. The booklet suggests some of the numerous nuclear topics on which students can base meaningful science projects. It offers all exhibitors advice on how to plan, design, and construct successful exhibits.

  4. Small amplitude atomic force spectroscopy

    NARCIS (Netherlands)

    de Beer, Sissi; van den Ende, Henricus T.M.; Ebeling, Daniel; Mugele, Friedrich Gunther; Bhushan, Bharat


    Over the years atomic force microscopy has developed from a pure imaging technique to a tool that can be employed for measuring quantitative tip–sample interaction forces. In this chapter we provide an overview of various techniques to extract quantitative tip–sample forces focusing on both


    The operating principles and performance of a new type of spray nozzle are presented. This nozzle, termed a "ligament-controlled effervescent atomizer," was developed to allow consumer product manufacturers to replace volatile organic compound (VOC) solvents with water and hydroc...

  6. Atomic Power | Taylor | Zede Journal

    African Journals Online (AJOL)

    Zede Journal. Journal Home · ABOUT THIS JOURNAL · Advanced Search · Current Issue · Archives · Journal Home > Vol 3 (1968) >. Log in or Register to get access to full text downloads. Username, Password, Remember me, or Register. Atomic Power. D Taylor. Abstract. No Abstract. Full Text: EMAIL FREE FULL TEXT ...

  7. Chemistry with bigger, better atoms

    Indian Academy of Sciences (India)


    Why are QD-QD solids Stoichiometric. • Adjacent QD levels are <0.1 eV apart. • In contrast, atomic oxidation states are separated by. ~1 eV. • Creation of a Stoichiometric defect is 1012 times easier. × Packing Effects. × (Impossible in disordered solids). × Shell Filling. × (Insufficient level separation) ...

  8. Peace and the Atomic Bomb

    Energy Technology Data Exchange (ETDEWEB)

    Bradbury, Norris E. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Meade, Roger Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    A little over three years after assuming the directorship of the Los Alamos Scientific Laboratory, Norris Bradbury returned to his alma mater, Pomona College, and delivered one of his first extended speeches regarding the atomic bomb. Bradbury noted that although the atomic bomb had brought a “peace of kind,” ending World War II, the bomb also had become, without much thought, a “factor in the political, military, and diplomatic thinking of the world.” Bradbury hoped his speech, given to both the faculty and student body of Pomona, would give his audience a foundation on which to assess and understand the new world the bomb had ushered into existence. Bradbury’s talk was quickly printed an distributed by Pomona College and, later, reprinted in The Physical Review (Volume 75, No. 8, 1154-1160, April 15, 1949). It is reprinted here, for a third time, as a reminder of the early days of Los Alamos and its role in international affairs. "Slightly more that three years ago, this country brought to an end the most catastrophic war in history. The conflict had been characterized by an unremitting application of science to the technology of destruction. The final use of the atomic bomb, however, provided a climax so striking that the inevitable nature of future wars was illustrated with the utmost clarity. Peace of a kind followed the first military use of atomic weapons, but international understanding did not, and the atomic bomb became a factor in the political, military, and diplomatic thinking of the world. Where do we now stand in all this? What are the costs and the rewards? Where are we going? These are some of the things that I would like to discuss with you this morning."

  9. Structure and Dynamics of Glycosphingolipids in Lipid Bilayers: Insights from Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Ronak Y. Patel


    Full Text Available Glycolipids are important constituents of biological membranes, and understanding their structure and dynamics in lipid bilayers provides insights into their physiological and pathological roles. Experimental techniques have provided details into their behavior at model and biological membranes; however, computer simulations are needed to gain atomic level insights. This paper summarizes the insights obtained from MD simulations into the conformational and orientational dynamics of glycosphingolipids and their exposure, hydration, and hydrogen-bonding interactions in membrane environment. The organization of glycosphingolipids in raft-like membranes and their modulation of lipid membrane structure are also reviewed.

  10. Atoms, molecules and optical physics 1. Atoms and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Hertel, Ingolf V.; Schulz, Claus-Peter


    This is the first volume of textbooks on atomic, molecular and optical physics, aiming at a comprehensive presentation of this highly productive branch of modern physics as an indispensable basis for many areas in physics and chemistry as well as in state of the art bio- and material-sciences. It primarily addresses advanced students (including PhD students), but in a number of selected subject areas the reader is lead up to the frontiers of present research. Thus even the active scientist is addressed. This volume 1 provides the canonical knowledge in atomic physics together with basics of modern spectroscopy. Starting from the fundamentals of quantum physics, the reader is familiarized in well structured chapters step by step with the most important phenomena, models and measuring techniques. The emphasis is always on the experiment and its interpretation, while the necessary theory is introduced from this perspective in a compact and occasionally somewhat heuristic manner, easy to follow even for beginners.

  11. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem. (United States)

    Humphreys, C J; Griffiths, J T; Tang, F; Oehler, F; Findlay, S D; Zheng, C; Etheridge, J; Martin, T L; Bagot, P A J; Moody, M P; Sutherland, D; Dawson, P; Schulz, S; Zhang, S; Fu, W Y; Zhu, T; Kappers, M J; Oliver, R A


    We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

  12. HRTEM investigation of phase stability in alumina–zirconia ...

    Indian Academy of Sciences (India)

    Zirconia (ZrO2), stabilized in tetragonal and cubic phases, is a technologically important material and is used for most high temperature applications. In literature, zirconia can be found to be stabilized in its high temperature phases down to room temperature via two routes, doping with divalent or trivalent cations and ...

  13. Enhanced Atomic Desorption of 209 and 210 Francium from Organic Coating. (United States)

    Agustsson, Steinn; Bianchi, Giovanni; Calabrese, Roberto; Corradi, Lorenzo; Dainelli, Antonio; Khanbekyan, Alen; Marinelli, Carmela; Mariotti, Emilio; Marmugi, Luca; Ricci, Leonardo; Stiaccini, Leonardo; Tomassetti, Luca; Vanella, Andrea


    Controlled atomic desorption from organic Poly-DiMethylSiloxane coating is demonstrated for improving the loading efficiency of (209,210)Fr magneto-optical traps. A three times increase in the cold atoms population is obtained with contact-less pulsed light-induced desorption, applied to different isotopes, either bosonic or fermionic, of Francium. A six times increase of (210)Fr population is obtained with a desorption mechanism based on direct charge transfer from a triboelectric probe to the adatom-organic coating complex. Our findings provide new insight on the microscopic mechanisms of atomic desorption from organic coatings. Our results, obtained at room temperature so as to preserve ideal vacuum conditions, represent concrete alternatives, independent from the atomic species in use, for high-efficiency laser cooling in critical conditions.

  14. The physics of atoms and quanta introduction to experiments and theory

    CERN Document Server

    Haken, Hermann; Brewer, William D


    The Physics of Atoms and Quanta is a thorough introduction to experiments and theory in this field. Every classical and modern aspect is included and discussed in detail. The new edition is completely revised, new sections on atoms in strong electric fields and high magnetic fields complete the comprehensive coverage of all topics related to atoms and quanta. All new developments, such as new experiments on quantum entanglement, the quantum computer, quantum information, the Einstein-Podolsky-Rosen paradoxon, Bell's inequality, Schrödinger's cat, decoherence, Bose-Einstein-Condensation and the atom laser are discussed. Over 170 problems and their solutions help deepen the insight in this subject area and make this book a real study text. The second and more advanced book by the same authors entitled "Molecular Physics and Elements of Quantum Chemistry" is the completion of this unique textbook.

  15. Atom Probe Tomography of Geomaterials (United States)

    Parman, S. W.; Diercks, D.; Gorman, B.; Cooper, R. F.


    From the electron microprobe to the secondary ion microprobe to laser-ablation ICP-MS, steady improvements in the spatial resolution and detection limits of geochemical micro-analysis have been central to generating new discoveries. Atom probe tomography (APT) is a relatively new technology that promises nm-scale spatial resolution (in three dimensions) with ppm level detection limits. The method is substantially different from traditional beam-based (electron, ion, laser) methods. In APT, the sample is shaped (usually with a dual-beam FIB) into a needle with typical dimensions of 1-2 μm height and 100-200 nm diameter. Within the atom probe, the needle is evaporated one atom (ideally) at a time by a high electric field (ten's of V per square nm at the needle tip). A femtosecond laser (12 ps pulse width) is used to assist in evaporating non-conducting samples. The two-dimensional detector locates where the atom was released from the needle's surface and so can reconstruct the positions of all detected atoms in three dimensions. It also records the time of flight of the ion, which is used to calculate the mass/charge ratio of the ion. We will discuss our results analyzing a range of geologic materials. In one case, naturally occurring platinum group alloys (PGA) from the Josephine Ophiolite have been imaged. Such alloys are of interest as recorders of the Os heterogeneity of the mantle [1,2]. Optimal ablation was achieved with a laser power of 120-240 pJ and laser pulse rates 500 kHz. Runs were stopped after 10 million atoms were imaged. An example analysis is: Pt 61(1), Fe 26.1(9), Rh 1.20(4), Ir 7.0(7), Ni 2.65(8), Ru 0.20(9), Cu 1.22(8), Co 0.00029(5). Values are in atomic %; values in parentheses are one-sigma standard deviations on five separate needles from the same FIB lift-out, which was 30 μm long. Assuming the sample is homogenous over the 30 μm from which the needle was extracted, the analyses suggest relative errors for major elements below 5% and for

  16. Super-Coulombic atom-atom interactions in hyperbolic media (United States)

    Cortes, Cristian L.; Jacob, Zubin


    Dipole-dipole interactions, which govern phenomena such as cooperative Lamb shifts, superradiant decay rates, Van der Waals forces and resonance energy transfer rates, are conventionally limited to the Coulombic near-field. Here we reveal a class of real-photon and virtual-photon long-range quantum electrodynamic interactions that have a singularity in media with hyperbolic dispersion. The singularity in the dipole-dipole coupling, referred to as a super-Coulombic interaction, is a result of an effective interaction distance that goes to zero in the ideal limit irrespective of the physical distance. We investigate the entire landscape of atom-atom interactions in hyperbolic media confirming the giant long-range enhancement. We also propose multiple experimental platforms to verify our predicted effect with phonon-polaritonic hexagonal boron nitride, plasmonic super-lattices and hyperbolic meta-surfaces as well. Our work paves the way for the control of cold atoms above hyperbolic meta-surfaces and the study of many-body physics with hyperbolic media.

  17. Key insights on the structural characterization of textured Er{sub 2}O{sub 3}-ZrO{sub 2} nano-oxides prepared by a surfactant-free solvothermal route

    Energy Technology Data Exchange (ETDEWEB)

    Julian-Lopez, Beatriz, E-mail: [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain); Luz, Veronica de la; Gonell, Francisco; Cordoncillo, Eloisa [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain); Lopez-Haro, Miguel; Calvino, Jose J. [Departamento de Ciencia de los Materiales e Ingenieria Metalurgica y Quimica Inorganica, Facultad de Ciencias, Universidad de Cadiz, Campus Rio San Pedro, Puerto Real, 11510 Cadiz (Spain); Escribano, Purificacion [Departamento de Quimica Inorganica y Organica, Universitat Jaume I, Avda. Vicente Sos Baynat s/n, 12071 Castellon (Spain)


    Highlights: Black-Right-Pointing-Pointer Structural resolution of fluorite vs. pyrochlore in small nanocrystals. Black-Right-Pointing-Pointer Simple template-free solvothermal synthesis of Er{sub 2}O{sub 3}-ZrO{sub 2} nanooxides. Black-Right-Pointing-Pointer Good control over size, morphology and surface properties (280 m{sup 2} g{sup -1}). - Abstract: Zirconia-mixed oxides can exhibit cubic fluorite and pyrochlore structure. Their discrimination is not easy in nanooxides with a crystal size close to that of a few unit cells. In this work, high resolution transmission electron microscopy (HRTEM) has been employed to provide key insights on the structural characterization of a nanometric and porous mixed Er{sub 2}O{sub 3}-ZrO{sub 2} oxide. The material was prepared by a simple template-free solvothermal route that provided nanocrystalline powders at low temperature (170 Degree-Sign C) with spherical morphology, and high surface area ({approx}280 m{sup 2} g{sup -1}). The porosity was mainly originated from the assembling of organic complexing agents used in the synthesis to limit the crystal growth and to control hydrolysis and condensation reaction rates. The samples were characterized by thermal analysis, X-ray diffraction, scanning electron microscopy and N{sub 2} adsorption measurements. A detailed study by HRTEM was conducted on microtomed samples. It was observed that the material was made of nanocrystals packed into spherical agglomerates. HRTEM simulations indicated that it is not possible to identify the pyrochlore phase in nanoparticles with diameter below 2 nm. In our samples, the analysis of the HRTEM lattice images by means of fast Fourier transform (FFT) techniques revealed well defined spots that can be assigned to different planes of a cubic fluorite-type phase, even in the raw material. Raman spectroscopy was also a powerful technique to elucidate the crystalline phase of the materials with the smallest nanoparticles. HREM and Raman results evidenced

  18. O insight em psiquiatria

    Directory of Open Access Journals (Sweden)

    Ana Margarida P. Cardoso


    Full Text Available O sinal de que algo está a acontecer contribui para que o paciente reconheça que alguma coisa de estranho se está a passar consigo. Este reconhecimento faz com que o sujeito possa desempenhar uma função activa e seja um elemento colaborante do seu processo de recuperação. Cada doença apresenta, contudo, diferentes sintomas, uma vez que cada doença psiquiátrica consiste em diferentes perturbações com diversos efeitos sobre o funcionamento mental. Desta maneira, o fenómeno do insight que é registado em cada doença é diferente e expressa-se sob diferentes formas, não somente devido às manifestações clínicas da doença mas também devido às características individuais do sujeito.

  19. Grigor Narekatsi's astronomical insights (United States)

    Poghosyan, Samvel


    What stand out in the solid system of Gr. Narekatsi's naturalistic views are his astronomical insights on the material nature of light, its high speed and the Sun being composed of "material air". Especially surprising and fascinating are his views on stars and their clusters. What astronomers, including great Armenian academician V. Ambartsumian (scattering of stellar associations), would understand and prove with much difficulty thousand years later, Narekatsi predicted in the 10th century: "Stars appear and disappear untimely", "You who gather and scatter the speechless constellations, like a flock of sheep". Gr. Narekatsti's reformative views were manifested in all the spheres of the 10th century social life; he is a reformer of church life, great language constructor, innovator in literature and music, freethinker in philosophy and science. His ideology is the reflection of the 10th century Armenian Renaissance. During the 9th-10th centuries, great masses of Armenians, forced to migrate to the Balkans, took with them and spread reformative ideas. The forefather of the western science, which originated in the period of Reformation, is considered to be the great philosopher Nicholas of Cusa. The study of Gr. Narekatsti's logic and naturalistic views enables us to claim that Gr. Narekatsti is the great grandfather of European science.

  20. Atomic Covalent Functionalization of Graphene (United States)

    Johns, James E.; Hersam, Mark C.


    Conspectus Although graphene’s physical structure is a single atom thick, two-dimensional, hexagonal crystal of sp2 bonded carbon, this simple description belies the myriad interesting and complex physical properties attributed to this fascinating material. Because of its unusual electronic structure and superlative properties, graphene serves as a leading candidate for many next generation technologies including high frequency electronics, broadband photodetectors, biological and gas sensors, and transparent conductive coatings. Despite this promise, researchers could apply graphene more routinely in real-world technologies if they could chemically adjust graphene’s electronic properties. For example, the covalent modification of graphene to create a band gap comparable to silicon (~1 eV) would enable its use in digital electronics, and larger band gaps would provide new opportunities for graphene-based photonics. Towards this end, researchers have focused considerable effort on the chemical functionalization of graphene. Due to its high thermodynamic stability and chemical inertness, new methods and techniques are required to create covalent bonds without promoting undesirable side reactions or irreversible damage to the underlying carbon lattice. In this Account, we review and discuss recent theoretical and experimental work studying covalent modifications to graphene using gas phase atomic radicals. Atomic radicals have sufficient energy to overcome the kinetic and thermodynamic barriers associated with covalent reactions on the basal plane of graphene but lack the energy required to break the C-C sigma bonds that would destroy the carbon lattice. Furthermore, because they are atomic species, radicals substantially reduce the likelihood of unwanted side reactions that confound other covalent chemistries. Overall, these methods based on atomic radicals show promise for the homogeneous functionalization of graphene and the production of new classes of two

  1. Remote atom entanglement in a fiber-connected three-atom system


    Yan-Qing, Guo; Jing, Chen; He-Shan, Song


    An Ising-type atom-atom interaction is obtained in a fiber-connected three-atom system. The interaction is effective when $\\Delta\\approx \\gamma _{0}\\gg g$. The preparations of remote two-atom and three-atom entanglement governed by this interaction are discussed in specific parameters region. The overall two-atom entanglement is very small because of the existence of the third atom. However, the three-atom entanglement can reach a maximum very close to 1.

  2. Atomizer

    DEFF Research Database (Denmark)

    Fixed stereo electroacoustic music, included in Robert Voisey’s (Curator) VoxNovus 60×60 Dance, 60×60 2010 International Mix and 60×60 Sanguine Mix projects. Performed internationally, including Stratford Circus, London, UK. Full performance listings and press available online....

  3. Cooper pairs in atomic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Pittel, S. [Bartol Research Institute and Department of Physics and Astronomy, University of Delaware, Newark, 19716 Delaware (United States); Dussel, G. G. [Departamento de Fisica J.J. Giambiagi, Universidad de Buenos Aires, 1428 Buenos Aires (Argentina); Dukelsky, J.; Sarriguren, P. [Instituto de Estructura de la Materia, CSIC, Serrano 123, 28006 Madrid (Spain)


    We describe recent efforts to study Cooper pairs in atomic nuclei. We consider a self-consistent Hartree Fock mean field for the even Sm isotopes and compare results based on three treatments of pairing correlations: a BCS treatment, a number-projected BCS treatment and an exact treatment using the Richardson Ansatz. Significant differences are seen in the pairing correlation energies. Furthermore, because it does not average over the properties of the fermion pairs, the Richardson solution permits a more meaningful definition of the Cooper wave function and of the fraction of pairs that are collective. Our results confirm that only a few pairs near the Fermi surface in realistic atomic nuclei are collective. (Author)

  4. Helium atom scattering from surfaces

    CERN Document Server


    High resolution helium atom scattering can be applied to study a number of interesting properties of solid surfaces with great sensitivity and accuracy. This book treats in detail experimental and theoretical aspects ofthis method as well as all current applications in surface science. The individual chapters - all written by experts in the field - are devoted to the investigation of surface structure, defect shapes and concentrations, the interaction potential, collective and localized surface vibrations at low energies, phase transitions and surface diffusion. Over the past decade helium atom scattering has gained widespread recognitionwithin the surface science community. Points in its favour are comprehensiveunderstanding of the scattering theory and the availability of well-tested approximation to the rigorous theory. This book will be invaluable to surface scientists wishing to make an informed judgement on the actual and potential capabilities of this technique and its results.

  5. The Future of Atomic Energy (United States)

    Fermi, E.


    There is definitely a technical possibility that atomic power may gradually develop into one of the principal sources of useful power. If this expectation will prove correct, great advantages can be expected to come from the fact that the weight of the fuel is almost negligible. This feature may be particularly valuable for making power available to regions of difficult access and far from deposits of coal. It also may prove a great asset in mobile power units for example in a power plant for ship propulsion. On the negative side there are some technical limitations to be applicability of atomic power of which perhaps the most serious is the impossibility of constructing light power units; also there will be some peculiar difficulties in operating atomic plants, as for example the necessity of handling highly radioactive substances which will necessitate, at least for some considerable period, the use of specially skilled personnel for the operation. But the chief obstacle in the way of developing atomic power will be the difficulty of organizing a large scale industrial development in an internationally safe way. This presents actually problems much more difficult to solve than any of the technical developments that are necessary, It will require an unusual amount of statesmanship to balance properly the necessity of allaying the international suspicion that arises from withholding technical secrets against the obvious danger of dumping the details of the procedures for an extremely dangerous new method of warfare on a world that may not yet be prepared to renounce war. Furthermore, the proper balance should be found in the relatively short time that will elapse before the 'secrets' will naturally become open knowledge by rediscovery on part of the scientists and engineers of other countries.

  6. Quantum state atomic force microscopy


    Passian, Ali; Siopsis, George


    New classical modalities of atomic force microscopy continue to emerge to achieve higher spatial, spectral, and temporal resolution for nanometrology of materials. Here, we introduce the concept of a quantum mechanical modality that capitalizes on squeezed states of probe displacement. We show that such squeezing is enabled nanomechanically when the probe enters the van der Waals regime of interaction with a sample. The effect is studied in the non-contact mode, where we consider the paramete...

  7. Laser Cooling of Neutral Atoms. (United States)


    wave monochromatic field interactint, with the atomic beam, the above assumption is justified. If the external field is a standing wave, and the atomo ...Substitute for the time derivatives using Schrodingers wave equation and perform some algebra to obtain, Integrate over the second term by parts twice...exponents into sin’s and cos’s. Calculating the indicated magnitude is tedious but straightforward. The real and imaginary parts of the equation are squared

  8. Optimization of Neutral Atom Imagers (United States)

    Shappirio, M.; Coplan, M.; Balsamo, E.; Chornay, D.; Collier, M.; Hughes, P.; Keller, J.; Ogilvie, K.; Williams, E.


    The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.

  9. Plasmonic atoms and plasmonic molecules


    V. V. Klimov; Guzatov, D. V.


    The proposed paradigm of plasmonic atoms and plasmonic molecules allows one to describe and predict the strongly localized plasmonic oscillations in the clusters of nanoparticles and some other nanostructures in uniform way. Strongly localized plasmonic molecules near the contacting surfaces might become the fundamental elements (by analogy with Lego bricks) for a construction of fully integrated opto-electronic nanodevices of any complexity and scale of integration.

  10. Stochastic models for atomic clocks (United States)

    Barnes, J. A.; Jones, R. H.; Tryon, P. V.; Allan, D. W.


    For the atomic clocks used in the National Bureau of Standards Time Scales, an adequate model is the superposition of white FM, random walk FM, and linear frequency drift for times longer than about one minute. The model was tested on several clocks using maximum likelihood techniques for parameter estimation and the residuals were acceptably random. Conventional diagnostics indicate that additional model elements contribute no significant improvement to the model even at the expense of the added model complexity.

  11. Empirical atom model of Vegard's law (United States)

    Zhang, Lei; Li, Shichun


    Vegard's law seldom holds true for most binary continuous solid solutions. When two components form a solid solution, the atom radii of component elements will change to satisfy the continuity requirement of electron density at the interface between component atom A and atom B so that the atom with larger electron density will expand and the atom with the smaller one will contract. If the expansion and contraction of the atomic radii of A and B respectively are equal in magnitude, Vegard's law will hold true. However, the expansion and contraction of two component atoms are not equal in most situations. The magnitude of the variation will depend on the cohesive energy of corresponding element crystals. An empirical atom model of Vegard's law has been proposed to account for signs of deviations according to the electron density at Wigner-Seitz cell from Thomas-Fermi-Dirac-Cheng model.

  12. "Electronium": A Quantum Atomic Teaching Model. (United States)

    Budde, Marion; Niedderer, Hans; Scott, Philip; Leach, John


    Outlines an alternative atomic model to the probability model, the descriptive quantum atomic model Electronium. Discusses the way in which it is intended to support students in learning quantum-mechanical concepts. (Author/MM)

  13. Atomic clock ensemble in space (United States)

    Cacciapuoti, L.; Salomon, C.


    Atomic Clock Ensemble in Space (ACES) is a mission using high-performance clocks and links to test fundamental laws of physics in space. Operated in the microgravity environment of the International Space Station, the ACES clocks, PHARAO and SHM, will generate a frequency reference reaching instability and inaccuracy at the 1 · 10-16 level. A link in the microwave domain (MWL) and an optical link (ELT) will make the ACES clock signal available to ground laboratories equipped with atomic clocks. Space-to-ground and ground-to-ground comparisons of atomic frequency standards will be used to test Einstein's theory of general relativity including a precision measurement of the gravitational red-shift, a search for time variations of fundamental constants, and Lorentz Invariance tests. Applications in geodesy, optical time transfer, and ranging will also be supported. ACES has now reached an advanced technology maturity, with engineering models completed and successfully tested and flight hardware under development. This paper presents the ACES mission concept and the status of its main instruments.

  14. Dynamics in atomic signaling games

    KAUST Repository

    Fox, Michael J.


    We study an atomic signaling game under stochastic evolutionary dynamics. There are a finite number of players who repeatedly update from a finite number of available languages/signaling strategies. Players imitate the most fit agents with high probability or mutate with low probability. We analyze the long-run distribution of states and show that, for sufficiently small mutation probability, its support is limited to efficient communication systems. We find that this behavior is insensitive to the particular choice of evolutionary dynamic, a property that is due to the game having a potential structure with a potential function corresponding to average fitness. Consequently, the model supports conclusions similar to those found in the literature on language competition. That is, we show that efficient languages eventually predominate the society while reproducing the empirical phenomenon of linguistic drift. The emergence of efficiency in the atomic case can be contrasted with results for non-atomic signaling games that establish the non-negligible possibility of convergence, under replicator dynamics, to states of unbounded efficiency loss.

  15. Atom-specific surface magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Sirotti, F.; Panaccione, G. [Laboratoire pour l`Utilisation du Rayonnement Electromagnetique, Centre National de la Recherche Scientifique, Commissariat a l`Energie Atomique, MESR, F-91405 Orsay (France); Rossi, G. [Laboratorium fuer Festkoerperphysik, Eidgenossische Technische Hochschule-Zuerich, Zuerich CH-8093 (Switzerland)


    A powerful atom-specific surface magnetometry can be based on efficient measurements of magnetic dichroism in {ital l}{gt}0 core level photoemission. The temperature dependence M({ital T}) of the Fe(100) surface magnetization was obtained from the photoemission magnetic asymmetry of 3{ital p} core levels, providing the measure of the surface exchange coupling via the spin-wave stiffness and of the surface critical exponent. Beyond the magnetic order {l_angle}M{r_angle} the photoemission dichroism allows us to derive the energy splitting of the magnetic sublevels of the photoexcited core hole. Fe 3{ital p} photoemission dichroism probes directly the magnetic moment changes of iron atoms at Fe(100) surfaces as a function of structural disorder or sulfur segregation. The appearance of dichroism in the 2{ital p} photoemission of segregated sulfur atoms in the {ital c}(2{times}2)S/Fe(100) superstructure measures the magnetic-moment transfer and shows the possibility of investigating surface magnetochemistry in a very direct way.

  16. Dynamics in atomic signaling games. (United States)

    Fox, Michael J; Touri, Behrouz; Shamma, Jeff S


    We study an atomic signaling game under stochastic evolutionary dynamics. There are a finite number of players who repeatedly update from a finite number of available languages/signaling strategies. Players imitate the most fit agents with high probability or mutate with low probability. We analyze the long-run distribution of states and show that, for sufficiently small mutation probability, its support is limited to efficient communication systems. We find that this behavior is insensitive to the particular choice of evolutionary dynamic, a property that is due to the game having a potential structure with a potential function corresponding to average fitness. Consequently, the model supports conclusions similar to those found in the literature on language competition. That is, we show that efficient languages eventually predominate the society while reproducing the empirical phenomenon of linguistic drift. The emergence of efficiency in the atomic case can be contrasted with results for non-atomic signaling games that establish the non-negligible possibility of convergence, under replicator dynamics, to states of unbounded efficiency loss. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Understanding the physics and chemistry of reaction mechanisms from atomic contributions: a reaction force perspective. (United States)

    Vöhringer-Martinez, Esteban; Toro-Labbé, Alejandro


    Studying chemical reactions involves the knowledge of the reaction mechanism. Despite activation barriers describing the kinetics or reaction energies reflecting thermodynamic aspects, identifying the underlying physics and chemistry along the reaction path contributes essentially to the overall understanding of reaction mechanisms, especially for catalysis. In the past years the reaction force has evolved as a valuable tool to discern between structural changes and electrons' rearrangement in chemical reactions. It provides a framework to analyze chemical reactions and additionally a rational partition of activation and reaction energies. Here, we propose to separate these energies further in atomic contributions, which will shed new insights in the underlying reaction mechanism. As first case studies we analyze two intramolecular proton transfer reactions. Despite the atom based separation of activation barriers and reaction energies, we also assign the participation of each atom in structural changes or electrons' rearrangement along the intrinsic reaction coordinate. These participations allow us to identify the role of each atom in the two reactions and therfore the underlying chemistry. The knowledge of the reaction chemistry immediately leads us to suggest replacements with other atom types that would facilitate certain processes in the reaction. The characterization of the contribution of each atom to the reaction energetics, additionally, identifies the reactive center of a molecular system that unites the main atoms contributing to the potential energy change along the reaction path.

  18. Electron Cryomicroscopy of Viruses at Near-Atomic Resolutions. (United States)

    Kaelber, Jason T; Hryc, Corey F; Chiu, Wah


    Recently, dozens of virus structures have been solved to resolutions between 2.5 and 5.0 Å by means of electron cryomicroscopy. With these structures we are now firmly within the "atomic age" of electron cryomicroscopy, as these studies can reveal atomic details of protein and nucleic acid topology and interactions between specific residues. This improvement in resolution has been the result of direct electron detectors and image processing advances. Although enforcing symmetry facilitates reaching near-atomic resolution with fewer particle images, it unfortunately obscures some biologically interesting components of a virus. New approaches on relaxing symmetry and exploring structure dynamics and heterogeneity of viral assemblies have revealed important insights into genome packaging, virion assembly, cell entry, and other stages of the viral life cycle. In the future, novel methods will be required to reveal yet-unknown structural conformations of viruses, relevant to their biological activities. Ultimately, these results hold the promise of answering many unresolved questions linking structural diversity of viruses to their biological functions.

  19. Inner Space: The Structure of the Atom

    Energy Technology Data Exchange (ETDEWEB)

    Glasstone, Samuel


    The atom is now regarded as the smallest possible particle of an element that retains the identity of that element. The atoms of an element determine the characteristics of that particular element. One of the purposes of this booklet is to explain how the atoms of various elements differ from one another.

  20. Gain narrowing in few-atom systems

    NARCIS (Netherlands)

    Savels, T.; Savels, Tom; Mosk, Allard; Lagendijk, Aart


    Using a density matrix approach, we study the simplest systems that display both gain and feedback: clusters of 2 to 5 atoms, one of which is pumped. The other atoms supply feedback through multiple scattering of light. We show that, if the atoms are in each other's near field, the system exhibits

  1. Laser Control of Atoms and Molecules

    CERN Document Server

    Letkhov, V S


    This text treats laser light as a universal tool to control matter at the atomic and molecular level, one of the most exciting applications of lasers. Lasers can heat matter, cool atoms to ultra-low temperatures where they show quantum collective behaviour, and can act selectively on specific atoms and molecules for their detection and separation.

  2. Atoms – How Small, and How Large!

    Indian Academy of Sciences (India)

    IAS Admin

    Introduction. −Richard Feynman. Famous physicist Feynman's quote highlighting the atomic concept as an important achievement of mankind, has come nearly ... philosophy to science. How small are atoms actually? Niels Bohr in his atomic model (1913) answered this question by assigning a radius a0 (= 0.529Å) to the.

  3. Atomic Delegation: Object-Oriented Transactions

    NARCIS (Netherlands)

    Aksit, Mehmet; Dijkstra, J.W.; Dijkstra, Jan Willem; Tripathi, Anand

    Atomic delegation, an object-oriented linguistic mechanism that allows the creation of dynamically defined classes of atomic actions is presented. When a type is modified, atomic delegation updates functionalities of the the types that delegate to the modified type. This mechanism permits dynamic

  4. Quantum-chemical insights from deep tensor neural networks (United States)

    Schütt, Kristof T.; Arbabzadah, Farhad; Chmiela, Stefan; Müller, Klaus R.; Tkatchenko, Alexandre


    Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum many-body systems? Here we develop an efficient deep learning approach that enables spatially and chemically resolved insights into quantum-mechanical observables of molecular systems. We unify concepts from many-body Hamiltonians with purpose-designed deep tensor neural networks, which leads to size-extensive and uniformly accurate (1 kcal mol-1) predictions in compositional and configurational chemical space for molecules of intermediate size. As an example of chemical relevance, the model reveals a classification of aromatic rings with respect to their stability. Further applications of our model for predicting atomic energies and local chemical potentials in molecules, reliable isomer energies, and molecules with peculiar electronic structure demonstrate the potential of machine learning for revealing insights into complex quantum-chemical systems.

  5. On the treatment of ℓ-changing proton-hydrogen Rydberg atom collisions (United States)

    Vrinceanu, D.; Onofrio, R.; Sadeghpour, H. R.


    Energy-conserving, angular momentum changing collisions between protons and highly excited Rydberg hydrogen atoms are important for precise understanding of atomic recombination at the photon decoupling era and the elemental abundance after primordial nucleosynthesis. Early approaches to ℓ-changing collisions used perturbation theory only for dipole-allowed (Δℓ = ±1) transitions. An exact non-perturbative quantum mechanical treatment is possible, but it comes at a computational cost for highly excited Rydberg states. In this paper, we show how to obtain a semiclassical limit that is accurate and simple, and develop further physical insights afforded by the non-perturbative quantum mechanical treatment.

  6. Clarifying Atomic Weights: A 2016 Four-Figure Table of Standard and Conventional Atomic Weights (United States)

    Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.


    To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron,…

  7. Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2 (United States)

    Wu, Maokun; Yao, Xiaolong; Hao, Yuan; Dong, Hong; Cheng, Yahui; Liu, Hui; Lu, Feng; Wang, Weichao; Cho, Kyeongjae; Wang, Wei-Hua


    Utilizing first-principles calculations, the electronic structures, magnetic properties and band alignments of monolayer MoS2 doped by 3d transition metal atoms have been investigated. It is found that in V, Cr, Mn, Fe-doped monolayers, the nearest neighboring S atoms (SNN) are antiferromagnetically polarized with the doped atoms. While in Co, Ni, Cu, Zn-doped systems, the SNN are ferromagnetically coupled with the doped atoms. Moreover, the nearest neighboring Mo atoms also demonstrate spin polarization. Compared with pristine monolayer MoS2, little change is found for the band edges' positions in the doped systems. The Fermi level is located in the spin-polarized impurity bands, implying a half-metallic state. These results provide fundamental insights for doped monolayer MoS2 applying in spintronic, optoelectronic and electronic devices.

  8. Optical lattice on an atom chip

    DEFF Research Database (Denmark)

    Gallego, D.; Hofferberth, S.; Schumm, Thorsten


    Optical dipole traps and atom chips are two very powerful tools for the quantum manipulation of neutral atoms. We demonstrate that both methods can be combined by creating an optical lattice potential on an atom chip. A red-detuned laser beam is retroreflected using the atom chip surface as a high......-quality mirror, generating a vertical array of purely optical oblate traps. We transfer thermal atoms from the chip into the lattice and observe cooling into the two-dimensional regime. Using a chip-generated Bose-Einstein condensate, we demonstrate coherent Bloch oscillations in the lattice....

  9. Storage of Quantum Variables in Atomic Media

    DEFF Research Database (Denmark)

    Cviklinski, J.; Ortalo, J.; Josse, V.


    Storage and read-out of non classical states of light is a critical element for quantum information networks. Simultaneous storage of two non-commuting variables carried by light and subsequent read-out is shown to be possible in atomic ensembles. Interaction of light fields with three......-level systems allows direct mapping the quantum state of light into long lived coherences in the atomic ground state. We show that excess noise linked to atomic transitions can be made negligible. Experimental developments are discussed for atomic vapours and cold atoms....

  10. Fast metastable hydrogen atoms from H2 molecules: twin atoms

    Directory of Open Access Journals (Sweden)

    Trimèche A.


    Full Text Available It is a difficult task to obtain “twin atoms”, i.e. pairs of massive particles such that one can perform experiments in the same fashion that is routinely done with “twin photons”. One possible route to obtain such pairs is by dissociating homonuclear diatomic molecules. We address this possibility by investigating the production of metastable H(2s atoms coming from the dissociation of cold H2 molecules produced in a Campargue nozzle beam crossing an electron beam from a high intensity pulsed electron gun. Dissociation by electron impact was chosen to avoid limitations of target molecular excited states due to selection rules. Detectors placed several centimeters away from the collision center, and aligned with respect to possible common molecular dissociation channel, analyze the neutral fragments as a function of their time-of-flight (TOF through Lyman-α detection. Evidence for the first time observed coincidence of pairs of H(2s atoms obtained this way is presented.

  11. Scanning Quantum Cryogenic Atom Microscope (United States)

    Yang, Fan; Kollár, Alicia J.; Taylor, Stephen F.; Turner, Richard W.; Lev, Benjamin L.


    Microscopic imaging of local magnetic fields provides a window into the organizing principles of complex and technologically relevant condensed-matter materials. However, a wide variety of intriguing strongly correlated and topologically nontrivial materials exhibit poorly understood phenomena outside the detection capability of state-of-the-art high-sensitivity high-resolution scanning probe magnetometers. We introduce a quantum-noise-limited scanning probe magnetometer that can operate from room-to-cryogenic temperatures with unprecedented dc-field sensitivity and micron-scale resolution. The Scanning Quantum Cryogenic Atom Microscope (SQCRAMscope) employs a magnetically levitated atomic Bose-Einstein condensate (BEC), thereby providing immunity to conductive and blackbody radiative heating. The SQCRAMscope has a field sensitivity of 1.4 nT per resolution-limited point (approximately 2 μ m ) or 6 nT /√{Hz } per point at its duty cycle. Compared to point-by-point sensors, the long length of the BEC provides a naturally parallel measurement, allowing one to measure nearly 100 points with an effective field sensitivity of 600 pT /√{Hz } for each point during the same time as a point-by-point scanner measures these points sequentially. Moreover, it has a noise floor of 300 pT and provides nearly 2 orders of magnitude improvement in magnetic flux sensitivity (down to 10-6 Φ0/√{Hz } ) over previous atomic probe magnetometers capable of scanning near samples. These capabilities are carefully benchmarked by imaging magnetic fields arising from microfabricated wire patterns in a system where samples may be scanned, cryogenically cooled, and easily exchanged. We anticipate the SQCRAMscope will provide charge-transport images at temperatures from room temperature to 4 K in unconventional superconductors and topologically nontrivial materials.

  12. Resonant interaction modified by the atomic environment

    Energy Technology Data Exchange (ETDEWEB)

    Sainz, I; Klimov, A B; Chumakov, S M [Departamento de Fisica, Universidad de Guadalajara, Revolucion 1500, 44410, Guadalajara, Jal. (Mexico)


    The dynamics of a resonant atom interacting with a quantum cavity field in the presence of many off-resonant atoms is studied. In the framework of the effective Hamiltonian approach we show that the results of elimination of non-resonant transitions are (a) a dynamical Stark shift of the field frequency, dependent on the populations of non-resonant atoms, (b) dependence of the coupling constant between the resonant atom and the field on the populations of non-resonant atoms, and (c) an effective dipole-dipole interaction between non-resonant atoms. Two effects (the coherent influence and dephasing) of the off-resonant environment on the dynamics of the resonant atom are discussed.

  13. Periodic systems of N-atom molecules (United States)

    Hefferlin, R. A.; Zhuvikin, G. V.; Caviness, K. E.; Duerksen, P. J.


    The atoms have long been classified into a periodic system, which is now based on quantum mechanics and group theory. A classification of molecules containing any number (N) of atoms is proposed. It is an extension of the periodic system of the atoms. The approach in this paper is that of group theory, although the proposed system has been subjected to exhaustive comparison with experimental and ab initio computational results for diatomic molecules, and conforms to the commonly known behaviors of molecules with larger N. Orthonormal transformations are performed so that the molecules can be arranged according to their numbers of electrons and to the differences of atomic numbers of the constituent atoms. These arrangements parallel the physical reality of atomic bonding and permit partial three-dimensional models of the systems to be constructed for molecules with as many as four atoms.

  14. Ohm's law survives to the atomic scale. (United States)

    Weber, B; Mahapatra, S; Ryu, H; Lee, S; Fuhrer, A; Reusch, T C G; Thompson, D L; Lee, W C T; Klimeck, G; Hollenberg, L C L; Simmons, M Y


    As silicon electronics approaches the atomic scale, interconnects and circuitry become comparable in size to the active device components. Maintaining low electrical resistivity at this scale is challenging because of the presence of confining surfaces and interfaces. We report on the fabrication of wires in silicon--only one atom tall and four atoms wide--with exceptionally low resistivity (~0.3 milliohm-centimeters) and the current-carrying capabilities of copper. By embedding phosphorus atoms within a silicon crystal with an average spacing of less than 1 nanometer, we achieved a diameter-independent resistivity, which demonstrates ohmic scaling to the atomic limit. Atomistic tight-binding calculations confirm the metallicity of these atomic-scale wires, which pave the way for single-atom device architectures for both classical and quantum information processing.

  15. Knowledge Extraction from Atomically Resolved Images. (United States)

    Vlcek, Lukas; Maksov, Artem; Pan, Minghu; Vasudevan, Rama K; Kalinin, Sergei V


    Tremendous strides in experimental capabilities of scanning transmission electron microscopy and scanning tunneling microscopy (STM) over the past 30 years made atomically resolved imaging routine. However, consistent integration and use of atomically resolved data with generative models is unavailable, so information on local thermodynamics and other microscopic driving forces encoded in the observed atomic configurations remains hidden. Here, we present a framework based on statistical distance minimization to consistently utilize the information available from atomic configurations obtained from an atomically resolved image and extract meaningful physical interaction parameters. We illustrate the applicability of the framework on an STM image of a FeSe x Te 1-x superconductor, with the segregation of the chalcogen atoms investigated using a nonideal interacting solid solution model. This universal method makes full use of the microscopic degrees of freedom sampled in an atomically resolved image and can be extended via Bayesian inference toward unbiased model selection with uncertainty quantification.

  16. Precision spectroscopy on atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Parthey, Christian Godehard


    This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as {delta}{integral}{sub exp}=670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, {delta}{integral}{sub th}=670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r{sup 2} right angle {sub d}- left angle r{sup 2} right angle {sub p}=3.82007(65) fm{sup 2} and the deuteron structure radius r{sub str}=1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be {integral}{sub 1S-2S}=2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10{sup -15}. The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of {integral}{sub 1S-2S}=2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c{sub (TX)}-0.29c{sub (TY)}-0.08 c{sub (TZ)}=(2.2{+-}1.8) x 10{sup -11} within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level ({partial_derivative})/({partial_derivative}t)ln ({mu}{sub Cs})/({mu}{sub B})=-(3.0{+-}1.2) x 10{sup -15} yr{sup -1}.

  17. Atomic valence in molecular systems (United States)

    Bochicchio, R. C.; Lain, L.; Torre, A.


    Atomic valence in molecular systems is described as a partitioning of the hole distribution, the complementary part of the particle distribution. In this scheme, valence splits into three contributions, related to electron spin density, nonuniform occupancy of orbitals (nonpairing terms) and exchange density (pairing terms), respectively, and whose importance depends on the nature of the state of the system. Calculations carried out for correlated CI and Hartree-Fock state functions in both Mulliken and topological AIM type partitionings as well as theoretical results show the suitability of this formulation for describing valence concepts.

  18. Solving atomic structures using statistical mechanical searches on x-ray scattering derived potential energy surfaces (United States)

    Wright, Christopher James

    Engineering the next generation of materials, especially nanomaterials, requires a detailed understanding of the material's underlying atomic structure. These structures give us better insight into structure-property relationships, allowing for property driven material design on the atomic level. Even more importantly, understanding structures in-situ will translate stimuli and responses on the macroscopic scale to changes on the nanoscale. Despite the importance of precise atomic structures for materials design, solving atomic structures is difficult both experimentally and computationally. Atomic pair distribution functions (PDFs) provide information on atomic structure, but the difficulty of extracting the PDF from x-ray total scattering measurements limits their use. Translating the PDF into an atomic structure requires the search of a very high dimensional space, the set of all potential atomic configurations. The large computational cost of running these simulations also limits the use of PDF as an atomistic probe. This work aims to address these issues by developing 1) novel statistical mechanical approaches to solving material structures, 2) fast simulation of x-ray total scattering and atomic pair distribution functions (PDFs), and 3) data processing procedures for experimental x-ray total scattering measurements. First, experimentally derived potential energy surfaces (PES) and the statistical mechanical ensembles used to search them are developed. Then the mathematical and computational framework for the PDF and its gradients will be discussed. The combined PDF-PES-ensemble system will be benchmarked against a series of nanoparticle structures to ascertain the efficiency and effectiveness of the system. Experimental data processing procedures, which maximize the usable data, will be presented. Finally, preliminary results from experimental x-ray total scattering measurements will be discussed. This work presents one of the most complete end

  19. Multi-million atom electronic structure calculations for quantum dots (United States)

    Usman, Muhammad

    stark shift, coherent coupling of electronic states in a quantum dot molecule etc.; (3) to assess the potential use of the quantum dots in real device implementation and to provide physical insight to the experimentalists. Full three dimensional strain and electronic structure simulations of quantum dot structures containing multi-million atoms are done using NEMO 3-D. Both single and vertically stacked quantum dot structures are analyzed in detail. The results show that the strain and the piezoelectricity significantly impact the electronic structure of these devices. This work shows that the InAs quantum dots when placed in the InGaAs quantum well red shifts the emission wavelength. Such InAs/GaAs-based optical devices can be used for optical-fiber based communication systems at longer wavelengths (1.3um -- 1.5um). Our atomistic simulations of InAs/InGaAs/GaAs quantum dots quantitatively match with the experiment and give the critical insight of the physics involved in these structures. A single quantum dot molecule is studied for coherent quantum coupling of electronic states under the influence of static electric field applied in the growth direction. Such nanostructures can be used in the implementation of quantum information technologies. A close quantitative match with the experimental optical measurements allowed us to get a physical insight into the complex physics of quantum tunnel couplings of electronic states as the device operation switches between atomic and molecular regimes. Another important aspect is to design the quantum dots for a desired isotropic polarization of the optical emissions. Both single and coupled quantum dots are studied for TE/TM ratio engineering. The atomistic study provides a detailed physical analysis of these computationally expensive large nanostructures and serves as a guide for the experimentalists for the design of the polarization independent devices for the optical communication systems.

  20. Atoms, molecules and optical physics

    CERN Document Server

    Hertel, Ingolf V


    This is the first volume of textbooks on atomic, molecular and optical physics, aiming at a comprehensive presentation of this highly productive branch of modern physics as an indispensable basis for many areas in physics and chemistry as well as in state of the art bio- and material-sciences. It primarily addresses advanced students (including PhD students), but in a number of selected subject areas the reader is lead up to the frontiers of present research. Thus even the active scientist is addressed. This volume 1 provides the canonical knowledge in atomic physics together with basics of modern spectroscopy. Starting from the fundamentals of quantum physics, the reader is familiarized in well structured chapters step by step with the most important phenomena, models and measuring techniques. The emphasis is always on the experiment and its interpretation, while the necessary theory is introduced from this perspective in a compact and occasionally somewhat heuristic manner, easy to follow even for beginner...

  1. Atomic inner-shell transitions (United States)

    Crasemann, B.; Chen, M. H.; Mark, H.


    Atomic inner-shell processes have quite different characteristics, in several important aspects, from processes in the optical regime. Energies are large, e.g., the 1s binding energy reaches 100 keV at Z = 87; relativistic and quantum-electrodynamic effects therefore are strong. Radiationless transitions vastly dominate over photon emission in most cases. Isolated inner-shell vacancies have pronounced single-particle character, with correlations generally contributing only approximately 1 eV to the 1s and 2p binding energies; the structure of such systems is thus well tractable by independent-particle self-consistent-field atomic models. For systems containing multiple deep inner-shell vacancies, or for highly stripped ions, the importance of relativistic intermediate coupling and configuration interaction becomes pronounced. Cancellation of the Coulomb interaction can lead to strong manifestations of the Breit interaction in such phenomena as multiplet splitting and hypersatellite X-ray shifts. Unique opportunities arise for the test of theory.

  2. Atomic coordination reflects peptide immunogenicity

    Directory of Open Access Journals (Sweden)

    Georgios S.E. Antipas


    Full Text Available We demonstrated that the immunological identity of variant peptides may be accurately predicted on the basis of atomic coordination of both unprotonated and protonated tertiary structures, provided that the structure of the native peptide (index is known. The metric which was discovered to account for this discrimination is the coordination difference between the variant and the index; we also showed that increasing coordination difference in respect to the index was correlated to a correspondingly weakening immunological outcome of the variant. Additionally, we established that this metric quickly seizes to operate beyond the peptide scale, e.g. over a coordination shell inclusive of atoms up to a distance of 7 Å away from the peptide or over the entire pMHC-TCR complex. Analysis of molecular orbital interactions over a range of formal charges further revealed that the N-terminus of the agonists was always able to sustain a stable ammonium (NH3+ group which was consistently absent in antagonists. We deem that the presence of NH3+ constitutes a secondary observable with a biological consequence, signifying a change in T cell activation. While our analysis of protonated structures relied on the quantum chemical relaxation of the H species, the results were consistent over a wide range of peptide charge and spin polarization conditions.

  3. Deterministic Single Atom STM Tip Technology for Atomically Precise Manufacturing (United States)

    Ballard, Joshua; Alexander, Justin; Radocea, Adrian; Bischof, Maia; Jaeger, David; Randall, John; Gorman, Brian; von Ehr, Jim; Reidy, Rick


    Deterministic tip fabrication for Scanning Tunneling Microscopy (STM) has long been an elusive goal, where the primary method of tip preparation usually includes significant ``tip conditioning'' once the tip has been incorporated into the STM. We have developed a process for generating reproducible single atom tips (SATs) with a small radius of curvature (r.o.c.) of less than 10nm. First, W(111) or W(110) tips are sputter sharpened using a self-limiting process to yield with r.o.c. of SAT is formed. Transmission Electron Microscopy is used to verify that after field evaporation the r.o.c. remains small. Correlations between FIM and tip performance in STM are determined, and long term STM stability is discussed.

  4. Ionomer Dynamics: Insights from Broadband Dielectric Spectroscopy (United States)

    Runt, James


    Ionomers (polymers containing ionic functionality) have been traditionally used as packaging materials and in molding applications, and are now of increasing interest as candidate single ion conductors for energy storage devices, in energy conversion, and for other electroactive materials applications. The focus of this presentation is on the insight that broadband dielectric (impedance) spectroscopy brings to our understanding of ion and polymer dynamics of this family of materials. As an example of our recent work on relatively conductive ionomers, the first portion of the presentation will focus on anion conducting polyphosphazene ionomers, in which polymer bound cations are quaternized with either short alkyl or short ether oxygen chains. The low Tg, amorphous nature, and cation-solvating backbone distinguish polyphosphazenes as promising materials for ion conduction, the iodide variants being of particular interest in solar cells. In the second part of this overview, the first findings on the molecular dynamics of linear precise polyethylene-based ionomers containing 1-methylimidazolium bromide pendants on exactly every 9th, 15th, or 21st carbon atom will be summarized. In order to develop a robust interpretation of the dynamics of these materials, it is imperative to develop a thorough understanding of microphase separation (e.g. ion aggregation), and each of the above studies is complimented by multiangle X-ray scattering experiments. Supported by the NSF Polymers Program and DOE Basic Energy Sciences.

  5. Hard and soft acids and bases: atoms and atomic ions. (United States)

    Reed, James L


    The structural origin of hard-soft behavior in atomic acids and bases has been explored using a simple orbital model. The Pearson principle of hard and soft acids and bases has been taken to be the defining statement about hard-soft behavior and as a definition of chemical hardness. There are a number of conditions that are imposed on any candidate structure and associated property by the Pearson principle, which have been exploited. The Pearson principle itself has been used to generate a thermodynamically based scale of relative hardness and softness for acids and bases (operational chemical hardness), and a modified Slater model has been used to discern the electronic origin of hard-soft behavior. Whereas chemical hardness is a chemical property of an acid or base and the operational chemical hardness is an experimental measure of it, the absolute hardness is a physical property of an atom or molecule. A critical examination of chemical hardness, which has been based on a more rigorous application of the Pearson principle and the availability of quantitative measures of chemical hardness, suggests that the origin of hard-soft behavior for both acids and bases resides in the relaxation of the electrons not undergoing transfer during the acid-base interaction. Furthermore, the results suggest that the absolute hardness should not be taken as synonymous with chemical hardness but that the relationship is somewhat more complex. Finally, this work provides additional groundwork for a better understanding of chemical hardness that will inform the understanding of hardness in molecules.

  6. Theoretical insight into an empirical rule about organic corrosion inhibitors containing nitrogen, oxygen, and sulfur atoms (United States)

    Guo, Lei; Obot, Ime Bassey; Zheng, Xingwen; Shen, Xun; Qiang, Yujie; Kaya, Savaş; Kaya, Cemal


    Steel is an important material in industry. Adding heterocyclic organic compounds have proved to be very efficient for steel protection. There exists an empirical rule that the general trend in the inhibition efficiencies of molecules containing heteroatoms is such that O afore-mentioned experiment rule.

  7. Atomic level insights into realistic molecular models of dendrimer-drug complexes through MD simulations. (United States)

    Jain, Vaibhav; Maiti, Prabal K; Bharatam, Prasad V


    Computational studies performed on dendrimer-drug complexes usually consider 1:1 stoichiometry, which is far from reality, since in experiments more number of drug molecules get encapsulated inside a dendrimer. In the present study, molecular dynamic (MD) simulations were implemented to characterize the more realistic molecular models of dendrimer-drug complexes (1:n stoichiometry) in order to understand the effect of high drug loading on the structural properties and also to unveil the atomistic level details. For this purpose, possible inclusion complexes of model drug Nateglinide (Ntg) (antidiabetic, belongs to Biopharmaceutics Classification System class II) with amine- and acetyl-terminated G4 poly(amidoamine) (G4 PAMAM(NH 2 ) and G4 PAMAM(Ac)) dendrimers at neutral and low pH conditions are explored in this work. MD simulation analysis on dendrimer-drug complexes revealed that the drug encapsulation efficiency of G4 PAMAM(NH 2 ) and G4 PAMAM(Ac) dendrimers at neutral pH was 6 and 5, respectively, while at low pH it was 12 and 13, respectively. Center-of-mass distance analysis showed that most of the drug molecules are located in the interior hydrophobic pockets of G4 PAMAM(NH 2 ) at both the pH; while in the case of G4 PAMAM(Ac), most of them are distributed near to the surface at neutral pH and in the interior hydrophobic pockets at low pH. Structural properties such as radius of gyration, shape, radial density distribution, and solvent accessible surface area of dendrimer-drug complexes were also assessed and compared with that of the drug unloaded dendrimers. Further, binding energy calculations using molecular mechanics Poisson-Boltzmann surface area approach revealed that the location of drug molecules in the dendrimer is not the decisive factor for the higher and lower binding affinity of the complex, but the charged state of dendrimer and drug, intermolecular interactions, pH-induced conformational changes, and surface groups of dendrimer do play an important role in the stabilization of complex. Interestingly, it was observed from the equilibrated structures of dendrimer-drug complexes at low pH that encapsulated drug molecules in the G4 PAMAM(NH 2 ) formed cluster, while in the case of nontoxic G4 PAMAM(Ac) they were uniformly distributed inside the dendritic cavities. Thus, the latter dendrimer is suggested to be suitable nanovehicle for the delivery of Ntg. This computational analysis highlighted the importance of realistic molecular models of dendrimer-drug complexes (1:n) in order to obtain reliable results.

  8. Atomic-scale insight and design principles for turbine engine thermal barrier coatings from theory

    National Research Council Canada - National Science Library

    Kristen A. Marino; Berit Hinnemann; Emily A. Carter


    To maximize energy efficiency, gas turbine engines used in airplanes and for power generation operate at very high temperatures, even above the melting point of the metal alloys from which they are comprised...

  9. Reading and writing single-atom magnets (United States)

    Natterer, Fabian D.; Yang, Kai; Paul, William; Willke, Philip; Choi, Taeyoung; Greber, Thomas; Heinrich, Andreas J.; Lutz, Christopher P.


    The single-atom bit represents the ultimate limit of the classical approach to high-density magnetic storage media. So far, the smallest individually addressable bistable magnetic bits have consisted of 3-12 atoms. Long magnetic relaxation times have been demonstrated for single lanthanide atoms in molecular magnets, for lanthanides diluted in bulk crystals, and recently for ensembles of holmium (Ho) atoms supported on magnesium oxide (MgO). These experiments suggest a path towards data storage at the atomic limit, but the way in which individual magnetic centres are accessed remains unclear. Here we demonstrate the reading and writing of the magnetism of individual Ho atoms on MgO, and show that they independently retain their magnetic information over many hours. We read the Ho states using tunnel magnetoresistance and write the states with current pulses using a scanning tunnelling microscope. The magnetic origin of the long-lived states is confirmed by single-atom electron spin resonance on a nearby iron sensor atom, which also shows that Ho has a large out-of-plane moment of 10.1 ± 0.1 Bohr magnetons on this surface. To demonstrate independent reading and writing, we built an atomic-scale structure with two Ho bits, to which we write the four possible states and which we read out both magnetoresistively and remotely by electron spin resonance. The high magnetic stability combined with electrical reading and writing shows that single-atom magnetic memory is indeed possible.

  10. Electrical transport and Al doping efficiency in nanoscale ZnO films prepared by atomic layer deposition

    NARCIS (Netherlands)

    Wu, Y.; Hermkens, P.M.; Loo, B.W.H. van de; Knoops, H.C.M.; Potts, S.E.; Verheijen, M.A.; Roozeboom, F.; Kessels, W.M.M.


    In this work, the structural, electrical, and optical properties as well as chemical bonding state of Al-doped ZnO films deposited by atomic layer deposition have been investigated to obtain insight into the doping and electrical transport mechanisms in the films. The range in doping levels from 0%

  11. Atomic Force Microscopy of Coccoliths: Implications for Biomineralisation and Diagenesis

    DEFF Research Database (Denmark)

    Henriksen, Karen; Young, Jette F.; Bown, P.R.


    geochemistry, diagenesis, coccoliths, biomineralization, biological calcite, atomic force microscopy......geochemistry, diagenesis, coccoliths, biomineralization, biological calcite, atomic force microscopy...

  12. PREFACE: Atomic Spectra and Oscillator Strengths (ASOS9) Atomic Spectra and Oscillator Strengths (ASOS9) (United States)

    Wahlgren, Glenn M.; Wiese, Wolfgang L.; Beiersdorfer, Peter


    being used to determine fundamental quantities. Atomic data for programs in astronomical infrared spectroscopy were highlighted by both oral and poster contributions as being an important area in the near future. As part of ASOS9 we were honored to celebrate the retirement of Professor Sveneric Johansson. At a special session on the spectroscopy of iron, which was conducted in his honor, he presented his insights into the Fe II term system and his most recent work with astrophysical applications. Professor Johansson was also honored with heart-felt acknowledgments at the conference dinner on an unusually warm Lund summer evening. Prior to the publication of these proceedings, we were extremely saddened to learn of Sveneric's passing on 10 October 2008. Sveneric Johansson, a founding father of the ASOS conference series, was widely known for his pioneering work on the atomic structure of heavy elements as a well as for his leadership of the international FERRUM Project, which successfully determined a definitive set of spectroscopic data for Fe II. His knowledge of spectroscopy, his leadership qualities and his friendship will be sadly missed. Acknowledgments The spirit of ASOS has been maintained by the dedication of the organizing committees that have kept a tight focus on the nature of the conference yet allowed for the incorporation of new areas of research in the field. The International Program Committee for ASOS9 are to be commended for their efforts in providing an interesting program. They have also served as the primary source of manuscript referees, who along with other referees have performed a valuable service. Many thanks must be given to the local organizing committee, who made the return of ASOS to Lund a memorable experience, both through the many opportunities for social gatherings during the conference and a post-conference outing through Skåne. We would also like to express our appreciation to the Royal Swedish Academy of Sciences, the Royal

  13. Laser-Assisted Atom Probe Tomography of Deformed Minerals: A Zircon Case Study. (United States)

    La Fontaine, Alexandre; Piazolo, Sandra; Trimby, Patrick; Yang, Limei; Cairney, Julie M


    The application of atom probe tomography to the study of minerals is a rapidly growing area. Picosecond-pulsed, ultraviolet laser (UV-355 nm) assisted atom probe tomography has been used to analyze trace element mobility within dislocations and low-angle boundaries in plastically deformed specimens of the nonconductive mineral zircon (ZrSiO4), a key material to date the earth's geological events. Here we discuss important experimental aspects inherent in the atom probe tomography investigation of this important mineral, providing insights into the challenges in atom probe tomography characterization of minerals as a whole. We studied the influence of atom probe tomography analysis parameters on features of the mass spectra, such as the thermal tail, as well as the overall data quality. Three zircon samples with different uranium and lead content were analyzed, and particular attention was paid to ion identification in the mass spectra and detection limits of the key trace elements, lead and uranium. We also discuss the correlative use of electron backscattered diffraction in a scanning electron microscope to map the deformation in the zircon grains, and the combined use of transmission Kikuchi diffraction and focused ion beam sample preparation to assist preparation of the final atom probe tip.

  14. Identification of Conserved Moieties in Metabolic Networks by Graph Theoretical Analysis of Atom Transition Networks (United States)

    Haraldsdóttir, Hulda S.; Fleming, Ronan M. T.


    Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic network. Identification of conserved moieties gives insight into the structure and function of metabolic networks and facilitates metabolic modelling. All moiety conservation relations can be represented as nonnegative integer vectors in the left null space of the stoichiometric matrix corresponding to a biochemical network. Algorithms exist to compute such vectors based only on reaction stoichiometry but their computational complexity has limited their application to relatively small metabolic networks. Moreover, the vectors returned by existing algorithms do not, in general, represent conservation of a specific moiety with a defined atomic structure. Here, we show that identification of conserved moieties requires data on reaction atom mappings in addition to stoichiometry. We present a novel method to identify conserved moieties in metabolic networks by graph theoretical analysis of their underlying atom transition networks. Our method returns the exact group of atoms belonging to each conserved moiety as well as the corresponding vector in the left null space of the stoichiometric matrix. It can be implemented as a pipeline of polynomial time algorithms. Our implementation completes in under five minutes on a metabolic network with more than 4,000 mass balanced reactions. The scalability of the method enables extension of existing applications for moiety conservation relations to genome-scale metabolic networks. We also give examples of new applications made possible by elucidating the atomic structure of conserved moieties. PMID:27870845

  15. Deconstructing insight: EEG correlates of insightful problem solving.

    Directory of Open Access Journals (Sweden)

    Simone Sandkühler

    Full Text Available BACKGROUND: Cognitive insight phenomenon lies at the core of numerous discoveries. Behavioral research indicates four salient features of insightful problem solving: (i mental impasse, followed by (ii restructuring of the problem representation, which leads to (iii a deeper understanding of the problem, and finally culminates in (iv an "Aha!" feeling of suddenness and obviousness of the solution. However, until now no efforts have been made to investigate the neural mechanisms of these constituent features of insight in a unified framework. METHODOLOGY/PRINCIPAL FINDINGS: In an electroencephalographic study using verbal remote associate problems, we identified neural correlates of these four features of insightful problem solving. Hints were provided for unsolved problems or after mental impasse. Subjective ratings of the restructuring process and the feeling of suddenness were obtained on trial-by-trial basis. A negative correlation was found between these two ratings indicating that sudden insightful solutions, where restructuring is a key feature, involve automatic, subconscious recombination of information. Electroencephalogram signals were analyzed in the space x time x frequency domain with a nonparametric cluster randomization test. First, we found strong gamma band responses at parieto-occipital regions which we interpreted as (i an adjustment of selective attention (leading to a mental impasse or to a correct solution depending on the gamma band power level and (ii encoding and retrieval processes for the emergence of spontaneous new solutions. Secondly, we observed an increased upper alpha band response in right temporal regions (suggesting active suppression of weakly activated solution relevant information for initially unsuccessful trials that after hint presentation led to a correct solution. Finally, for trials with high restructuring, decreased alpha power (suggesting greater cortical excitation was observed in right prefrontal

  16. Precision measurements with atom interferometry (United States)

    Schubert, Christian; Abend, Sven; Schlippert, Dennis; Ertmer, Wolfgang; Rasel, Ernst M.


    Interferometry with matter waves enables precise measurements of rotations, accelerations, and differential accelerations [1-5]. This is exploited for determining fundamental constants [2], in fundamental science as e.g. testing the universality of free fall [3], and is applied for gravimetry [4], and gravity gradiometry [2,5]. At the Institut für Quantenoptik in Hannover, different approaches are pursued. A large scale device is designed and currently being set up to investigate the gain in precision for gravimetry, gradiometry, and fundamental tests on large baselines [6]. For field applications, a compact and transportable device is being developed. Its key feature is an atom chip source providing a collimated high flux of atoms which is expected to mitigate systematic uncertainties [7,8]. The atom chip technology and miniaturization benefits from microgravity experiments in the drop tower in Bremen and sounding rocket experiments [8,9] which act as pathfinders for space borne operation [10]. This contribution will report about our recent results. The presented work is supported by the CRC 1227 DQ-mat, the CRC 1128 geo-Q, the RTG 1729, the QUEST-LFS, and by the German Space Agency (DLR) with funds provided by the Federal Ministry of Economic Affairs and Energy (BMWi) due to an enactment of the German Bundestag under Grant No. DLR 50WM1552-1557. [1] P. Berg et al., Phys. Rev. Lett., 114, 063002, 2015; I. Dutta et al., Phys. Rev. Lett., 116, 183003, 2016. [2] J. B. Fixler et al., Science 315, 74 (2007); G. Rosi et al., Nature 510, 518, 2014. [3] D. Schlippert et al., Phys. Rev. Lett., 112, 203002, 2014. [4] A. Peters et al., Nature 400, 849, 1999; A. Louchet-Chauvet et al., New J. Phys. 13, 065026, 2011; C. Freier et al., J. of Phys.: Conf. Series 723, 012050, 2016. [5] J. M. McGuirk et al., Phys. Rev. A 65, 033608, 2002; P. Asenbaum et al., arXiv:1610.03832. [6] J. Hartwig et al., New J. Phys. 17, 035011, 2015. [7] H. Ahlers et al., Phys. Rev. Lett. 116, 173601

  17. Atom Interferometry for Fundamental Physics and Gravity Measurements in Space (United States)

    Kohel, James M.


    Laser-cooled atoms are used as freefall test masses. The gravitational acceleration on atoms is measured by atom-wave interferometry. The fundamental concept behind atom interferometry is the quantum mechanical particle-wave duality. One can exploit the wave-like nature of atoms to construct an atom interferometer based on matter waves analogous to laser interferometers.

  18. Manipulating Atoms with Light Achievements and Perspectives

    CERN Multimedia

    CERN. Geneva


    During the last few decades spectacular progress has been achieved in the control of atomic systems by light. It will be shown how it is possible to use the basic conservation laws in atom-photon interactions for polarizing atoms, for trapping them, for cooling them to extremely low temperatures, in the microkelvin, and even in the nanokelvin range. A review will be given of recent advances in this field and of new applications, including atomic clocks with very high relative stability and accuracy, atomic interferometers allowing precise measurement of rotation speeds and gravitational fields, the realization of new states of matter such as Bose-Einstein condensates, matter waves and atom lasers, ultracold molecules. New perspectives opened by these results will be also briefly discussed.

  19. Magnetic trapping of cold bromine atoms. (United States)

    Rennick, C J; Lam, J; Doherty, W G; Softley, T P


    Magnetic trapping of bromine atoms at temperatures in the millikelvin regime is demonstrated for the first time. The atoms are produced by photodissociation of Br2 molecules in a molecular beam. The lab-frame velocity of Br atoms is controlled by the wavelength and polarization of the photodissociation laser. Careful selection of the wavelength results in one of the pair of atoms having sufficient velocity to exactly cancel that of the parent molecule, and it remains stationary in the lab frame. A trap is formed at the null point between two opposing neodymium permanent magnets. Dissociation of molecules at the field minimum results in the slowest fraction of photofragments remaining trapped. After the ballistic escape of the fastest atoms, the trapped slow atoms are lost only by elastic collisions with the chamber background gas. The measured loss rate is consistent with estimates of the total cross section for only those collisions transferring sufficient kinetic energy to overcome the trapping potential.

  20. Trapping cold ground state argon atoms. (United States)

    Edmunds, P D; Barker, P F


    We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39)  C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10)  cm(3) s(-1).

  1. A nanoscale quantum interface for single atoms (United States)

    Tiecke, Tobias; Thompson, Jeff; Feist, Johannes; Yu, Chun; Akimov, Alexey; Chang, Darrick; Zibrov, Alexander; Vuletic, Vladan; Park, Hongkun; Lukin, Mikhail


    Neutral atoms are ideal quantum systems: they have long ground-state coherence times and strong optical cycling transitions that enable state detection and preparation. Building quantum networks of atoms interacting through photons is challenging, however, as many schemes for atom-photon interaction are inefficient or hard to scale. We propose a scheme to trap neutral atoms near silver nanowires, which are tightly confining waveguides for surface plasmons. The nanowire tip is used to generate a near-field optical trapping potential, and to enhance and efficiently collect spontaneous emission from the atom. We present experimental results on using the atom to sense the optical field at submicron distances from the wire and our current efforts towards loading the nanotrap.

  2. Nanostructured optical nanofibres for atom trapping

    CERN Document Server

    Daly, Mark; Phelan, Ciarán; Deasy, Kieran; Chormaic, Síle Nic


    We propose an optical dipole trap for cold neutral atoms based on the electric field produced from the evanescent fields in a hollow rectangular slot cut through an optical nanofibre. In particular, we discuss the trap performance in relation to laser-cooled rubidium atoms and show that a far off-resonance, blue-detuned field combined with the attractive surface-atom interaction potential from the dielectric material forms a stable trapping configuration. With the addition of a red-detuned field, we demonstrate how three dimensional confinement of the atoms at a distance of 140 - 200 nm from the fibre surface within the slot can be accomplished. This scheme facilitates optical coupling between the atoms and the nanofibre that could be exploited for quantum communication schemes using ensembles of laser-cooled atoms.

  3. Imaging the atomic orbitals of carbon atomic chains with field-emission electron microscopy (United States)

    Mikhailovskij, I. M.; Sadanov, E. V.; Mazilova, T. I.; Ksenofontov, V. A.; Velicodnaja, O. A.


    A recently developed high-field technique of atomic chains preparation has made it possible to attain the ultrahigh resolution of field-emission electron microscopy (FEEM), which can be used to direct imaging the intra-atomic electronic structure. By applying cryogenic FEEM, we are able to resolve the spatial configuration of atomic orbitals, which correspond to quantized states of the end atom in free-standing carbon atomic chains. Knowledge of the intra-atomic structure will make it possible to visualize generic aspects of quantum mechanics and also lead to approaches for a wide range of nanotechnological applications.

  4. Scattering of muonic hydrogen atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mulhauser, F. [Universite de Fribourg (Switzerland); Adamczak, A. [Institute of Nuclear Physics (Poland); Beer, G.A. [University of Victoria (Canada); Bystritsky, V.M. [Joint Institute for Nuclear Research (Russian Federation); Filipowicz, M. [Institute of Physics and Nuclear Techniques (Poland); Fujiwara, M.C. [University of British Columbia (Canada); Huber, T.M. [Gustavus Adolphus College (United States); Jacot-Guillarmod, R. [Universite de Fribourg (Switzerland); Kammel, P. [University of California (United States); Kim, S.K. [Jeonbuk National University (Korea, Republic of); Knowles, P. [Universite de Fribourg (Switzerland); Kunselman, A.R. [University of Wyoming (United States); Maier, M. [University of Victoria (Canada); Markushin, V.E. [Paul Scherrer Institute (Switzerland); Marshall, G.M. [TRIUMF (Canada); Olin, A. [University of Victoria (Canada); Petitjean, C. [Paul Scherrer Institute (Switzerland); Porcelli, T.A. [University of Victoria (Canada); Stolupin, V.A. [Joint Institute for Nuclear Research (Russian Federation); Wozniak, J. [Institute of Physics and Nuclear Techniques (Poland)] (and others)


    Our measurement compares the energy dependence of the scattering cross-sections of muonic deuterium and tritium on hydrogen molecules for collisions in the energy range 0.1-45 eV. A time-of-flight method was used to measure the scattering cross-section as a function of the muonic atom beam energy and shows clearly the Ramsauer-Townsend effect. The results are compared with theoretical calculations by using Monte Carlo simulations. The molecular pd{mu} and pt{mu} formation creates background processes. We measure the formation rates in solid hydrogen by detecting the 5.5 MeV (pd{mu}) and 19.8 MeV (pt{mu}) {gamma}-rays emitted during the subsequent nuclear fusion processes.

  5. Theoretical Calculations of Atomic Data for Spectroscopy (United States)

    Bautista, Manuel A.


    Several different approximations and techniques have been developed for the calculation of atomic structure, ionization, and excitation of atoms and ions. These techniques have been used to compute large amounts of spectroscopic data of various levels of accuracy. This paper presents a review of these theoretical methods to help non-experts in atomic physics to better understand the qualities and limitations of various data sources and assess how reliable are spectral models based on those data.

  6. Quantum gates between superconducting and atomic qubits (United States)

    Saffman, Mark; Wilhelm, Frank; McDermott, Robert


    We propose methods for performing entangling gate operations between superconducting phase qubits and neutral atom hyperfine qubits. The gate is mediated by mapping the superconducting qubit onto a microwave excitation of a coplanar waveguide resonator (CPW). The large transition dipole moments of atomic Rydberg states at microwave frequencies enable bidirectional entanglement between a single atom and a single CPW photon. Specific gate protocols and fidelity calculations are presented for experimentally realistic geometries.

  7. Atomicity violation detection using access interleaving invariants (United States)

    Zhou, Yuanyuan; Lu, Shan; Tucek, Joseph Andrew


    During execution of a program, the situation where the atomicity of a pair of instructions that are to be executed atomically is violated is identified, and a bug is detected as occurring in the program at the pair of instructions. The pairs of instructions that are to be executed atomically can be identified in different manners, such as by executing a program multiple times and using the results of those executions to automatically identify the pairs of instructions.

  8. Atomic hydrogen storage method and apparatus (United States)

    Woollam, J. A. (Inventor)


    Atomic hydrogen, for use as a fuel or as an explosive, is stored in the presence of a strong magnetic field in exfoliated layered compounds such as molybdenum disulfide or an elemental layer material such as graphite. The compounds maintained at liquid helium temperatures and the atomic hydrogen is collected on the surfaces of the layered compound which are exposed during delamination (exfoliation). The strong magnetic field and the low temperature combine to prevent the atoms of hydrogen from recombining to form molecules.

  9. Constructing many atomic models in $\\aleph_1$


    Baldwin, John T.; Laskowski, Michael C.; Shelah, Saharon


    We introduce the notion of pseudo-algebraicity to study atomic models of first order theories (equivalently models of a complete sentence of $L_{\\omega_1,\\omega}$. Theorem: Let $T$ be any complete first-order theory in a countable language with an atomic model. If the pseudo-minimal types are not dense, then there are $2^{\\aleph_1}$ pairwise non-isomorphic atomic models of $T$, each of size $\\aleph_1$.

  10. Collective light forces on atoms in resonators

    Energy Technology Data Exchange (ETDEWEB)

    Black, Adam T; Thompson, James K; Vuletic, Vladan [Department of Physics, MIT-Harvard Center for Ultracold Atoms, and Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)


    We study resonator-induced light forces arising from cooperative atom-light interaction. For such collective processes, the force on the sample can be orders of magnitude larger than the sum of conventional light forces on individual atoms. Since resonator-induced light forces can be dissipative even when the incident light is far detuned from atomic transitions, they may be applicable to target particles with a complex level structure.

  11. Experimental triple-slit interference in a strongly driven V-type artificial atom (United States)

    Dada, Adetunmise C.; Santana, Ted S.; Koutroumanis, Antonios; Ma, Yong; Park, Suk-In; Song, Jindong; Gerardot, Brian D.


    Rabi oscillations of a two-level atom appear as a quantum interference effect between the amplitudes associated with atomic superpositions, in analogy with the classic double-slit experiment which manifests a sinusoidal interference pattern. By extension, through direct detection of time-resolved resonance fluorescence from a quantum-dot neutral exciton driven in the Rabi regime, we experimentally demonstrate triple-slit-type quantum interference via quantum erasure in a V-type three-level artificial atom. This result is of fundamental interest in the experimental studies of the properties of V-type three-level systems and may pave the way for further insight into their coherence properties as well as applications for quantum information schemes. It also suggests quantum dots as candidates for multipath-interference experiments for probing foundational concepts in quantum physics.

  12. Understanding Insight in the Context of Q (United States)

    Coghlan, David


    In Revans' learning formula, L = P + Q, Q represents "questioning insight", by which Revans means that insight comes out of the process of questioning programmed knowledge (P) in the light of experience. We typically focus on the content of an insight rather than on the act of insight. Drawing primarily on the work of Bernard Lonergan this paper…

  13. Revival of Raman coherence of trapped atoms (United States)

    Afek, Gadi; Coslovsky, Jonathan; Mil, Alexander; Davidson, Nir


    We perform Raman spectroscopy of optically trapped noninteracting 87Rb atoms, and observe revivals of the atomic coherence at integer multiples of the trap period. The effect of coherence control methods such as echo and dynamical decoupling is investigated experimentally, analytically, and numerically, along with the effect of the anharmonicity of the trapping potential. The latter is shown to be responsible for incompleteness of the revivals. Coherent Raman control of trapped atoms can be useful in the context of free-oscillation atom interferometry and spatial multimode quantum memory.

  14. Advances in atomic, molecular, and optical physics

    CERN Document Server

    Berman, Paul R; Arimondo, Ennio


    Volume 54 of the Advances Series contains ten contributions, covering a diversity of subject areas in atomic, molecular and optical physics. The article by Regal and Jin reviews the properties of a Fermi degenerate gas of cold potassium atoms in the crossover regime between the Bose-Einstein condensation of molecules and the condensation of fermionic atom pairs. The transition between the two regions can be probed by varying an external magnetic field. Sherson, Julsgaard and Polzik explore the manner in which light and atoms can be entangled, with applications to quantum information processing

  15. Nanophotonic cavity QED with individually trapped atoms (United States)

    Dordevic, Tamara; Samutpraphoot, Polnop; Bernien, Hannes; Ocola, Paloma; Schwartz, Sylvain; Vuletic, Vladan; Senko, Crystal; Lukin, Mikhail


    The realization of strong interactions between single photons and single atoms is a central theme in quantum optics and an essential prerequisite for future quantum applications such as quantum networks. We achieve such interactions by using a hybrid approach in which we couple individually trapped atoms to nanophotonic crystal cavities. Here we present our methods for trapping and cooling two atoms near a nanophotonic cavity and our progress towards preparing an entangled state of two atoms mediated by the cavity photons. Our experiment aims at demonstrating scalable and efficient quantum gates with applications in integrated quantum networks.

  16. Atomic and molecular beams production and collimation

    CERN Document Server

    Lucas, Cyril Bernard


    Atomic and molecular beams are employed in physics and chemistry experiments and, to a lesser extent, in the biological sciences. These beams enable atoms to be studied under collision-free conditions and allow the study of their interaction with other atoms, charged particles, radiation, and surfaces. Atomic and Molecular Beams: Production and Collimation explores the latest techniques for producing a beam from any substance as well as from the dissociation of hydrogen, oxygen, nitrogen, and the halogens.The book not only provides the basic expressions essential to beam design but also offers

  17. Towards the atomic-scale characterization of isolated iron sites confined in a nitrogen-doped graphene matrix

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Qingfei; Liu, Yun; Li, Haobo [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); University of Chinese Academy of Sciences, Beijing, 100039 (China); Li, Lulu [College of Chemistry, Faculty of Chemical, Environmental and Biological Science and Technology, Dalian University of Technology, Dalian, 116023 (China); Deng, Dehui [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); Yang, Fan, E-mail: [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China); Bao, Xinhe, E-mail: [State Key Laboratory of Catalysis, CAS Center for Excellence in Nanoscience, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023 (China)


    Highlights: • Local atomic and electronic structure of the Fe-N-C catalyst characterized by STM and STS. • The combination of air-AFM, UHV-STM and DFT calculations for the characterization of powder catalysts. • The selection of solvent is vital to the homogeneous dispersion of powder catalyst on a planar support. - Abstract: Atomic scale characterization of the surface structure of powder catalysts is essential to the identification of active sites, but remains a major challenge in catalysis research. We described here a procedure that combines atomic force microscopy (AFM), operated in air, and scanning tunneling microscopy (STM), operated in UHV, to obtain the atomic structure and local electronic properties of powder catalysts. The atomically dispersed Fe-N-C catalyst was used as an example, which was synthesized by low temperature ball milling methods. We discussed the effect of solvents in the dispersion of powder catalysts on a planar support, which is key to the subsequent atomic characterization. From the morphology, atomic structure and local electronic properties of the Fe-N-C catalyst, our combined measurements also provide an insight for the effect of ball milling in the preparation of atomically dispersed metal catalysts.

  18. Insight with hands and things

    DEFF Research Database (Denmark)

    Vallée-Tourangeau, Frédéric; Steffensen, S. V.; Vallée-Tourangeau, Gaëlle


    Two experiments examined whether different task ecologies influenced insight problem solving. The 17 animals problem was employed, a pure insight problem. Its initial formulation encourages the application of a direct arithmetic solution, but its solution requires the spatial arrangement of sets...... experiments, participants were much more likely to develop a working solution in the model building condition. The difference in performance elicited by different task ecologies was unrelated to individual differences in working memory, actively open-minded thinking, or need for cognition (Experiment 1...

  19. Nanoscale imaging of Bacillus thuringiensis flagella using atomic force microscopy (United States)

    Gillis, Annika; Dupres, Vincent; Delestrait, Guillaume; Mahillon, Jacques; Dufrêne, Yves F.


    Because bacterial flagella play essential roles in various processes (motility, adhesion, host interactions, secretion), studying their expression in relation to function is an important challenge. Here, we use atomic force microscopy (AFM) to gain insight into the nanoscale surface properties of two wild-type and four mutant strains of Bacillus thuringiensis exhibiting various levels of flagellation. We show that, unlike AFM in liquid, AFM in air is a simple and reliable approach to observe the morphological details of the bacteria, and to quantify the density and dimensions of their flagella. We found that the amount of flagella expressed by the six strains, as observed at the nanoscale, correlates with their microscopic swarming motility. These observations provide novel information on flagella expression in Gram-positive bacteria and demonstrate the power of AFM in genetic studies for the fast assessment of the phenotypic characteristics of bacterial strains altered in cell surface appendages.Because bacterial flagella play essential roles in various processes (motility, adhesion, host interactions, secretion), studying their expression in relation to function is an important challenge. Here, we use atomic force microscopy (AFM) to gain insight into the nanoscale surface properties of two wild-type and four mutant strains of Bacillus thuringiensis exhibiting various levels of flagellation. We show that, unlike AFM in liquid, AFM in air is a simple and reliable approach to observe the morphological details of the bacteria, and to quantify the density and dimensions of their flagella. We found that the amount of flagella expressed by the six strains, as observed at the nanoscale, correlates with their microscopic swarming motility. These observations provide novel information on flagella expression in Gram-positive bacteria and demonstrate the power of AFM in genetic studies for the fast assessment of the phenotypic characteristics of bacterial strains altered in

  20. Big Atoms for Small Children: Building Atomic Models from Common Materials to Better Visualize and Conceptualize Atomic Structure (United States)

    Cipolla, Laura; Ferrari, Lia A.


    A hands-on approach to introduce the chemical elements and the atomic structure to elementary/middle school students is described. The proposed classroom activity presents Bohr models of atoms using common and inexpensive materials, such as nested plastic balls, colored modeling clay, and small-sized pasta (or small plastic beads).

  1. Atom-atom interactions around the band edge of a photonic crystal waveguide. (United States)

    Hood, Jonathan D; Goban, Akihisa; Asenjo-Garcia, Ana; Lu, Mingwu; Yu, Su-Peng; Chang, Darrick E; Kimble, H J


    Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for tuning these interactions. In particular, the cross-over from propagating fields [Formula: see text] outside the bandgap to localized fields [Formula: see text] within the bandgap should be accompanied by a transition from largely dissipative atom-atom interactions to a regime where dispersive atom-atom interactions are dominant. Here, we experimentally observe this transition by shifting the band edge frequency of the PCW relative to the [Formula: see text] line of atomic cesium for [Formula: see text] atoms trapped along the PCW. Our results are the initial demonstration of this paradigm for coherent atom-atom interactions with low dissipation into the guided mode.

  2. Sub-atom shot noise Faraday imaging of ultracold atom clouds (United States)

    Kristensen, M. A.; Gajdacz, M.; Pedersen, P. L.; Klempt, C.; Sherson, J. F.; Arlt, J. J.; Hilliard, A. J.


    We demonstrate that a dispersive imaging technique based on the Faraday effect can measure the atom number in a large, ultracold atom cloud with a precision below the atom shot noise level. The minimally destructive character of the technique allows us to take multiple images of the same cloud, which enables sub-atom shot noise measurement precision of the atom number and allows for an in situ determination of the measurement precision. We have developed a noise model that quantitatively describes the noise contributions due to photon shot noise in the detected light and the noise associated with single atom loss. This model contains no free parameters and is calculated through an analysis of the fluctuations in the acquired images. For clouds containing N∼ 5× {10}6 atoms, we achieve a precision more than a factor of two below the atom shot noise level.

  3. Three-dimensional atom localization via electromagnetically induced transparency in a three-level atomic system. (United States)

    Wang, Zhiping; Cao, Dewei; Yu, Benli


    We present a new scheme for three-dimensional (3D) atom localization in a three-level atomic system via measuring the absorption of a weak probe field. Owing to the space-dependent atom-field interaction, the position probability distribution of the atom can be directly determined by measuring the probe absorption. It is found that, by properly varying the parameters of the system, the probability of finding the atom in 3D space can be almost 100%. Our scheme opens a promising way to achieve high-precision and high-efficiency 3D atom localization, which provides some potential applications in laser cooling or atom nano-lithography via atom localization.

  4. Complex patterning by vertical interchange atom manipulation using atomic force microscopy. (United States)

    Sugimoto, Yoshiaki; Pou, Pablo; Custance, Oscar; Jelinek, Pavel; Abe, Masayuki; Perez, Ruben; Morita, Seizo


    The ability to incorporate individual atoms in a surface following predetermined arrangements may bring future atom-based technological enterprises closer to reality. Here, we report the assembling of complex atomic patterns at room temperature by the vertical interchange of atoms between the tip apex of an atomic force microscope and a semiconductor surface. At variance with previous methods, these manipulations were produced by exploring the repulsive part of the short-range chemical interaction between the closest tip-surface atoms. By using first-principles calculations, we clarified the basic mechanisms behind the vertical interchange of atoms, characterizing the key atomistic processes involved and estimating the magnitude of the energy barriers between the relevant atomic configurations that leads to these manipulations.

  5. Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties (United States)

    Sokalski, W. A.; Shibata, M.; Ornstein, R. L.; Rein, R.


    The quality of several atomic charge models based on different definitions has been analyzed using cumulative atomic multipole moments (CAMM). This formalism can generate higher atomic moments starting from any atomic charges, while preserving the corresponding molecular moments. The atomic charge contribution to the higher molecular moments, as well as to the electrostatic potentials, has been examined for CO and HCN molecules at several different levels of theory. The results clearly show that the electrostatic potential obtained from CAMM expansion is convergent up to R-5 term for all atomic charge models used. This illustrates that higher atomic moments can be used to supplement any atomic charge model to obtain more accurate description of electrostatic properties.

  6. PREFACE: Atom-surface scattering Atom-surface scattering (United States)

    Miret-Artés, Salvador


    It has been a privilege and a real pleasure to organize this special issue or festschrift in the general field of atom-surface scattering (and its interaction) in honor of J R Manson. This is a good opportunity and an ideal place to express our deep gratitude to one of the leaders in this field for his fundamental and outstanding scientific contributions. J R Manson, or Dick to his friends and colleagues, is one of the founding fathers, together with N Cabrera and V Celli, of the 'Theory of surface scattering and detection of surface phonons'. This is the title of the very well-known first theoretical paper by Dick published in Physical Review Letters in 1969. My first meeting with Dick was around twenty years ago in Saclay. J Lapujoulade organized a small group seminar about selective adsorption resonances in metal vicinal surfaces. We discussed this important issue in surface physics and many other things as if we had always known each other. This familiarity and warm welcome struck me from the very beginning. During the coming years, I found this to be a very attractive aspect of his personality. During my stays in Göttingen, we had the opportunity to talk widely about science and life at lunch or dinner time, walking or cycling. During these nice meetings, he showed, with humility, an impressive cultural background. It is quite clear that his personal opinions about history, religion, politics, music, etc, come from considering and analyzing them as 'open dynamical systems'. In particular, with good food and better wine in a restaurant or at home, a happy cheerful soirée is guaranteed with him, or even with only a good beer or espresso, and an interesting conversation arises naturally. He likes to listen before speaking. Probably not many people know his interest in tractors. He has an incredible collection of very old tractors at home. In one of my visits to Clemson, he showed me the collection, explaining to me in great detail, their technical properties

  7. Resonant quantum transitions in trapped antihydrogen atoms. (United States)

    Amole, C; Ashkezari, M D; Baquero-Ruiz, M; Bertsche, W; Bowe, P D; Butler, E; Capra, A; Cesar, C L; Charlton, M; Deller, A; Donnan, P H; Eriksson, S; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Humphries, A J; Isaac, C A; Jonsell, S; Kurchaninov, L; Little, A; Madsen, N; McKenna, J T K; Menary, S; Napoli, S C; Nolan, P; Olchanski, K; Olin, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sarid, E; Shields, C R; Silveira, D M; Stracka, S; So, C; Thompson, R I; van der Werf, D P; Wurtele, J S


    The hydrogen atom is one of the most important and influential model systems in modern physics. Attempts to understand its spectrum are inextricably linked to the early history and development of quantum mechanics. The hydrogen atom's stature lies in its simplicity and in the accuracy with which its spectrum can be measured and compared to theory. Today its spectrum remains a valuable tool for determining the values of fundamental constants and for challenging the limits of modern physics, including the validity of quantum electrodynamics and--by comparison with measurements on its antimatter counterpart, antihydrogen--the validity of CPT (charge conjugation, parity and time reversal) symmetry. Here we report spectroscopy of a pure antimatter atom, demonstrating resonant quantum transitions in antihydrogen. We have manipulated the internal spin state of antihydrogen atoms so as to induce magnetic resonance transitions between hyperfine levels of the positronic ground state. We used resonant microwave radiation to flip the spin of the positron in antihydrogen atoms that were magnetically trapped in the ALPHA apparatus. The spin flip causes trapped anti-atoms to be ejected from the trap. We look for evidence of resonant interaction by comparing the survival rate of trapped atoms irradiated with microwaves on-resonance to that of atoms subjected to microwaves that are off-resonance. In one variant of the experiment, we detect 23 atoms that survive in 110 trapping attempts with microwaves off-resonance (0.21 per attempt), and only two atoms that survive in 103 attempts with microwaves on-resonance (0.02 per attempt). We also describe the direct detection of the annihilation of antihydrogen atoms ejected by the microwaves.

  8. Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights (United States)

    Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.


    To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.

  9. Insights into the Smoker's Profile (United States)

    Schwartz, Jerome L.


    The Smoking Control Research Project showed that most smokers wish to quit and that many of them can. It is necessary to present these smokers with the opportunities to quit, and then make the environment supportive of nonsmoking. Presented at the University of California Extension Course, "Cigarette Smoking: Insight into a Perplexing Problem,"…

  10. New Insights into Behavioral Finance

    NARCIS (Netherlands)

    G. Baltussen (Guido)


    textabstractThis thesis applies insights from psychology and other behavioral sciences to overcome the shortcomings of the traditional finance approach (which assumes that agents and markets are rational) and improves our understanding of financial markets and its participants. More specific, this

  11. Insights from a Math Phobic. (United States)

    Dodd, Anne Wescott


    The author's personal experiences in overcoming mathematics anxiety provide insights into how teachers can create a classroom environment to help students develop self-confidence by assessing students' feelings, using cooperative-learning techniques, showing more patience, and having students write about their experiences. (MDH)

  12. Investigating Insight as Sudden Learning (United States)

    Ash, Ivan K.; Jee, Benjamin D.; Wiley, Jennifer


    Gestalt psychologists proposed two distinct learning mechanisms. Associative learning occurs gradually through the repeated co-occurrence of external stimuli or memories. Insight learning occurs suddenly when people discover new relationships within their prior knowledge as a result of reasoning or problem solving processes that re-organize or…

  13. Global China Insights July 2013

    NARCIS (Netherlands)

    Ingrid Fischer


    Journal in which the Groningen Confucius Institute (GCI) shares different perspectives on China and provides insights into China from as many different aspects as possible. GCI aims to provide a full view of real China to the readers as well as featuring international and comprehensive perspectives,

  14. Psychology of Sport. Issues & Insights. (United States)

    Fisher, A. Craig, Ed.

    This book is designed to provide instructors and students in sport psychology courses with a learning instrument that combines the continuity of a textbook with the range of opinion, in-depth treatment of selected issues, and insight into research methods of a book of readings. The subject is divided into four topical categories. Under the heading…

  15. Atomic Force Microscope Mediated Chromatography (United States)

    Anderson, Mark S.


    The atomic force microscope (AFM) is used to inject a sample, provide shear-driven liquid flow over a functionalized substrate, and detect separated components. This is demonstrated using lipophilic dyes and normal phase chromatography. A significant reduction in both size and separation time scales is achieved with a 25-micron-length column scale, and one-second separation times. The approach has general applications to trace chemical and microfluidic analysis. The AFM is now a common tool for ultra-microscopy and nanotechnology. It has also been demonstrated to provide a number of microfluidic functions necessary for miniaturized chromatography. These include injection of sub-femtoliter samples, fluidic switching, and sheardriven pumping. The AFM probe tip can be used to selectively remove surface layers for subsequent microchemical analysis using infrared and tip-enhanced Raman spectroscopy. With its ability to image individual atoms, the AFM is a remarkably sensitive detector that can be used to detect separated components. These diverse functional components of microfluidic manipulation have been combined in this work to demonstrate AFM mediated chromatography. AFM mediated chromatography uses channel-less, shear-driven pumping. This is demonstrated with a thin, aluminum oxide substrate and a non-polar solvent system to separate a mixture of lipophilic dyes. In conventional chromatographic terms, this is analogous to thin-layer chromatography using normal phase alumina substrate with sheardriven pumping provided by the AFM tip-cantilever mechanism. The AFM detection of separated components is accomplished by exploiting the variation in the localized friction of the separated components. The AFM tip-cantilever provides the mechanism for producing shear-induced flows and rapid pumping. Shear-driven chromatography (SDC) is a relatively new concept that overcomes the speed and miniaturization limitations of conventional liquid chromatography. SDC is based on a

  16. Atomic Resolution Imaging and Quantification of Chemical Functionality of Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, Udo D. [Yale Univ., New Haven, CT (United States). Dept. of Mechanical Engineering and Materials Science; Altman, Eric I. [Yale Univ., New Haven, CT (United States). Dept. of Chemical and Environmental Engineering


    The work carried out from 2006-2014 under DoE support was targeted at developing new approaches to the atomic-scale characterization of surfaces that include species-selective imaging and an ability to quantify chemical surface interactions with site-specific accuracy. The newly established methods were subsequently applied to gain insight into the local chemical interactions that govern the catalytic properties of model catalysts of interest to DoE. The foundation of our work was the development of three-dimensional atomic force microscopy (3DAFM), a new measurement mode that allows the mapping of the complete surface force and energy fields with picometer resolution in space (x, y, and z) and piconewton/millielectron volts in force/energy. From this experimental platform, we further expanded by adding the simultaneous recording of tunneling current (3D-AFM/STM) using chemically well-defined tips. Through comparison with simulations, we were able to achieve precise quantification and assignment of local chemical interactions to exact positions within the lattice. During the course of the project, the novel techniques were applied to surface-oxidized copper, titanium dioxide, and silicon oxide. On these materials, defect-induced changes to the chemical surface reactivity and electronic charge density were characterized with site-specific accuracy.

  17. High-speed atomic force microscopy: imaging and force spectroscopy. (United States)

    Eghiaian, Frédéric; Rico, Felix; Colom, Adai; Casuso, Ignacio; Scheuring, Simon


    Atomic force microscopy (AFM) is the type of scanning probe microscopy that is probably best adapted for imaging biological samples in physiological conditions with submolecular lateral and vertical resolution. In addition, AFM is a method of choice to study the mechanical unfolding of proteins or for cellular force spectroscopy. In spite of 28 years of successful use in biological sciences, AFM is far from enjoying the same popularity as electron and fluorescence microscopy. The advent of high-speed atomic force microscopy (HS-AFM), about 10 years ago, has provided unprecedented insights into the dynamics of membrane proteins and molecular machines from the single-molecule to the cellular level. HS-AFM imaging at nanometer-resolution and sub-second frame rate may open novel research fields depicting dynamic events at the single bio-molecule level. As such, HS-AFM is complementary to other structural and cellular biology techniques, and hopefully will gain acceptance from researchers from various fields. In this review we describe some of the most recent reports of dynamic bio-molecular imaging by HS-AFM, as well as the advent of high-speed force spectroscopy (HS-FS) for single protein unfolding. Copyright © 2014 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

  18. Atomic clocks and the continuous-time random-walk (United States)

    Formichella, Valerio; Camparo, James; Tavella, Patrizia


    Atomic clocks play a fundamental role in many fields, most notably they generate Universal Coordinated Time and are at the heart of all global navigation satellite systems. Notwithstanding their excellent timekeeping performance, their output frequency does vary: it can display deterministic frequency drift; diverse continuous noise processes result in nonstationary clock noise (e.g., random-walk frequency noise, modelled as a Wiener process), and the clock frequency may display sudden changes (i.e., "jumps"). Typically, the clock's frequency instability is evaluated by the Allan or Hadamard variances, whose functional forms can identify the different operative noise processes. Here, we show that the Allan and Hadamard variances of a particular continuous-time random-walk, the compound Poisson process, have the same functional form as for a Wiener process with drift. The compound Poisson process, introduced as a model for observed frequency jumps, is an alternative to the Wiener process for modelling random walk frequency noise. This alternate model fits well the behavior of the rubidium clocks flying on GPS Block-IIR satellites. Further, starting from jump statistics, the model can be improved by considering a more general form of continuous-time random-walk, and this could bring new insights into the physics of atomic clocks.

  19. Advances in atomic physics: Four decades of contribution of the Cairo University - Atomic Physics Group. (United States)

    El-Sherbini, Tharwat M


    In this review article, important developments in the field of atomic physics are highlighted and linked to research works the author was involved in himself as a leader of the Cairo University - Atomic Physics Group. Starting from the late 1960s - when the author first engaged in research - an overview is provided of the milestones in the fascinating landscape of atomic physics.

  20. Atomic parity violation and the HERA anomaly


    Giusti, Leonardo; Strumia, Alessandro


    We show that the two scenarios able to explain the HERA anomaly --- a new leptoquark coupling or a new contact interaction --- predict new contributions to atomic parity violation. These corrections are sufficiently large and different that a feasible reduction in the dominant atomic theory uncertainty could give some hint in favour of one of the two scenarios.

  1. Photoassociation of cold metastable helium atoms

    NARCIS (Netherlands)

    Woestenenk, G.R.


    During the last decades the study of cold atoms has grown in a great measure. Research in this field has been made possible due to the development of laser cooling and trapping techniques. We use laser cooling to cool helium atoms down to a temperature of 1 mK and we are able to

  2. Ionisation of atomic hydrogen by positron impact (United States)

    Spicher, Gottfried; Olsson, Bjorn; Raith, Wilhelm; Sinapius, Guenther; Sperber, Wolfgang


    With the crossed beam apparatus the relative impact-ionization cross section of atomic hydrogen by positron impact was measured. A layout of the scattering region is given. The first measurements on the ionization of atomic hydrogen by positron impact are also given.

  3. Studies in Composing Hydrogen Atom Wavefunctions

    DEFF Research Database (Denmark)

    Putnam, Lance Jonathan; Kuchera-Morin, JoAnn; Peliti, Luca


    We present our studies in composing elementary wavefunctions of a hydrogen-like atom and identify several relationships between physical phenomena and musical composition that helped guide the process. The hydrogen-like atom accurately describes some of the fundamental quantum mechanical phenomen...

  4. Relativistic atomic physics at the SSC

    Energy Technology Data Exchange (ETDEWEB)



    This report discusses the following proposed work for relativistic atomic physics at the Superconducting Super Collider: Beam diagnostics; atomic physics research; staffing; education; budget information; statement concerning matching funds; description and justification of major items of equipment; statement of current and pending support; and assurance of compliance.

  5. Electron-Atom Collisions in Gases (United States)

    Kraftmakher, Yaakov


    Electron-atom collisions in gases are an aspect of atomic physics. Three experiments in this field employing a thyratron are described: (i) the Ramsauer-Townsend effect, (ii) the excitation and ionization potentials of xenon and (iii) the ion-electron recombination after interrupting the electric discharge.

  6. Mechanism of single atom switch on silicon

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Stokbro, Kurt; Thirstrup, C.


    We demonstrate single atom switch on silicon which operates by displacement of a hydrogen atom on the silicon (100) surface at room temperature. We find two principal effects by which the switch is controlled: a pronounced maximum of the switching probability as function of sample bias...

  7. Calculated Atomic Volumes of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, H.; Andersen, O. K.; Johansson, B.


    The equilibrium atomic volume is calculated for the actinide metals. It is possible to account for the localization of the 5f electrons taking place in americium.......The equilibrium atomic volume is calculated for the actinide metals. It is possible to account for the localization of the 5f electrons taking place in americium....

  8. Antihydrogen atoms may have been drifters

    CERN Multimedia

    Reich, Eugenie Samuel


    "It is a mystery of cosmic proportions: why is the universe filled with matter and not antimatter? Physicists hoping to find the answer have been left scratching their heads this week by an analysis which claims that some antihydrogen atoms created last year may not be normal antiatoms after all. Instead, they may sit on the blurry line between atoms and plasma" (1 page)

  9. Magnetic field modulation spectroscopy of rubidium atoms

    Indian Academy of Sciences (India)

    phase-sensitive detection of the signal, thereby paving the way for very high sensitive measurement in the parts per billion (PPB) levels [4]. On the other hand, the saturation. FMS (SFMS) can be used as a very precise frequency reference in experiments involving laser-cooled atoms, frequency standards as in atomic clock, ...

  10. Single atom adhesion in optimized gold nanojunctions

    NARCIS (Netherlands)

    Trouwborst, M. L.; Huisman, E. H.; Bakker, F. L.; van der Molen, S. J.; van Wees, B. J.


    We study the interaction between single apex atoms in a metallic contact, using the break junction geometry. By carefully training our samples, we create stable junctions in which no further atomic reorganization takes place. This allows us to study the relation between the so-called jump out of

  11. Monte Carlo calculations of atoms and molecules (United States)

    Schmidt, K. E.; Moskowitz, J. W.


    The variational and Green's function Monte Carlo (GFMC) methods can treat many interesting atomic and molecular problems. These methods can give chemical accuracy for up to 10 or so electrons. The various implementations of the GFMC method, including the domain Green's function method and the short-time approximation, are discussed. Results are presented for several representative atoms and molecules.

  12. Atomic displacements in bcc dilute alloys

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 68; Issue 4. Atomic displacements in bcc ... metal (TM) dilute alloys. We have calculated the atomic displacements in bcc (V, Cr, Fe, Nb, Mo, Ta and W) transition metals (TMs) due to 3d, 4d and 5d TMs at the substitutional site using the Kanzaki lattice static method.

  13. Cold-atom Inertial Sensor without Deadtime

    CERN Document Server

    Fang, Bess; Savoie, Denis; Venon, Bertrand; Alzar, Carlos L Garrido; Geiger, Remi; Landragin, Arnaud


    We report the operation of a cold-atom inertial sensor in a joint interrogation scheme, where we simultaneously prepare a cold-atom source and operate an atom interferometer in order to eliminate dead times. Noise aliasing and dead times are consequences of the sequential operation which is intrinsic to cold-atom atom interferometers. Both phenomena have deleterious effects on the performance of these sensors. We show that our continuous operation improves the short-term sensitivity of atom interferometers, by demonstrating a record rotation sensitivity of $100$ nrad.s$^{-1}/\\sqrt{\\rm Hz}$ in a cold-atom gyroscope of $11$ cm$^2$ Sagnac area. We also demonstrate a rotation stability of $1$ nrad.s$^{-1}$ after $10^4$ s of integration, improving previous results by an order of magnitude. We expect that the continuous operation will allow cold-atom inertial sensors with long interrogation time to reach their full sensitivity, determined by the quantum noise limit.

  14. Advances in atomic, molecular, and optical physics

    CERN Document Server

    Bederson, Benjamin


    Advances in Atomic, Molecular, and Optical Physics, established in 1965, continues its tradition of excellence with Volume 32, published in honor of Founding Editor Sir David Bates upon his retirement as editorof the series. This volume presents reviews of topics related to the applications of atomic and molecular physics to atmospheric physics and astrophysics.

  15. Rotary-atomizer electric power generator

    NARCIS (Netherlands)

    Nguyen, Trieu; Tran, Tuan; de Boer, Hans L.; van den Berg, Albert; Eijkel, Jan C.T.


    We report experimental and theoretical results on a ballistic energy-conversion method based on a rotary atomizer working with a droplet acceleration-deceleration cycle. In a rotary atomizer, liquid is fed onto the center of a rotating flat surface, where it spreads out under the action of the

  16. Programmable solid state atom sources for nanofabrication (United States)

    Han, Han; Imboden, Matthias; Stark, Thomas; Del Corro, Pablo G.; Pardo, Flavio; Bolle, Cristian A.; Lally, Richard W.; Bishop, David J.


    In this paper we discuss the development of a MEMS-based solid state atom source that can provide controllable atom deposition ranging over eight orders of magnitude, from ten atoms per square micron up to hundreds of atomic layers, on a target ~1 mm away. Using a micron-scale silicon plate as a thermal evaporation source we demonstrate the deposition of indium, silver, gold, copper, iron, aluminum, lead and tin. Because of their small sizes and rapid thermal response times, pulse width modulation techniques are a powerful way to control the atomic flux. Pulsing the source with precise voltages and timing provides control in terms of when and how many atoms get deposited. By arranging many of these devices into an array, one has a multi-material, programmable solid state evaporation source. These micro atom sources are a complementary technology that can enhance the capability of a variety of nano-fabrication techniques.In this paper we discuss the development of a MEMS-based solid state atom source that can provide controllable atom deposition ranging over eight orders of magnitude, from ten atoms per square micron up to hundreds of atomic layers, on a target ~1 mm away. Using a micron-scale silicon plate as a thermal evaporation source we demonstrate the deposition of indium, silver, gold, copper, iron, aluminum, lead and tin. Because of their small sizes and rapid thermal response times, pulse width modulation techniques are a powerful way to control the atomic flux. Pulsing the source with precise voltages and timing provides control in terms of when and how many atoms get deposited. By arranging many of these devices into an array, one has a multi-material, programmable solid state evaporation source. These micro atom sources are a complementary technology that can enhance the capability of a variety of nano-fabrication techniques. Electronic supplementary information (ESI) available: A document containing further information about device characterization

  17. Atomic clusters with addressable complexity (United States)

    Wales, David J.


    A general formulation for constructing addressable atomic clusters is introduced, based on one or more reference structures. By modifying the well depths in a given interatomic potential in favour of nearest-neighbour interactions that are defined in the reference(s), the potential energy landscape can be biased to make a particular permutational isomer the global minimum. The magnitude of the bias changes the resulting potential energy landscape systematically, providing a framework to produce clusters that should self-organise efficiently into the target structure. These features are illustrated for small systems, where all the relevant local minima and transition states can be identified, and for the low-energy regions of the landscape for larger clusters. For a 55-particle cluster, it is possible to design a target structure from a transition state of the original potential and to retain this structure in a doubly addressable landscape. Disconnectivity graphs based on local minima that have no direct connections to a lower minimum provide a helpful way to visualise the larger databases. These minima correspond to the termini of monotonic sequences, which always proceed downhill in terms of potential energy, and we identify them as a class of biminimum. Multiple copies of the target cluster are treated by adding a repulsive term between particles with the same address to maintain distinguishable targets upon aggregation. By tuning the magnitude of this term, it is possible to create assemblies of the target cluster corresponding to a variety of structures, including rings and chains.

  18. ``Effervescent'' Atomization in two dimensions (United States)

    Lhuissier, Henri; Villermaux, Emmanuel


    A planar Savart water sheet uniformly seeded with small air bubbles in large surface concentration is studied as a model experiment of the so-called ``effervescent'' atomization process. This two-dimensional setup allows for a quantitative observation of all the steps of the sheet disintegration into a collection of disjointed droplets. The bubbles are heterogeneous nucleation sites which puncture the sheet forming growing holes. The dynamics of the holes opening competes with the simultaneous nucleation rate of new holes in a statistically stationary fashion. The liquid constitutive of the sheet is then transitorily concentrated into a web of ligaments of various lengths and diameters, at the junction between adjacent holes. Their break-up produces the final spray. We provide a complete description of the ligaments web statistics in the case where nucleation is synchronous, and show that the drop size dispersion from the breakup of a single ligament is responsible for the shape of the resulting overall spray drop size distribution.

  19. Atomic Data for UV Astronomy (United States)

    Nave, Gillian


    Spectral lines of iron-group elements are observed in a wide variety of astrophysical objects including A- and B- type stars, the interstellar medium, quasi-stellar objects, and absorption spectra from quasi-stellar objects. Although lines of Fe II, Cr II and Ni II often dominate these spectra, even relatively low abundance elements such as Sc II can be important as their abundance can be significantly higher in some objects. In order to understand these spectra it is necessary to obtain and analyze high-resolution, high signal-to-noise ratio laboratory spectra to obtain accurate wavelengths and energy levels for all of the singly-ionized elements from scandium through nickel. For many years, the atomic spectroscopy groups at the National Institute of Standards and Technology (NIST), USA and Imperial College London, UK, have been recording high-resolution spectra of iron-group elements using Fourier transform (FT) and grating spectroscopy in order to complete their analyses. This has resulted comprehensive analyses of Fe II and Cr II from below 100 nm to 5000 nm, covering almost all of the region in which allowed lines of these spectra are typically observed in astronomical objects. Analysis of spectra of V II, Ti II and Co II recorded in less comprehensive regions using FT spectroscopy have also been published. I shall present our current work to extend the observations and analysis of Co II and Ti II to shorter wavelengths, and our comprehensive analyses of Mn II, Ni II, and Sc II.

  20. Atomic magnetometer for human magnetoencephalograpy.

    Energy Technology Data Exchange (ETDEWEB)

    Schwindt, Peter; Johnson, Cort N.


    We have developed a high sensitivity (<5 fTesla/{radical}Hz), fiber-optically coupled magnetometer to detect magnetic fields produced by the human brain. This is the first demonstration of a noncryogenic sensor that could replace cryogenic superconducting quantum interference device (SQUID) magnetometers in magnetoencephalography (MEG) and is an important advance in realizing cost-effective MEG. Within the sensor, a rubidium vapor is optically pumped with 795 laser light while field-induced optical rotations are measured with 780 nm laser light. Both beams share a single optical axis to maximize simplicity and compactness. In collaboration with neuroscientists at The Mind Research Network in Albuquerque, NM, the evoked responses resulting from median nerve and auditory stimulation were recorded with the atomic magnetometer and a commercial SQUID-based MEG system with signals comparing favorably. Multi-sensor operation has been demonstrated with two AMs placed on opposite sides of the head. Straightforward miniaturization would enable high-density sensor arrays for whole-head magnetoencephalography.

  1. Engineering quantum hyperentangled states in atomic systems (United States)

    Nawaz, Mehwish; -Islam, Rameez-ul; Abbas, Tasawar; Ikram, Manzoor


    Hyperentangled states have boosted many quantum informatics tasks tremendously due to their high information content per quantum entity. Until now, however, the engineering and manipulation of such states were limited to photonic systems only. In present article, we propose generating atomic hyperentanglement involving atomic internal states as well as atomic external momenta states. Hypersuperposition, hyperentangled cluster, Bell and Greenberger–Horne–Zeilinger states are engineered deterministically through resonant and off-resonant Bragg diffraction of neutral two-level atoms. Based on the characteristic parameters of the atomic Bragg diffraction, such as comparatively large interaction times and spatially well-separated outputs, such decoherence resistant states are expected to exhibit good overall fidelities and offer the evident benefits of full controllability, along with extremely high detection efficiency, over the counterpart photonic states comprised entirely of flying qubits.

  2. Laser controlled atom source for optical clocks (United States)

    Kock, Ole; He, Wei; Świerad, Dariusz; Smith, Lyndsie; Hughes, Joshua; Bongs, Kai; Singh, Yeshpal


    Precision timekeeping has been a driving force in innovation, from defining agricultural seasons to atomic clocks enabling satellite navigation, broadband communication and high-speed trading. We are on the verge of a revolution in atomic timekeeping, where optical clocks promise an over thousand-fold improvement in stability and accuracy. However, complex setups and sensitivity to thermal radiation pose limitations to progress. Here we report on an atom source for a strontium optical lattice clock which circumvents these limitations. We demonstrate fast (sub 100 ms), cold and controlled emission of strontium atomic vapours from bulk strontium oxide irradiated by a simple low power diode laser. Our results demonstrate that millions of strontium atoms from the vapour can be captured in a magneto-optical trap (MOT). Our method enables over an order of magnitude reduction in scale of the apparatus. Future applications range from satellite clocks testing general relativity to portable clocks for inertial navigation systems and relativistic geodesy.

  3. High data rate atom interferometric device (United States)

    Biedermann, Grant; McGuinness, Hayden James Evans; Rakholia, Akash


    A light-pulse atomic interferometry (LPAI) apparatus is provided. The LPAI apparatus comprises a vessel, two sets of magnetic coils configured to magnetically confine an atomic vapor in two respective magneto-optical traps (MOTs) within the vessel when activated, and an optical system configured to irradiate the atomic vapor within the vessel with laser radiation that, when suitably tuned, can launch atoms previously confined in each of the MOTs toward the other MOT. In embodiments, the magnetic coils are configured to produce a magnetic field that is non-zero at the midpoint between the traps. In embodiments, the time-of-flight of the launched atoms from one MOT to the other is 12 ms or less. In embodiments, the MOTs are situated approximately 36 mm apart. In embodiments, the apparatus is configured to activate the magnetic coils according to a particular temporal magnetic field gradient profile.

  4. A new approach to entangling neutral atoms.

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jongmin [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Martin, Michael J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Jau, Yuan-Yu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Deutsch, Ivan H. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Biedermann, Grant W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)


    Our team has developed a new approach to entangling neutral atoms with a Rydberg-dressed interaction. Entangling neutral atoms is an essential key of quantum technologies such as quantum computation, many-body quantum simulation, and high-precision atomic sensors . The demonstrated Rydberg-dressed protocol involves adiabatically imposing a light shift on the ground state by coupling an excited Rydberg state with a tuned laser field. Using this technique, we have demonstrated a strong and tunable dipole - dipole interaction between two individually trapped atoms with energy shifts of order 1 MHz, which has been challenging to achieve in other protocols . During this program, we experimentally demonstrated Bell-state entanglement and the isomorphism to the Jaynes - Cumming model of a Rydberg-dressed two-atom system. Our theoretical calculations of a CPHASE quantum logic gate and arbitrary Dicke state quantum control in this system encourage further work.

  5. Atomic focusing by quantum fields: Entanglement properties

    Energy Technology Data Exchange (ETDEWEB)

    Paz, I.G. da [Departamento de Física, Universidade Federal do Piauí, Campus Ministro Petrônio Portela, CEP 64049-550, Teresina, PI (Brazil); Frazão, H.M. [Universidade Federal do Piauí, Campus Profa. Cinobelina Elvas, CEP 64900-000, Bom Jesus, PI (Brazil); Departamento de Física, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Caixa Postal 702, Belo Horizonte, MG 30123-970 (Brazil); Nemes, M.C. [Departamento de Física, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Caixa Postal 702, Belo Horizonte, MG 30123-970 (Brazil); Peixoto de Faria, J.G. [Departamento de Física e Matemática, Centro Federal de Educação Tecnológica de Minas Gerais, Av. Amazonas 7675, Belo Horizonte, MG 30510-000 (Brazil)


    The coherent manipulation of the atomic matter waves is of great interest both in science and technology. In order to study how an atom optic device alters the coherence of an atomic beam, we consider the quantum lens proposed by Averbukh et al. [1] to show the discrete nature of the electromagnetic field. We extend the analysis of this quantum lens to the study of another essentially quantum property present in the focusing process, i.e., the atom–field entanglement, and show how the initial atomic coherence and purity are affected by the entanglement. The dynamics of this process is obtained in closed form. We calculate the beam quality factor and the trace of the square of the reduced density matrix as a function of the average photon number in order to analyze the coherence and purity of the atomic beam during the focusing process.

  6. A continuous cold atomic beam interferometer

    Energy Technology Data Exchange (ETDEWEB)

    Xue, Hongbo [State Key Laboratory of Precision Measurement Technology and Instruments, Tsinghua University, Beijing 100084 (China); Joint Institute for Measurement Science, Tsinghua University, Beijing 100084 (China); Center for Space Science and Applied Research, Chinese Academy of Sciences, Beijing 100190 (China); Feng, Yanying, E-mail:; Yan, Xueshu; Jiang, Zhikun [State Key Laboratory of Precision Measurement Technology and Instruments, Tsinghua University, Beijing 100084 (China); Joint Institute for Measurement Science, Tsinghua University, Beijing 100084 (China); Chen, Shu [Joint Institute for Measurement Science, Tsinghua University, Beijing 100084 (China); Key Laboratory of Instrumentation Science, North University of China, Taiyuan 030051 (China); Wang, Xiaojia [College of Mechanical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Zhou, Zhaoying [State Key Laboratory of Precision Measurement Technology and Instruments, Tsinghua University, Beijing 100084 (China)


    We demonstrate an atom interferometer that uses a laser-cooled continuous beam of {sup 87}Rb atoms having velocities of 10–20 m/s. With spatially separated Raman beams to coherently manipulate the atomic wave packets, Mach–Zehnder interference fringes are observed at an interference distance of 2L = 19 mm. The apparatus operates within a small enclosed area of 0.07 mm{sup 2} at a bandwidth of 190 Hz with a deduced sensitivity of 7.8×10{sup −5} rad/s/√(Hz) for rotations. Using a low-velocity continuous atomic source in an atom interferometer enables high sampling rates and bandwidths without sacrificing sensitivity and compactness, which are important for applications in real dynamic environments.

  7. Atom trap loss, elastic collisions, and technology (United States)

    Booth, James


    The study of collisions and scattering has been one of the most productive approaches for modern physics, illuminating the fundamental structure of crystals, surfaces, atoms, and sub-atomic particles. In the field of cold atoms, this is no less true: studies of cold atom collisions were essential to the production of quantum degenerate matter, the formation of cold molecules, and so on. Over the past few years it has been my delight to investigate elastic collisions between cold atoms trapped in either a magneto-optical trap (MOT) or a magnetic trap with hot, background gas in the vacuum environment through the measurement of the loss of atoms from the trap. Motivated by the goal of creating cold atom-based technology, we are deciphering what the trapped atoms are communicating about their environment through the observed loss rate. These measurements have the advantages of being straightforward to implement and they provide information about the underlying, fundamental inter-atomic processes. In this talk I will present some of our recent work, including the observation of the trap depth dependence on loss rate for argon-rubidium collisions. The data follow the computed loss rate curve based on the long-range Van der Waals interaction between the two species. The implications of these findings are exciting: trap depths can be determined from the trap loss measurement under controlled background density conditions; observation of trap loss rate in comparison to models for elastic, inelastic, and chemical processes can lead to improved understanding and characterization of these fundamental interactions; finally the marriage of cold atoms with collision modeling offers the promise of creating a novel pressure sensor and pressure standard for the high and ultra-high vacuum regime.

  8. Noncontact Atomic Force Microscopy: An Emerging Tool for Fundamental Catalysis Research. (United States)

    Altman, Eric I; Baykara, Mehmet Z; Schwarz, Udo D


    Although atomic force microscopy (AFM) was rapidly adopted as a routine surface imaging apparatus after its introduction in 1986, it has not been widely used in catalysis research. The reason is that common AFM operating modes do not provide the atomic resolution required to follow catalytic processes; rather the more complex noncontact (NC) mode is needed. Thus, scanning tunneling microscopy has been the principal tool for atomic scale catalysis research. In this Account, recent developments in NC-AFM will be presented that offer significant advantages for gaining a complete atomic level view of catalysis. The main advantage of NC-AFM is that the image contrast is due to the very short-range chemical forces that are of interest in catalysis. This motivated our development of 3D-AFM, a method that yields quantitative atomic resolution images of the potential energy surfaces that govern how molecules approach, stick, diffuse, and rebound from surfaces. A variation of 3D-AFM allows the determination of forces required to push atoms and molecules on surfaces, from which diffusion barriers and variations in adsorption strength may be obtained. Pushing molecules towards each other provides access to intermolecular interaction between reaction partners. Following reaction, NC-AFM with CO-terminated tips yields textbook images of intramolecular structure that can be used to identify reaction intermediates and products. Because NC-AFM and STM contrast mechanisms are distinct, combining the two methods can produce unique insight. It is demonstrated for surface-oxidized Cu(100) that simultaneous 3D-AFM/STM yields resolution of both the Cu and O atoms. Moreover, atomic defects in the Cu sublattice lead to variations in the reactivity of the neighboring O atoms. It is shown that NC-AFM also allows a straightforward imaging of work function variations which has been used to identify defect charge states on catalytic surfaces and to map charge transfer within an individual

  9. 0.75 atoms improve the clock signal of 10,000 atoms

    DEFF Research Database (Denmark)

    Kruse, I.; Lange, K.; Peise, Jan


    Since the pioneering work of Ramsey, atom interferometers are employed for precision metrology, in particular to measure time and to realize the second. In a classical interferometer, an ensemble of atoms is prepared in one of the two input states, whereas the second one is left empty. In this case.......75 atoms to improve the clock sensitivity of 10,000 atoms by 2.05 dB. The SQL poses a significant limitation for today's microwave fountain clocks, which serve as the main time reference. We evaluate the major technical limitations and challenges for devising a next generation of fountain clocks based...... on atomic squeezed vacuum....

  10. Spatial Imaging of Strongly Interacting Rydberg Atoms (United States)

    Thaicharoen, Nithiwadee

    The strong interactions between Rydberg excitations can result in spatial correlations between the excitations. The ability to control the interaction strength and the correlations between Rydberg atoms is applicable in future technological implementations of quantum computation. In this thesis, I investigates how both the character of the Rydberg-Rydberg interactions and the details of the excitation process affect the nature of the spatial correlations and the evolution of those correlations in time. I first describes the experimental apparatus and methods used to perform high-magnification Rydberg-atom imaging, as well as three experiments in which these methods play an important role. The obtained Rydberg-atom positions reveal the correlations in the many-body Rydberg-atom system and their time dependence with sub-micron spatial resolution. In the first experiment, atoms are excited to a Rydberg state that experiences a repulsive van der Waals interaction. The Rydberg excitations are prepared with a well-defined initial separation, and the effect of van der Waals forces is observed by tracking the interatomic distance between the Rydberg atoms. The atom trajectories and thereby the interaction coefficient C6 are extracted from the pair correlation functions of the Rydberg atom positions. In the second experiment, the Rydberg atoms are prepared in a highly dipolar state by using adiabatic state transformation. The atom-pair kinetics that follow from the strong dipole-dipole interactions are observed. The pair correlation results provide the first direct visualization of the electric-dipole interaction and clearly exhibit its anisotropic nature. In both the first and the second experiment, results of semi-classical simulations of the atom-pair trajectories agree well with the experimental data. In the analysis, I use energy conservation and measurements of the initial positions and the terminal velocities of the atom pairs to extract the C6 and C 3 interaction

  11. Les Houches Summer School of Theoretical Physics : Session 72, Coherent Atomic Matter Waves

    CERN Document Server

    Westbrook, C; David, F; Coherent Atomic Matter Waves


    Progress in atomic physics has been so vigorous during the past decade that one is hard pressed to follow all the new developments. In the early 1990s the first atom interferometers opened a new field in which we have been able to use the wave nature of atoms to probe fundamental quantum me chanics questions as well as to make precision measurements. Coming fast on the heels of this development was the demonstration of Bose Einstein condensation in dilute atomic vapors which intensified research interest in studying the wave nature of matter, especially in a domain in which "macro scopic" quantum effects (vortices, stimulated scattering of atomic beams) are visible. At the same time there has been much progress in our understanding of the behavior of waves (notably electromagnetic) in complex media, both periodic and disordered. An obvious topic of speculation and probably of future research is whether any new insight or applications will develop if one examines the behavior of de Broglie waves in ana...

  12. Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach. (United States)

    Oña, Ofelia B; De Clercq, Olivier; Alcoba, Diego R; Torre, Alicia; Lain, Luis; Van Neck, Dimitri; Bultinck, Patrick


    The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fukui function using a chosen weight function for the atom in the molecule. Recently, Fukui functions and matrices for both atoms and bonds separately were introduced for semiempirical and ab initio levels of theory using Hückel and Mulliken atoms-in-molecule models. In this work, a double partitioning method of the Fukui matrix is proposed within the Hirshfeld-I atoms-in-molecule framework. Diagonalizing the resulting atomic and bond matrices gives eigenvalues and eigenvectors (Fukui orbitals) describing the reactivity of atoms and bonds. The Fukui function is the diagonal element of the Fukui matrix and may be resolved in atom and bond contributions. The extra information contained in the atom and bond resolution of the Fukui matrices and functions is highlighted. The effect of the choice of weight function arising from the Hirshfeld-I approach to obtain atom- and bond-condensed Fukui functions is studied. A comparison of the results with those generated by using the Mulliken atoms-in-molecule approach shows low correlation between the two partitioning schemes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Theoretical Calculation of Absolute Radii of Atoms and Ions. Part 1. The Atomic Radii

    Directory of Open Access Journals (Sweden)

    Raka Biswas


    Full Text Available Abstract. A set of theoretical atomic radii corresponding to the principal maximum in the radial distribution function, 4πr2R2 for the outermost orbital has been calculated for the ground state of 103 elements of the periodic table using Slater orbitals. The set of theoretical radii are found to reproduce the periodic law and the Lother Meyer’s atomic volume curve and reproduce the expected vertical and horizontal trend of variation in atomic size in the periodic table. The d-block and f-block contractions are distinct in the calculated sizes. The computed sizes qualitatively correlate with the absolute size dependent properties like ionization potentials and electronegativity of elements. The radii are used to calculate a number of size dependent periodic physical properties of isolated atoms viz., the diamagnetic part of the atomic susceptibility, atomic polarizability and the chemical hardness. The calculated global hardness and atomic polarizability of a number of atoms are found to be close to the available experimental values and the profiles of the physical properties computed in terms of the theoretical atomic radii exhibit their inherent periodicity. A simple method of computing the absolute size of atoms has been explored and a large body of known material has been brought together to reveal how many different properties correlate with atomic size.

  14. Optimization of electrothermal atomization parameters for simultaneous multielement atomic absorption spectrometry (United States)

    Harnly, J.M.; Kane, J.S.


    The effect of the acid matrix, the measurement mode (height or area), the atomizer surface (unpyrolyzed and pyrolyzed graphite), the atomization mode (from the wall or from a platform), and the atomization temperature on the simultaneous electrothermal atomization of Co, Cr, Cu, Fe, Mn, Mo, Ni, V, and Zn was examined. The 5% HNO3 matrix gave rise to severe irreproducibility using a pyrolyzed tube unless the tube was properly "prepared". The 5% HCl matrix did not exhibit this problem, and no problems were observed with either matrix using an unpyrolized tube or a pyrolyzed platform. The 5% HCl matrix gave better sensitivities with a pyrolyzed tube but the two matrices were comparable for atomization from a platform. If Mo and V are to be analyzed with the other seven elements, a high atomization temperature (2700??C or greater) is necessary regardless of the matrix, the measurement mode, the atomization mode, or the atomizer surface. Simultaneous detection limits (peak height with pyrolyzed tube atomization) were comparable to those of conventional atomic absorption spectrometry using electrothermal atomization above 280 nm. Accuracies and precisions of ??10-15% were found in the 10 to 120 ng mL-1 range for the analysis of NBS acidified water standards.

  15. Coexistence of photonic and atomic Bose-Einstein condensates in ideal atomic gases

    Directory of Open Access Journals (Sweden)

    N. Boichenko


    Full Text Available We have studied conditions of photon Bose-Einstein condensate formation that is in thermodynamic equilibrium with ideal gas of two-level Bose atoms below the degeneracy temperature. Equations describing thermodynamic equilibrium in the system were formulated; critical temperatures and densities of photonic and atomic gas subsystems were obtained analytically. Coexistence conditions of these photonic and atomic Bose-Einstein condensates were found. There was predicted the possibility of an abrupt type of photon condensation in the presence of Bose condensate of ground-state atoms: it was shown that the slightest decrease of the temperature could cause a significant gathering of photons in the condensate. This case could be treated as a simple model of the situation known as "stopped light" in cold atomic gas. We also showed how population inversion of atomic levels can be created by lowering the temperature. The latter situation looks promising for light accumulation in atomic vapor at very low temperatures.

  16. Atom localization in 2D for five-level atomic schemes in X-configuration (United States)

    Raheli, Ali; Hamedi, H. R.; Sahrai, M.


    A five-level X-type atomic scheme is proposed to elucidate the two-dimensional (2D) atom localization in sub-wavelength domain by using different coupling situations of the atom with standing wave fields. The scheme is a mixture of two upper V- and lower Λ -type usual three level systems which both are connected at a common intermediate level. The combination of the upper and lower systems can lead to different atom localization patterns as lattice-, chain-, crater-, wave-, and spike-like structures. We discuss how these structures may depend on different coupling conditions of the atom with the standing wave fields. Finally, an experimental implementation for such an atomic model is presented using the 87Rb atoms.

  17. High-dimensional atom localization via spontaneously generated coherence in a microwave-driven atomic system. (United States)

    Wang, Zhiping; Chen, Jinyu; Yu, Benli


    We investigate the two-dimensional (2D) and three-dimensional (3D) atom localization behaviors via spontaneously generated coherence in a microwave-driven four-level atomic system. Owing to the space-dependent atom-field interaction, it is found that the detecting probability and precision of 2D and 3D atom localization behaviors can be significantly improved via adjusting the system parameters, the phase, amplitude, and initial population distribution. Interestingly, the atom can be localized in volumes that are substantially smaller than a cubic optical wavelength. Our scheme opens a promising way to achieve high-precision and high-efficiency atom localization, which provides some potential applications in high-dimensional atom nanolithography.

  18. Life with Four Billion Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Knight, Thomas [Ginkgo Bioworks, Inc.


    Today it is commonplace to design and construct single silicon chips with billions of transistors. These are complex systems, difficult (but possible) to design, test, and fabricate. Remarkably, simple living systems can be assembled from a similar number of atoms, most of them in water molecules. In this talk I will present the current status of our attempts at full understanding and complexity reduction of one of the simplest living systems, the free-living bacterial species Mesoplasma florum. This 400 nm diameter cell thrives and replicates every 40 minutes with a genome of only 800 kilobases. Our recent experiments using transposon gene knockouts identified 354 of 683 annotated genes as inessential in laboratory culture when inactivated individually. While a functional redesigned genome will certainly not remove all of those genes, this suggests that roughly half the genome can be removed in an intentional redesign. I will discuss our recent knockout results and methodology, and our future plans for Genome re-engineering using targeted knock-in/knock-out double recombination; whole cell metabolic models; comprehensive whole cell metabolite measurement techniques; creation of plug-and-play metabolic modules for the simplified organism; inherent and engineered biosafety control mechanisms. This redesign is part of a comprehensive plan to lay the foundations for a new discipline of engineering biology. Engineering biological systems requires a fundamentally different viewpoint from that taken by the science of biology. Key engineering principles of modularity, simplicity, separation of concerns, abstraction, flexibility, hierarchical design, isolation, and standardization are of critical importance. The essence of engineering is the ability to imagine, design, model, build, and characterize novel systems to achieve specific goals. Current tools and components for these tasks are primitive. Our approach is to create and distribute standard biological parts

  19. On the energy of electric field in hydrogen atom


    Kornyushin, Yuri


    It is shown that hydrogen atom is a unique object in physics having negative energy of electric field, which is present in the atom. This refers also to some hydrogen-type atoms: hydrogen anti-atom, atom composed of proton and antiproton, and positronium.

  20. Structure formation in atom lithography using geometric collimation

    NARCIS (Netherlands)

    Meijer, T.; Beardmore, J.P.; Fabrie, C.G.C.H.M.; van Lieshout, J.P.; Notermans, R.P.M.J.W.; Sang, R.T.; Vredenbregt, E.J.D.; Van Leeuwen, K.A.H.


    Atom lithography uses standing wave light fields as arrays of lenses to focus neutral atom beams into line patterns on a substrate. Laser cooled atom beams are commonly used, but an atom beam source with a small opening placed at a large distance from a substrate creates atom beams which are locally

  1. Multiplicity of atomic reconfigurations in an electrochemical Pb single-atom transistor (United States)

    Xie, F.-Q.; Lin, X.-H.; Gross, A.; Evers, F.; Pauly, F.; Schimmel, Th.


    One focus of nanoelectronics research is to exploit the physical limits in size and energy efficiency. Here, we demonstrate a device in the form of a fully metallic atomic-scale transistor based on a lead (Pb) single-atom quantum point contact. The atomic configuration of the point contact determines the conductance of the Pb atomic-scale transistor. The conductance multiplicity of the Pb single-atom transistor has been confirmed by performing switching between an electrically nonconducting "off-state" and conducting "on-states" at 1 G0( G0=2 e2/h , where e is the electron charge, and h Planck's constant), 2.0 G0, 3.0 G0, 1.5 G0, 2.4 G0, 2.7 G0, 2.8 G0, and 5.4 G0, respectively. Our density-functional calculations for various ideal Pb single-atom contacts explain the atomic-configuration-related conductance multiplicity of the Pb single-atom transistor. The performance of the Pb single-atom transistors indicates that both the signatures of atomic valence and conductance quantization play roles in electron transport and bistable reconfiguration. The bistable reconfiguration of the electrode tips is an underlying mechanism in the switching of the Pb atomic-scale transistors. The absolute value of the electrochemical potential applied to the gate electrode is less than 30 mV. This merit suggests Pb [besides silver (Ag)] atomic-scale transistors as potential candidates for the development of electronic circuits with low power consumption. The dimension of the switching unit in the Pb single-atom transistor is in the range of 1 nm, which is much smaller than the projected scaling limit of the gate lengths in silicon transistors (5 nm). Therefore, the metallic single-atom transistors may provide perspectives for electronic applications beyond silicon.

  2. Laser Technology in Commercial Atomic Clocks (United States)

    Lutwak, R.


    Commercial atomic frequency standards (AFS) are deployed in diverse civilian, military, and aerospace applications, ranging from high-precision measurement and calibration to navigation, communications and, of course, timekeeping. Currently, commercially available AFS include magnetically-selected cesium beam frequency standards and hydrogen masers and lamp-pumped rubidium oscillators. Despite the revolution in atomic physics and laboratory-scale AFS brought about by the advent of the tunable laser in the early 1970s, commercial AFS invariably rely on more conventional atomic physics technology developed in the 1950s. The reason for this lack of advancement of commercial AFS technology is the relatively poor reliability and environmental sensitivity of narrow-linewidth single-mode laser sources at atomic resonance wavelengths. Over the past 8 years, Symmetricom, in collaboration with laser manufacturers, has developed specialized laser sources for commercial AFS applications. These laser devices, optimized for high spectral purity and long-term reliability, will enable a new generation of commercial AFS. This talk will briefly describe two laser-based atomic frequency standard development programs at Symmetricom. The Chip-Scale Atomic Clock, two orders of magnitude smaller and lower power than any commercial AFS, will enable atomic timing accuracy in portable battery-powered applications. The Optically-Pumped Cesium Beam Frequency Standard, under development for deployment onboard the GPS-III satellite constellation, will provide enhanced short-term stability and longer lifetime compared to magnetically-selected cesium beam AFS.

  3. Quantum Spin Lenses in Atomic Arrays

    Directory of Open Access Journals (Sweden)

    A. W. Glaetzle


    Full Text Available We propose and discuss quantum spin lenses, where quantum states of delocalized spin excitations in an atomic medium are focused in space in a coherent quantum process down to (essentially single atoms. These can be employed to create controlled interactions in a quantum light-matter interface, where photonic qubits stored in an atomic ensemble are mapped to a quantum register represented by single atoms. We propose Hamiltonians for quantum spin lenses as inhomogeneous spin models on lattices, which can be realized with Rydberg atoms in 1D, 2D, and 3D, and with strings of trapped ions. We discuss both linear and nonlinear quantum spin lenses: in a nonlinear lens, repulsive spin-spin interactions lead to focusing dynamics conditional to the number of spin excitations. This allows the mapping of quantum superpositions of delocalized spin excitations to superpositions of spatial spin patterns, which can be addressed by light fields and manipulated. Finally, we propose multifocal quantum spin lenses as a way to generate and distribute entanglement between distant atoms in an atomic lattice array.

  4. Vibration spectra of single atomic nanocontacts

    Energy Technology Data Exchange (ETDEWEB)

    Bourahla, B [Laboratoire de Physique et Chimie Quantique, Departement de Physique, Faculte des Sciences, Universite Mouloud Mammeri de Tizi-Ouzou, 15000 Tizi-Ouzou (Algeria); Khater, A [Laboratoire de Physique de l' Etat Condense UMR 6087, Universite du Maine, 72085 Le Mans (France); Rafil, O [Laboratoire de Physique de l' Etat Condense UMR 6087, Universite du Maine, 72085 Le Mans (France); Tigrine, R [Laboratoire de Physique et Chimie Quantique, Departement de Physique, Faculte des Sciences, Universite Mouloud Mammeri de Tizi-Ouzou, 15000 Tizi-Ouzou (Algeria)


    This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy.

  5. Ps-atom scattering at low energies

    CERN Document Server

    Fabrikant, I I


    A pseudopotential for positronium-atom interaction, based on electron-atom and positron-atom phase shifts, is constructed, and the phase shifts for Ps-Kr and Ps-Ar scattering are calculated. This approach allows us to extend the Ps-atom cross sections, obtained previously in the impulse approximation [Phys. Rev. Lett. 112, 243201 (2014)], to energies below the Ps ionization threshold. Although experimental data are not available in this low-energy region, our results describe well the tendency of the measured cross sections to drop with decreasing velocity at $v<1$ a.u. Our results show that the effect of the Ps-atom van der Waals interaction is weak compared to the polarization interaction in electron-atom and positron-atom scattering. As a result, the Ps scattering length for both Ar and Kr is positive, and the Ramsauer-Townsend minimum is not observed for Ps scattering from these targets. This makes Ps scattering quite different from electron scattering in the low-energy region, in contrast to the inter...

  6. Could Atomic clocks be affected by neutrinos?

    CERN Document Server

    Hanafi, Hanaa


    An atomic clock is a clock device that uses an electronic transition frequency of the electromagnetic spectrum of atoms as a frequency standard in order to derive a time standard since time is the reciprocal of frequency. If the electronic transition frequencies are in an "optical region", we are talking in this case about optical atomic clocks. If they are in an "microwave region" these atomic clocks are made of the metallic element cesium so they are called Cesium atomic clocks. Atomic clocks are the most accurate time and frequency standards known despite the different perturbations that can affect them, a lot of researches were made in this domain to show how the transitions can be different for different type of perturbations..Since atomic clocks are very sensitive devices, based on coherent states (A coherent state tends to loose coherence after interacting). One question can arise (from a lot of questions) which is why cosmic neutrinos are not affecting these clocks? The answer to this question requir...

  7. Storing Information in Single Atom Magnets (United States)

    Natterer, Fabian; Yang, Kai; Paul, William; Wilke, Philip; Choi, Taeyoung; Greber, Thomas; Heinrich, Andreas J.; Lutz, Chris P.

    In a Gedankenexperiment about shrinking the size of a magnetic bit, the single atom magnet is the natural limit. Previous experimental efforts reached a size of few atoms per individually addressable magnetic bit, but a recent report of magnetic remanence for ensembles of holmium (Ho) atoms on magnesium oxide (MgO) promised a path toward stable magnetic bits at the atomic limit. It remained unclear, however, how to access the individual magnetic centers. Here we demonstrate the reading and writing of individual Ho atoms on MgO, and show that they independently retain their magnetic information over several hours. We read the Ho states by tunnel magnetoresistance and write with current pulses using a scanning tunneling microscope. We prove magnetic origin of the long-lived states by single-atom electron spin resonance (ESR) and measure a large magnetic moment of (10.1 +/-0.1) Bohr magnetons. The high magnetic stability combined with electrical reading and writing shows that single atom magnetic memory has become a physical reality. SNF Ambizione Grant PZ00P2 167965.

  8. Theoretical Insight into Shocked Gases

    Energy Technology Data Exchange (ETDEWEB)

    Leiding, Jeffery Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    I present the results of statistical mechanical calculations on shocked molecular gases. This work provides insight into the general behavior of shock Hugoniots of gas phase molecular targets with varying initial pressures. The dissociation behavior of the molecules is emphasized. Impedance matching calculations are performed to determine the maximum degree of dissociation accessible for a given flyer velocity as a function of initial gas pressure.

  9. Atomic-structural synergy for catalytic CO oxidation over palladium-nickel nanoalloys. (United States)

    Shan, Shiyao; Petkov, Valeri; Yang, Lefu; Luo, Jin; Joseph, Pharrah; Mayzel, Dina; Prasai, Binay; Wang, Lingyan; Engelhard, Mark; Zhong, Chuan-Jian


    Alloying palladium (Pd) with other transition metals at the nanoscale has become an important pathway for preparation of low-cost, highly active and stable catalysts. However, the lack of understanding of how the alloying phase state, chemical composition and atomic-scale structure of the alloys at the nanoscale influence their catalytic activity impedes the rational design of Pd-nanoalloy catalysts. This work addresses this challenge by a novel approach to investigating the catalytic oxidation of carbon monoxide (CO) over palladium-nickel (PdNi) nanoalloys with well-defined bimetallic composition, which reveals a remarkable maximal catalytic activity at Pd:Ni ratio of ~50:50. Key to understanding the structural-catalytic synergy is the use of high-energy synchrotron X-ray diffraction coupled to atomic pair distribution function (HE-XRD/PDF) analysis to probe the atomic structure of PdNi nanoalloys under controlled thermochemical treatments and CO reaction conditions. Three-dimensional (3D) models of the atomic structure of the nanoalloy particles were generated by reverse Monte Carlo simulations (RMC) guided by the experimental HE-XRD/PDF data. Structural details of the PdNi nanoalloys were extracted from the respective 3D models and compared with the measured catalytic properties. The comparison revealed a strong correlation between the phase state, chemical composition and atomic-scale structure of PdNi nanoalloys and their catalytic activity for CO oxidation. This correlation is further substantiated by analyzing the first atomic neighbor distances and coordination numbers inside the nanoalloy particles and at their surfaces. These findings have provided new insights into the structural synergy of nanoalloy catalysts by controlling the phase state, composition and atomic structure, complementing findings of traditional density functional theory studies.

  10. The ALADDIN atomic physics database system (United States)

    Hulse, Russell A.


    ALADDIN is an atomic physics database system which has been developed in order to provide a broadly-based standard medium for the exchange and management of atomic data. ALADDIN consists of a data format definition together with supporting software for both interactive searches as well as for access to the data by plasma modeling and other codes. 8AB The ALADDIN system is designed to offer maximum flexibility in the choice of data representations and labeling schemes, so as to support a wide range of atomic physics data types and allow natural evolution and modification of the database as needs change. Associated dictionary files are included in the ALADDIN system for data documentation. The importance of supporting the widest possible user community was also central to be ALADDIN design, leading to the use of straightforward text files with concatentated data entries for the file structure, and the adoption of strict FORTRAN 77 code for the supporting software. This will allow ready access to the ALADDIN system on the widest range of scientific computers, and easy interfacing with FORTRAN modeling codes, user developed atomic physics codes and database, etc. This supporting software consists of the ALADDIN interactive searching and data display code, together with the ALPACK subroutine package which provides ALADDIN datafile searching and data retrieval capabilities to user's codes. ALADDIN has been adopted as the standard international atomic physics data exchange format for magnetic confinement fusion applications by the International Atomic Energy Agency (IAEA). Entry of critically evaluated atomic data sets into ALADDIN format is to be coordinated by the IAEA atomic and Molecular Data Unit, which will also coordinate long-term development and distribution of updated software and documentation. The increasingly widespread adoption of the ALADDIN data format can be expected to greatly facilitate access to atomic data both within and outside of this original

  11. 1984 Bibliography of atomic and molecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.; Griffin, P.M.; Havener, C.C.; Howard, A.M.; Kirkpatrick, M.I.; McDaniel, E.W.; Meyer, F.W.; Morgan, T.J. (comps.)


    This annotated bibliography includes papers on atomic and molecular processes published during 1984. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  12. Cold Light from Hot Atoms and Molecules (United States)

    Lister, Graeme; Curry, John J.


    The introduction of rare earth atoms and molecules into lighting discharges led to great advances in efficacy of these lamps. Atoms such as Dy, Ho and Ce provide excellent radiation sources for lighting applications, with rich visible spectra, such that a suitable combination of these elements can provide high quality white light. Rare earth molecules have also proved important in enhancing the radiation spectrum from phosphors in fluorescent lamps. This paper reviews some of the current aspects of lighting research, particularly rare earth chemistry and radiation, and the associated fundamental atomic and molecular data.

  13. 1985 bibliography of atomic and molecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.; Griffin, P.M.; Havener, C.C.; Howald, A.M.; Kirkpatrick, M.I.; McDaniel, E.W.; Meyer, F.W.; Morgan, T.J. (comps.)


    This annotated bibliography includes papers on atomic and molecular processes published during 1985. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  14. 1982 bibliography of atomic and molecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Gregory, D.C.; Kirkpatrick, M.I.; McDaniel, E.W.; McKnight, R.H.; Meyer, F.W.; Morgan, T.J.; Phaneuf, R.A. (comps.)


    This annotated bibliography includes papers on atomic and molecular processes published during 1982. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  15. Bibliography of atomic and molecular processes, 1983

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Gregory, D.C.; Kirkpatrick, M.I.; McDaniel, E.W.; McKnight, R.H.; Meyer, F.W.; Morgan, T.J.; Phaneuf, R.A. (comps.)


    This annotated bibliography includes papers on atomic and molecular processes published during 1983. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

  16. The Manhattan Project: Making the atomic bomb

    Energy Technology Data Exchange (ETDEWEB)

    Gosling, F.G.


    This article is a short history of the origins and development of the American atomic bomb program during World War II. Beginning with the scientific developments of the pre-war years, the monograph details the role of US government in conducting a secret, nationwide enterprise that took science from the laboratory and into combat with an entirely new type of weapon. The monograph concludes with a discussion of the immediate postwar period, the debate over the Atomic Energy Act of 1946, and the founding of the Atomic Energy Commission.

  17. The Britannica guide to the atom

    CERN Document Server

    Gregersen, Erik


    Common to all matter and its smallest and most fundamental unit, the atom determines the properties of a substance and how it responds to other materials and stimuli. Dividing the atom further reveals several smaller particles whose activity forms the heart of nuclear physics. Readers will discover the structure of the atom as well as the ways in which its electrons, protons, and neutrons facilitate both radioactivity and nuclear reactions, both of which have been crucial to technological advancements since the 20th century.

  18. Scattering theory of molecules, atoms and nuclei

    CERN Document Server

    Canto, L Felipe


    The aim of the book is to give a coherent and comprehensive account of quantum scattering theory with applications to atomic, molecular and nuclear systems. The motivation for this is to supply the necessary theoretical tools to calculate scattering observables of these many-body systems. Concepts which are seemingly different for atomic/molecular scattering from those of nuclear systems, are shown to be the same once physical units such as energy and length are diligently clarified. Many-body resonances excited in nuclear systems are the same as those in atomic systems and come under the name

  19. Anomalous atomic volume of alpha-Pu

    DEFF Research Database (Denmark)

    Kollar, J.; Vitos, Levente; Skriver, Hans Lomholt


    We have performed full charge-density calculations for the equilibrium atomic volumes of the alpha-phase light actinide metals using the local density approximation (LDA) and the generalized gradient approximation (GGA). The average deviation between the experimental and the GGA atomic radii is 1.......3%. The comparison between the LDA and GGA results show that the anomalously large atomic volume of alpha-Pu relative to alpha-Np can be ascribed to exchange-correlation effects connected with the presence of low coordinated sites in the structure where the f electrons are close to the onset of localization...

  20. Plasmas applied atomic collision physics, v.2

    CERN Document Server

    Barnett, C F


    Applied Atomic Collision Physics, Volume 2: Plasmas covers topics on magnetically confined plasmas. The book starts by providing the history of fusion research and describing the various approaches in both magnetically and inertially confined plasmas. The text then gives a general discussion of the basic concepts and properties in confinement and heating of a plasma. The theory of atomic collisions that result in excited quantum states, particularly highly ionized impurity atoms; and diverse diagnostic topics such as emission spectra, laser scattering, electron cyclotron emission, particle bea

  1. Atomic White-Out: Enabling Atomic Circuitry through Mechanically Induced Bonding of Single Hydrogen Atoms to a Silicon Surface. (United States)

    Huff, Taleana R; Labidi, Hatem; Rashidi, Mohammad; Koleini, Mohammad; Achal, Roshan; Salomons, Mark H; Wolkow, Robert A


    We report the mechanically induced formation of a silicon-hydrogen covalent bond and its application in engineering nanoelectronic devices. We show that using the tip of a noncontact atomic force microscope (NC-AFM), a single hydrogen atom could be vertically manipulated. When applying a localized electronic excitation, a single hydrogen atom is desorbed from the hydrogen-passivated surface and can be transferred to the tip apex, as evidenced from a unique signature in frequency shift curves. In the absence of tunnel electrons and electric field in the scanning probe microscope junction at 0 V, the hydrogen atom at the tip apex is brought very close to a silicon dangling bond, inducing the mechanical formation of a silicon-hydrogen covalent bond and the passivation of the dangling bond. The functionalized tip was used to characterize silicon dangling bonds on the hydrogen-silicon surface, which was shown to enhance the scanning tunneling microscope contrast, and allowed NC-AFM imaging with atomic and chemical bond contrasts. Through examples, we show the importance of this atomic-scale mechanical manipulation technique in the engineering of the emerging technology of on-surface dangling bond based nanoelectronic devices.

  2. Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy? (United States)

    Rittenhouse, Robert C.


    The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

  3. Atom-by-atom structural and chemical analysis by annular dark-field electron microscopy. (United States)

    Krivanek, Ondrej L; Chisholm, Matthew F; Nicolosi, Valeria; Pennycook, Timothy J; Corbin, George J; Dellby, Niklas; Murfitt, Matthew F; Own, Christopher S; Szilagyi, Zoltan S; Oxley, Mark P; Pantelides, Sokrates T; Pennycook, Stephen J


    Direct imaging and chemical identification of all the atoms in a material with unknown three-dimensional structure would constitute a very powerful general analysis tool. Transmission electron microscopy should in principle be able to fulfil this role, as many scientists including Feynman realized early on. It images matter with electrons that scatter strongly from individual atoms and whose wavelengths are about 50 times smaller than an atom. Recently the technique has advanced greatly owing to the introduction of aberration-corrected optics. However, neither electron microscopy nor any other experimental technique has yet been able to resolve and identify all the atoms in a non-periodic material consisting of several atomic species. Here we show that annular dark-field imaging in an aberration-corrected scanning transmission electron microscope optimized for low voltage operation can resolve and identify the chemical type of every atom in monolayer hexagonal boron nitride that contains substitutional defects. Three types of atomic substitutions were found and identified: carbon substituting for boron, carbon substituting for nitrogen, and oxygen substituting for nitrogen. The substitutions caused in-plane distortions in the boron nitride monolayer of about 0.1 A magnitude, which were directly resolved, and verified by density functional theory calculations. The results demonstrate that atom-by-atom structural and chemical analysis of all radiation-damage-resistant atoms present in, and on top of, ultra-thin sheets has now become possible.

  4. First-Order Quantum Phase Transition for Dicke Model Induced by Atom-Atom Interaction (United States)

    Zhao, Xiu-Qin; Liu, Ni; Liang, Jiu-Qing


    In this article, we use the spin coherent state transformation and the ground state variational method to theoretically calculate the ground function. In order to consider the influence of the atom-atom interaction on the extended Dicke model’s ground state properties, the mean photon number, the scaled atomic population and the average ground energy are displayed. Using the self-consistent field theory to solve the atom-atom interaction, we discover the system undergoes a first-order quantum phase transition from the normal phase to the superradiant phase, but a famous Dicke-type second-order quantum phase transition without the atom-atom interaction. Meanwhile, the atom-atom interaction makes the phase transition point shift to the lower atom-photon collective coupling strength. Supported by the National Natural Science Foundation of China under Grant Nos. 11275118, 11404198, 91430109, 61505100, 51502189, and the Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi Province (STIP) under Grant No. 2014102, and the Launch of the Scientific Research of Shanxi University under Grant No. 011151801004, and the National Fundamental Fund of Personnel Training under Grant No. J1103210. The Natural Science Foundation of Shanxi Province under Grant No. 2015011008

  5. Suprathermal oxygen atoms in the Martian upper atmosphere: Contribution of the proton and hydrogen atom precipitation (United States)

    Shematovich, V. I.


    This is a study of the kinetics and transport of hot oxygen atoms in the transition region (from the thermosphere to the exosphere) of the Martian upper atmosphere. It is assumed that the source of the hot oxygen atoms is the transfer of momentum and energy in elastic collisions between thermal atmospheric oxygen atoms and the high-energy protons and hydrogen atoms precipitating onto the Martian upper atmosphere from the solar-wind plasma. The distribution functions of suprathermal oxygen atoms by the kinetic energy are calculated. It is shown that the exosphere is populated by a large number of suprathermal oxygen atoms with kinetic energies up to the escape energy 2 eV; i.e., a hot oxygen corona is formed around Mars. The transfer of energy from the precipitating solar-wind plasma protons and hydrogen atoms to the thermal oxygen atoms leads to the formation of an additional nonthermal escape flux of atomic oxygen from the Martian atmosphere. The precipitation-induced escape flux of hot oxygen atoms may become dominant under the conditions of extreme solar events, such as solar flares and coronal mass ejections, as shown by recent observations onboard NASA's MAVEN spacecraft (Jakosky et al., 2015).

  6. Improving the Accuracy of Fitted Atomic Models in Cryo-EM Density Maps of Protein Assemblies Using Evolutionary Information from Aligned Homologous Proteins. (United States)

    Rakesh, Ramachandran; Srinivasan, Narayanaswamy


    Cryo-Electron Microscopy (cryo-EM) has become an important technique to obtain structural insights into large macromolecular assemblies. However the resolution of the density maps do not allow for its interpretation at atomic level. Hence they are combined with high resolution structures along with information from other experimental or bioinformatics techniques to obtain pseudo-atomic models. Here, we describe the use of evolutionary conservation of residues as obtained from protein structures and alignments of homologous proteins to detect errors in the fitting of atomic structures as well as improve accuracy of the protein-protein interfacial regions in the cryo-EM density maps.

  7. Giant atom smasher on hunt for "Sparticles"

    CERN Multimedia

    Moskowitz, Clara


    "Squarks, photinos, selectrons, neutralinos: these are just a few types of supersymmetrice particles, a special brand of particle that may be created when the world's most powerful atom smasher goes online this spring." (1 page)

  8. Stochastic analysis/synthesis using sinusoidal atoms

    DEFF Research Database (Denmark)

    Jensen, Kristoffer


    This work proposes a method for re-synthesizing music for use in perceptual experiments regarding structural changes and in music creation. Atoms are estimated from music audio, modelled in a stochastic model, and re-synthesized from the model pa- rameters. The atoms are found by splitting...... sinusoids into short segments, and modelled into amplitude and envelope shape, frequency, time and duration. A simple model for creating envelopes with percussive, sustained or crescendo shape is presented. Single variable and joint probability density functions are created from the atom parameters and used...... to re-create sounds with the same distribution of the atoms parameters. A novel method for visualization music, the musigram, permits a better understanding of the re- synthesized sounds....

  9. A History of the Atomic Energy Commission (United States)

    Buck, Alice L.


    This pamphlet traces the history of the US Atomic Energy Commission's twenty-eight year stewardship of the Nation's nuclear energy program, from the signing of the Atomic Energy Act on August 1, 1946 to the signing of the Energy Reorganization Act on October 11, 1974. The Commission's early concentration on the military atom produced sophisticated nuclear weapons for the Nation's defense and made possible the creation of a fleet of nuclear submarines and surface ships. Extensive research in the nuclear sciences resulted in the widespread application of nuclear technology for scientific, medical and industrial purposes, while the passage of the Atomic Energy Act of 1954 made possible the development of a nuclear industry, and enabled the United States to share the new technology with other nations.

  10. An Introduction to Atomic Layer Deposition (United States)

    Dwivedi, Vivek H.


    Atomic Layer Deposition has been instrumental in providing a deposition method for multiple space flight applications. It is well known that ALD is a cost effective nanoadditive-manufacturing technique that allows for the conformal coating of substrates with atomic control in a benign temperature and pressure environment. Through the introduction of paired precursor gases, thin films can be deposited on a myriad of substrates from flat surfaces to those with significant topography. By providing atomic layer control, where single layers of atoms can be deposited, the fabrication of metal transparent films, precise nano-laminates, and coatings of nano-channels, pores and particles is achievable. The feasibility of this technology for NASA line of business applications range from thermal systems, optics, sensors, to environmental protection. An overview of this technology will be presented.

  11. Imaging enzyme kinetics at atomic resolution


    Spence, John; Lattman, Eaton


    Serial crystallography at a synchrotron has been used to obtain time-resolved atomic resolution density maps of enzyme catalysis in copper nitrite reductase. Similar XFEL studies, intended to out-run radiation damage, will also soon appear.

  12. Frederick National Laboratory's Contribution to ATOM | FNLCR (United States)

    As a founding member organization of ATOM, the Frederick National Laboratory will contribute scientific expertise in precision oncology, computational chemistry and cancer biology, as well as support for open sharing of data sets and predictive model

  13. Highly Dense Isolated Metal Atom Catalytic Sites

    DEFF Research Database (Denmark)

    Chen, Yaxin; Kasama, Takeshi; Huang, Zhiwei


    Atomically dispersed noble-metal catalysts with highly dense active sites are promising materials with which to maximise metal efficiency and to enhance catalytic performance; however, their fabrication remains challenging because metal atoms are prone to sintering, especially at a high metal...... loading. A dynamic process of formation of isolated metal atom catalytic sites on the surface of the support, which was achieved starting from silver nanoparticles by using a thermal surface-mediated diffusion method, was observed directly by using in situ electron microscopy and in situ synchrotron X......-ray diffraction. A combination of electron microscopy images with X-ray absorption spectra demonstrated that the silver atoms were anchored on five-fold oxygen-terminated cavities on the surface of the support to form highly dense isolated metal active sites, leading to excellent reactivity in catalytic oxidation...

  14. Simulations of atomic-scale sliding friction

    DEFF Research Database (Denmark)

    Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Stoltze, Per


    Simulation studies of atomic-scale sliding friction have been performed for a number of tip-surface and surface-surface contacts consisting of copper atoms. Both geometrically very simple tip-surface structures and more realistic interface necks formed by simulated annealing have been studied....... Kinetic friction is observed to be caused by atomic-scale Stick and slip which occurs by nucleation and subsequent motion of dislocations preferably between close-packed {111} planes. Stick and slip seems ro occur in different situations. For single crystalline contacts without grain boundaries...... pinning of atoms near the boundary of the interface and is therefore more easily observed for smaller contacts. Depending on crystal orientation and load, frictional wear can also be seen in the simulations. In particular, for the annealed interface-necks which model contacts created by scanning tunneling...

  15. Atom interferometry using a shaken optical lattice (United States)

    Weidner, C. A.; Yu, Hoon; Kosloff, Ronnie; Anderson, Dana Z.


    We introduce shaken lattice interferometry with atoms trapped in a one-dimensional optical lattice. By phase modulating (shaking) the lattice, we control the momentum state of the atoms. Through a sequence of shaking functions, the atoms undergo an interferometer sequence of splitting, propagation, reflection, reverse propagation, and recombination. Each shaking function in the sequence is optimized with a genetic algorithm to achieve the desired momentum state transitions. As with conventional atom interferometers, the sensitivity of the shaken lattice interferometer increases with interrogation time. The shaken lattice interferometer may also be optimized to sense signals of interest while rejecting others, such as the measurement of an ac inertial signal in the presence of an unwanted dc signal.

  16. Gravitational Wave Detection with Atom Interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Dimopoulos, Savas; /Stanford U., Phys. Dept.; Graham, Peter W.; /SLAC /Stanford U., Phys. Dept.; Hogan, Jason M.; Kasevich, Mark A.; /Stanford U., Phys. Dept.; Rajendran, Surjeet; /SLAC /Stanford U., Phys. Dept.


    We propose two distinct atom interferometer gravitational wave detectors, one terrestrial and another satellite-based, utilizing the core technology of the Stanford 10m atom interferometer presently under construction. The terrestrial experiment can operate with strain sensitivity {approx} 10{sup -19}/{radical}Hz in the 1 Hz-10 Hz band, inaccessible to LIGO, and can detect gravitational waves from solar mass binaries out to megaparsec distances. The satellite experiment probes the same frequency spectrum as LISA with better strain sensitivity {approx} 10{sup -20}/{radical}Hz. Each configuration compares two widely separated atom interferometers run using common lasers. The effect of the gravitational waves on the propagating laser field produces the main effect in this configuration and enables a large enhancement in the gravitational wave signal while significantly suppressing many backgrounds. The use of ballistic atoms (instead of mirrors) as inertial test masses improves systematics coming from vibrations and acceleration noise, and reduces spacecraft control requirements.

  17. [Atomic force microscopy involved in protein study]. (United States)

    Lu, Zhengjian; Chen, Guoping; Wang, Jianhua


    Atomic force microscopy is a rather new type of nano microscopic technology. It has some advantages, such as high resolution (sub-nano scale); avoidance of special sample preparation; real-time detection of samples under nearly physiological environment; in situ study of samples under water environment; feasibility of investigating physical and chemical properties of samples at molecular level, etc. In recent years, the application of atomic force microscopy in protein study has brought about outstanding achievements. In this paper are introduced the principle and operation modes of atomic force microscopy, also presented are its application in protein imaging, adsorption, folding-and-unfolding, assembly, and single molecular recognition. Additionally, the future application of atomic force microscopy in protein study is prospected.

  18. REVIEW ARTICLE: Fast light in atomic media (United States)

    Akulshin, Alexander M.; McLean, Russell J.


    Atomic media have played a major role in studies of fast light. One of their attractive features is the ability to manipulate experimental parameters to control the dispersive properties that determine the group velocity of a propagating light pulse. We give an overview of the experimental methods, based on both linear and nonlinear atom-light interaction, that have produced superluminal propagation in atomic media, and discuss some of the significant theoretical contributions to the issues of pulse preservation and reconciling faster-than-light propagation and the principle of causality. The comparison of storage of light, enhanced Kerr nonlinearity and efficient wave mixing processes in slow and fast light atomic media illustrates their common and distinct features.

  19. Atomic physics: Cold gases venture into Flatland (United States)

    Burnett, Keith


    Vortex structures have revealed a lot about the nature of three-dimensional Bose-Einstein condensates. They play an even bigger part in two-dimensional cold atomic gases and drive a fundamentally different phase transition.

  20. Jobs in the Atomic Energy Field (United States)

    Occupational Outlook Quarterly, 1974


    According to a recent government survey, employment in privately-owned atomic energy facilities now exceeds employment in government facilities. In this field, engineers, scientists, technicians, and craft workers account for the highest proportion of total employment. (MW)