WorldWideScience

Sample records for atomic scale magnetometry

  1. Atomic-scale magnetometry of distant nuclear spin clusters via nitrogen-vacancy spin in diamond.

    Science.gov (United States)

    Zhao, Nan; Hu, Jian-Liang; Ho, Sai-Wah; Wan, Jones T K; Liu, R B

    2011-04-01

    The detection of single nuclear spins is an important goal in magnetic resonance spectroscopy. Optically detected magnetic resonance can detect single nuclear spins that are strongly coupled to an electron spin, but the detection of distant nuclear spins that are only weakly coupled to the electron spin has not been considered feasible. Here, using the nitrogen-vacancy centre in diamond as a model system, we numerically demonstrate that it is possible to detect two or more distant nuclear spins that are weakly coupled to a centre electron spin if these nuclear spins are strongly bonded to each other in a cluster. This cluster will stand out from other nuclear spins by virtue of characteristic oscillations imprinted onto the electron spin decoherence profile, which become pronounced under dynamical decoupling control. Under many-pulse dynamical decoupling, the centre electron spin coherence can be used to measure nuclear magnetic resonances of single molecules. This atomic-scale magnetometry should improve the performance of magnetic resonance spectroscopy for applications in chemical, biological, medical and materials research, and could also have applications in solid-state quantum computing. PMID:21358646

  2. Wide range and highly sensitive atomic magnetometry with Rb vapor

    CERN Document Server

    Iftiquar, S M

    2007-01-01

    We have developed a technique in which Rb atomic response to weak magnetic field is high and an efficient rotation of linearly polarized laser beam results in efficient magnetometry. 85Rb isotope has been used for the magnetometry in an ordinary vapor cell without any paraffin coating to its inner wall. A linear regime of Faraday rotation of about 25 microT has been observed with atomic number density within the vapor cell of about 10^9 cm-3.

  3. Optical atomic magnetometry for magnetic induction tomography of the heart

    CERN Document Server

    Deans, Cameron; Hussain, Sarah; Renzoni, Ferruccio

    2016-01-01

    We report on the use of radio-frequency optical atomic magnetometers for magnetic induction tomography measurements. We demonstrate the imaging of dummy targets of varying conductivities placed in the proximity of the sensor, in an unshielded environment at room-temperature and without background subtraction. The images produced by the system accurately reproduce the characteristics of the actual objects. Furthermore, we perform finite element simulations in order to assess the potential for measuring low-conductivity biological tissues with our system. Our results demonstrate the feasibility of an instrument based on optical atomic magnetometers for magnetic induction tomography imaging of biological samples, in particular for mapping anomalous conductivity in the heart.

  4. Simulating narrow nonlinear resonance features for magnetometry in compact cold atom systems

    Science.gov (United States)

    Meyer, David; Robinson, Jenn; Kunz, Paul; Quraishi, Qudsia

    2015-05-01

    We are investigating cold atom magnetometry applications and have developed a numeric model of Electromagnetically Induced Absorption (EIA) and Nonlinear Magneto-Optical Rotation (NMOR) for degenerate two-level systems. While most EIA and NMOR research is done in warm vapors, cold atoms avoid Doppler broadening and better isolate the various optical pumping mechanisms involved. Our model focuses on the effect of transverse magnetic fields on both EIA and NMOR features and shows that critical points of both yield quantitative measures of the magnitude and direction of the transverse field. This dependence reveals the underlying optical pumping mechanisms and makes possible a single, in-situ measurement of the background magnetic field zero to the sub-milligauss level, reducing background fields to enhance sub-Doppler cooling and collectively-enhanced neutral-atom quantum memory lifetimes. Separately, we are pursuing experimental measurements on the relationship between EIA and NMOR in a compact cold atom apparatus. To improve the system's capabilities we are designing our next-generation atom chip to reduce system size and employ versatile geometries enabling multi-site trapping.

  5. SQUID magnetometry from nanometer to centimeter length scales

    Energy Technology Data Exchange (ETDEWEB)

    Hatridge, Michael J. [Univ. of California, Berkeley, CA (United States)

    2010-06-01

    The development of Superconducting QUantum Interference Device (SQUID)-based magnetometer for two applications, in vivo prepolarized, ultra-low field MRI of humans and dispersive readout of SQUIDs for micro- and nano-scale magnetometery, are the focus of this thesis.

  6. SQUID magnetometry from nanometer to centimeter length scales

    International Nuclear Information System (INIS)

    The development of Superconducting QUantum Interference Device (SQUID)-based magnetometer for two applications, in vivo prepolarized, ultra-low field MRI of humans and dispersive readout of SQUIDs for micro- and nano-scale magnetometery, are the focus of this thesis.

  7. SQUID magnetometry from nanometer to centimeter length scales

    Energy Technology Data Exchange (ETDEWEB)

    Hatridge, Michael J.

    2010-06-28

    The development of Superconducting QUantum Interference Device (SQUID)-based magnetometer for two applications, in vivo prepolarized, ultra-low field MRI of humans and dispersive readout of SQUIDs for micro- and nano-scale magnetometery, are the focus of this thesis.

  8. Nuclear spin pair coherence in diamond for atomic scale magnetometry

    OpenAIRE

    Zhao, Nan; Hu, Jian-Liang; Ho, Sai-Wah; Wen, Tsz-Kai; Liu, R. B.

    2010-01-01

    The nitrogen-vacancy (NV) centre, as a promising candidate solid state system of quantum information processing, its electron spin coherence is influenced by the magnetic field fluctuations due to the local environment. In pure diamonds, the environment consists of hundreds of C-13 nuclear spins randomly spreading in several nanometers range forming a spin bath. Controlling and prolonging the electron spin coherence under the influence of spin bath are challenging tasks for the quantum inform...

  9. Atomic Scale Plasmonic Switch

    OpenAIRE

    Emboras, A.; Niegemann, J.; Ma, P; Haffner, C; Pedersen, A.; Luisier, M.; Hafner, C; Schimmel, T.; Leuthold, J.

    2016-01-01

    The atom sets an ultimate scaling limit to Moore’s law in the electronics industry. While electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling, similar to electronics, is only limited by the atom. More precisely, we introduce an electrically controlled plasmonic switch operating at the atomic scale. The switch allows for fast and reproducible switching by means of the relocat...

  10. M(H) dependence and size distribution of SPIONs measured by atomic magnetometry

    CERN Document Server

    Colombo, Simone; Grujic, Zoran D; Dolgovskiy, Vladimir; Weis, Antoine

    2016-01-01

    We demonstrate that the quasistatic recording of the magnetic excitation function M(H) of superparamagnetic iron oxide magnetic nanoparticle (SPION) suspensions by an atomic magnetometer allows a precise determination of the sample's iron mass content mFe and the particle size distribution.

  11. A quantitative study of particle size effects in the magnetorelaxometry of magnetic nanoparticles using atomic magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Dolgovskiy, V. [Physics Department, University of Fribourg, CH-1700 Fribourg (Switzerland); Lebedev, V., E-mail: victor.lebedev@unifr.ch [Physics Department, University of Fribourg, CH-1700 Fribourg (Switzerland); Colombo, S.; Weis, A. [Physics Department, University of Fribourg, CH-1700 Fribourg (Switzerland); Michen, B.; Ackermann-Hirschi, L. [Adolphe Merkle Institute, University of Fribourg, CH-1700 Fribourg (Switzerland); Petri-Fink, A. [Adolphe Merkle Institute, University of Fribourg, CH-1700 Fribourg (Switzerland); Chemistry Department, University of Fribourg, CH-1700 Fribourg (Switzerland)

    2015-04-01

    The discrimination of immobilised superparamagnetic iron oxide nanoparticles (SPIONs) against SPIONs in fluid environments via their magnetic relaxation behaviour is a powerful tool for bio-medical imaging. Here we demonstrate that a gradiometer of laser-pumped atomic magnetometers can be used to record accurate time series of the relaxing magnetic field produced by pre-polarised SPIONs. We have investigated dry in vitro maghemite nanoparticle samples with different size distributions (average radii ranging from 14 to 21 nm) and analysed their relaxation using the Néel–Brown formalism. Fitting our model function to the magnetorelaxation (MRX) data allows us to extract the anisotropy constant K and the saturation magnetisation M{sub S} of each sample. While the latter was found not to depend on the particle size, we observe that K is inversely proportional to the (time- and size-) averaged volume of the magnetised particle fraction. We have identified the range of SPION sizes that are best suited for MRX detection considering our specific experimental conditions and sample preparation technique. - Highlights: • We studied magnetorelaxation of magnetic nanoparticles using atomic magnetometers. • We show that atomic magnetometers yield high precision MRX data. • The observed magnetorelaxation is well described by the moment superposition model. • Model fits allow extraction of nanoparticle material parameters of six samples. • All samples exhibit an unexpected size-dependent anisotropy constant.

  12. A quantitative study of particle size effects in the magnetorelaxometry of magnetic nanoparticles using atomic magnetometry

    International Nuclear Information System (INIS)

    The discrimination of immobilised superparamagnetic iron oxide nanoparticles (SPIONs) against SPIONs in fluid environments via their magnetic relaxation behaviour is a powerful tool for bio-medical imaging. Here we demonstrate that a gradiometer of laser-pumped atomic magnetometers can be used to record accurate time series of the relaxing magnetic field produced by pre-polarised SPIONs. We have investigated dry in vitro maghemite nanoparticle samples with different size distributions (average radii ranging from 14 to 21 nm) and analysed their relaxation using the Néel–Brown formalism. Fitting our model function to the magnetorelaxation (MRX) data allows us to extract the anisotropy constant K and the saturation magnetisation MS of each sample. While the latter was found not to depend on the particle size, we observe that K is inversely proportional to the (time- and size-) averaged volume of the magnetised particle fraction. We have identified the range of SPION sizes that are best suited for MRX detection considering our specific experimental conditions and sample preparation technique. - Highlights: • We studied magnetorelaxation of magnetic nanoparticles using atomic magnetometers. • We show that atomic magnetometers yield high precision MRX data. • The observed magnetorelaxation is well described by the moment superposition model. • Model fits allow extraction of nanoparticle material parameters of six samples. • All samples exhibit an unexpected size-dependent anisotropy constant

  13. Magnetometry with millimeter-scale anti-relaxation-coated alkali-metal vapor cells

    CERN Document Server

    Balabas, M V; Kitching, J; Schwindt, P D D; Stalnaker, J E

    2005-01-01

    Dynamic nonlinear magneto-optical-rotation signals with frequency- and amplitude-modulated laser light have been observed and investigated with a spherical glass cell of 3-mm diameter containing Cs metal with inner walls coated with paraffin. Intrinsic Zeeman relaxation rates of $\\gamma/(2\\pi)\\approx 20 $Hz and lower have been observed. Favorable prospects of using millimeter-scale coated cells in portable magnetometers and secondary frequency references are discussed.

  14. Sensing and atomic-scale structure analysis of single nuclear spin clusters in diamond

    OpenAIRE

    Shi, Fazhan; Kong, Xi; Wang, Pengfei; Kong, Fei; Zhao, Nan; Liu, Ren-Bao; Du, Jiangfeng

    2013-01-01

    Single-molecule nuclear magnetic resonance (NMR) is a crown-jewel challenge in the field of magnetic resonance spectroscopy and has important applications in chemical analysis and in quantum computing. Recently, it becomes possible to tackle this grand challenge thanks to experimental advances in preserving quantum coherence of nitrogen-vacancy (NV) center spins in diamond as a sensitive probe and theoretical proposals on atomic-scale magnetometry via dynamical decoupling control. Through dec...

  15. Remote Nanodiamond Magnetometry

    CERN Document Server

    Ruan, Yinlan; Jeske, Jan; Ebendorff-Heidepriem, Heike; Lau, Desmond W M; Ji, Hong; Johnson, Brett C; Ohshima, Takeshi; V., Shahraam Afshar; Hollenberg, Lloyd; Greentree, Andrew D; Monro, Tanya M; Gibson, Brant C

    2016-01-01

    Optical fibres have transformed the way people interact with the world and now permeate many areas of science. Optical fibres are traditionally thought of as insensitive to magnetic fields, however many application areas from mining to biomedicine would benefit from fibre-based remote magnetometry devices. In this work, we realise such a device by embedding nanoscale magnetic sensors into tellurite glass fibres. Remote magnetometry is performed on magnetically active defect centres in nanodiamonds embedded into the glass matrix. Standard optical magnetometry techniques are applied to initialize and detect local magnetic field changes with a measured sensitivity of 26 micron Tesla/square root(Hz). Our approach utilizes straight-forward optical excitation, simple focusing elements, and low power components. We demonstrate remote magnetometry by direct reporting of the magnetic ground states of nitrogen-vacancy defect centres in the optical fibres. In addition, we present and describe theoretically an all-optica...

  16. Differences in elasticity of vinculin-deficient F9 cells measured by magnetometry and atomic force microscopy

    Science.gov (United States)

    Goldmann, W. H.; Galneder, R.; Ludwig, M.; Xu, W.; Adamson, E. D.; Wang, N.; Ezzell, R. M.; Ingber, D. E. (Principal Investigator)

    1998-01-01

    We have investigated a mouse F9 embryonic carcinoma cell line, in which both vinculin genes were inactivated by homologous recombination, that exhibits defective adhesion and spreading [Coll et al. (1995) Proc. Natl. Acad. Sci. USA 92, 9161-9165]. Using a magnetometer and RGD-coated magnetic microbeads, we measured the local effect of loss and replacement of vinculin on mechanical force transfer across integrins. Vinculin-deficient F9Vin(-/-) cells showed a 21% difference in relative stiffness compared to wild-type cells. This was restored to near wild-type levels after transfection and constitutive expression of increasing amounts of vinculin into F9Vin(-/-) cells. In contrast, the transfection of vinculin constructs deficient in amino acids 1-288 (containing the talin- and alpha-actinin-binding site) or substituting tyrosine for phenylalanine (phosphorylation site, amino acid 822) in F9Vin(-/-) cells resulted in partial restoration of stiffness. Using atomic force microscopy to map the relative elasticity of entire F9 cells by 128 x 128 (n = 16,384) force scans, we observed a correlation with magnetometer measurements. These findings suggest that vinculin may promote cell adhesions and spreading by stabilizing focal adhesions and transferring mechanical stresses that drive cytoskeletal remodeling, thereby affecting the elastic properties of the cell.

  17. The Swarm Magnetometry Package

    DEFF Research Database (Denmark)

    Merayo, José M.G.; Jørgensen, John Leif; Friis-Christensen, Eigil;

    2008-01-01

    The Swarm mission under the ESA's Living Planet Programme is planned for launch in 2010 and consists of a constellation of three satellites at LEO. The prime objective of Swarm is to measure the geomagnetic field with unprecedented accuracy in space and time. The magnetometry package consists...

  18. Magnetometry with Mesospheric Sodium

    CERN Document Server

    Higbie, J M; Patton, B; Holzlöhner, R; Calia, D Bonaccini; Budker, D

    2009-01-01

    Measurement of magnetic fields on the few-hundred-kilometer length scale is significant for a variety of geophysical applications including mapping of crustal magnetism and ocean-circulation measurements, yet available techniques for such measurements are very expensive or of limited accuracy. We propose a scheme for remote detection of magnetic fields using the naturally occurring atomic-sodium-rich layer in the mesosphere and existing high-power lasers developed for laser guide-star applications. The proposed scheme offers dramatic reduction in cost, opening the way to large-scale magnetic mapping missions.

  19. Magnetometry with mesospheric sodium

    Science.gov (United States)

    Higbie, James M.; Rochester, Simon M.; Patton, Brian; Holzlöhner, Ronald; Bonaccini Calia, Domenico; Budker, Dmitry

    2011-01-01

    Measurement of magnetic fields on the few 100-km length scale is significant for many geophysical applications including mapping of crustal magnetism and ocean circulation measurements, yet available techniques for such measurements are very expensive or of limited accuracy. We propose a method for remote detection of magnetic fields using the naturally occurring atomic sodium-rich layer in the mesosphere and existing high-power lasers developed for laser guide star applications. The proposed method offers a dramatic reduction in cost and opens the way to large-scale, parallel magnetic mapping and monitoring for atmospheric science, navigation, and geophysics. PMID:21321235

  20. Heat dissipation in atomic-scale junctions

    OpenAIRE

    Lee, Woochul; Kim, Kyeongtae; Jeong, Wonho; Zotti, Linda Angela; Pauly, Fabian; Cuevas, Juan Carlos; Reddy, Pramod

    2013-01-01

    Atomic and single-molecule junctions represent the ultimate limit to the miniaturization of electrical circuits. They are also ideal platforms for testing quantum transport theories that are required to describe charge and energy transfer in novel functional nanometre-scale devices. Recent work has successfully probed electric and thermoelectric phenomena in atomic-scale junctions. However, heat dissipation and transport in atomic-scale devices remain poorly characterized owing to experimenta...

  1. Defining Contact at the Atomic Scale

    OpenAIRE

    Cheng, Shengfeng; Robbins, Mark O.

    2010-01-01

    Molecular dynamics simulations are used to study different definitions of contact at the atomic scale. The roles of temperature, adhesive interactions and atomic structure are studied for simple geometries. An elastic, crystalline substrate contacts a rigid, atomically flat surface or a spherical tip. The rigid surface is formed from a commensurate or incommensurate crystal or an amorphous solid. Spherical tips are made by bending crystalline planes or removing material outside a sphere. In c...

  2. Micromachined Silicon Cantilever Magnetometry.

    Science.gov (United States)

    Chaparala, M. V.

    1998-03-01

    Magnetic torque measurements give us a simple and attractive method for characterizing the anisotropic properties of magnetic materials. Silicon torque and force magnetometers have many advantages over traditional torsion fiber torque magnetometers. We have fabricated micromachined silicon torque and force magnetometers employing both capacitive(``Capacitance platform magnetometer for thin film and small crystal superconductor studies'', M. Chaparala et al.), AIP Conf. Proc. (USA), AIP Conference Proceedings, no.273, p. 407 1993. and strain dependent FET detection(``Strain Dependent Characterstics of Silicon MOSFETs and their Applications'', M. Chaparala et al.), ISDRS Conf. Proc. 1997. schemes which realize some of these gains. We will present the pros and cons of each of the different detection schemes and the associated design constraints. We have developed a feedback scheme which enables null detection thus preserving the integrity of the sample orientation. We will present a method of separating out the torque and force terms in the measured signals and will discuss the errors associated with each of the designs. Finally, we present the static magnetic torque measurements on various materials with these devices, including equilibrium properties on sub microgram specimens of superconductors, and dHvA measurements near H_c2. We will also discuss their usefulness in pulsed magnetic fields(``Cantilever magnetometry in pulsed magnetic fields", M. J. Naughton et al.), Rev. of Sci. Instrum., vol.68, p. 4061 1997..

  3. Simulations of atomic-scale sliding friction

    DEFF Research Database (Denmark)

    Sørensen, Mads Reinholdt; Jacobsen, Karsten Wedel; Stoltze, Per

    1996-01-01

    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. Ki...

  4. He I Vector Magnetometry of Field Aligned Superpenumbral Fibrils

    CERN Document Server

    Schad, T A; Lin, Haosheng

    2013-01-01

    Atomic-level polarization and Zeeman effect diagnostics in the neutral helium triplet at 10830 angstroms in principle allow full vector magnetometry of fine-scaled chromospheric fibrils. We present high-resolution spectropolarimetric observations of superpenumbral fibrils in the He I triplet with sufficient polarimetric sensitivity to infer their full magnetic field geometry. He I observations from the Facility Infrared Spectropolarimeter (FIRS) are paired with high-resolution observations of the Halpha 6563 angstroms and Ca II 8542 angstroms spectral lines from the Interferometric Bidimensional Spectrometer (IBIS) from the Dunn Solar Telescope in New Mexico. Linear and circular polarization signatures in the He I triplet are measured and described, as well as analyzed with the advanced inversion capability of the "Hanle and Zeeman Light" (HAZEL) modeling code. Our analysis provides direct evidence for the often assumed field alignment of fibril structures. The projected angle of the fibrils and the inferred ...

  5. Atomic-Scale Imprinting into Amorphous Metals

    Science.gov (United States)

    Schwarz, Udo; Li, Rui; Simon, Georg; Kinser, Emely; Liu, Ze; Chen, Zheng; Zhou, Chao; Singer, Jonathan; Osuji, Chinedum; Schroers, Jan

    Nanoimprinting by thermoplastic forming (TPF) has attracted significant attention in recent years due to its promise of low-cost fabrication of nanostructured devices. Usually performed using polymers, amorphous metals have been identified as a material class that might be even better suited for nanoimprinting due to a combination of mechanical properties and processing ability. Commonly referred to as metallic glasses, their featureless atomic structure suggests that there may not be an intrinsic size limit to the material's ability to replicate a mold. To study this hypothesis, we demonstrate atomic-scale imprinting into amorphous metals by TPF under ambient conditions. Atomic step edges of a SrTiO3 (STO) single crystal used as mold were successfully imprinted into Pt-based bulk metallic glasses (BMGs) with high fidelity. Terraces on the BMG replicas possess atomic smoothness with sub-Angstrom roughness that is identical to the one measured on the STO mold. Systematic studies revealed that the quality of the replica depends on the loading rate during imprinting, that the same mold can be used multiple times without degradation of mold or replicas, and that the atomic-scale features on as-imprinted BMG surfaces has impressive long-term stability (months).

  6. High sensitivity ancilla assisted nanoscale DC magnetometry

    Science.gov (United States)

    Liu, Yixiang; Ajoy, Ashok; Marseglia, Luca; Saha, Kasturi; Cappellaro, Paola

    2016-05-01

    Sensing slowly varying magnetic fields are particularly relevant to many real world scenarios, where the signals of interest are DC or close to static. Nitrogen Vacancy (NV) centers in diamond are a versatile platform for such DC magnetometry on nanometer length scales. Using NV centers, the standard technique for measuring DC magnetic fields is via the Ramsey protocol, where sensitivities can approach better than 1 μ T/vHz, but are limited by the sensor fast dephasing time T2*. In this work we instead present a method of sensing DC magnetic fields that is intrinsically limited by the much longer T2 coherence time. The method exploits a strongly-coupled ancillary nuclear spin to achieve high DC field sensitivities potentially exceeding that of the Ramsey method. In addition, through this method we sense the perpendicular component of the DC magnetic field, which in conjunction with the parallel component sensed by the Ramsey method provides a valuable tool for vector DC magnetometry at the nanoscale.

  7. Atomic-scale friction : thermal effects and capillary condensation

    NARCIS (Netherlands)

    Jinesh, Kochupurackal Balakrishna Pillai

    2006-01-01

    This work entitled as "Atomic-scale friction: thermal effects and capillary condensation" is a study on the fundamental aspects of the origin of friction from the atomic-scale. We study two realistic aspects of atomic-scale friction, namely the effect of temperature and the effect of relative humidi

  8. Plasmon resonances in atomic-scale gaps

    CERN Document Server

    Kern, Johannes; Tarakina, Nadezda V; Häckel, Tim; Emmerling, Monika; Kamp, Martin; Huang, Jer-Shing; Biagioni, Paolo; Prangsma, Jord C; Hecht, Bert

    2011-01-01

    Gap modes in resonant plasmonic nanostructures exhibit optical fields whose spatial confinement and near-field enhancement strongly increases for smaller gaps[1]. In the context of augmented light-matter interaction, gap modes are of high interest for various applications such as single-emitter spectroscopy[2-4], quantum optics[5,6], extreme nonlinear optics[7,8], efficient optical switching[9], optical trapping10, and molecular opto-electronics[11]. By means of reproducible self-assembly we have obtained side-by-side aligned gold nanorod dimers with robust gaps reaching well below 0.5 nm. For such atomic-scale gaps extreme splitting of the symmetric and anti-symmetric dimer eigenmodes of more than 800 meV is observed in white-light scattering experiments. Besides providing evidence for atomic-scale gap modes at visible wavelengths with correspondingly small mode volumes and strong field enhancement, our experimental results can serve as a benchmark for electromagnetic modeling beyond local Maxwell theory[12,...

  9. Nuclear reactor materials at the atomic scale

    Directory of Open Access Journals (Sweden)

    Emmanuelle A. Marquis

    2009-11-01

    Full Text Available With the renewed interest in nuclear energy, developing new materials able to respond to the stringent requirements of the next-generation fission and future fusion reactors has become a priority. An efficient search for such materials requires detailed knowledge of material behaviour under irradiation, high temperatures and corrosive environments. Minimizing the rates of materials degradation will be possible only if the mechanisms by which it occurs are understood. Atomic-scale experimental probing as well as modelling can provide some answers and help predict in-service behaviour. This article illustrates how this approach has already improved our understanding of precipitation under irradiation, corrosion behaviour, and stress corrosion cracking. It is also now beginning to provide guidance for the development of new alloys.

  10. Atomic entanglement on a grand scale

    International Nuclear Information System (INIS)

    The ability to entangle large numbers of atoms for long periods of time could transform one of the most bizarre and profound features of quantum mechanics into the most useful. Quantum entanglement is one the weirdest features of quantum mechanics and is at the heart of most of the paradoxes in quantum theory. Erwin Schroedinger considered it to be the most profound characteristics of quantum mechanics and Albert Einstein called it spooky. Entanglement is an attribute that links two or more quantum systems as one and allows particles with two distinct quantum states to have a much closer relationship than classical physics permits. For instance it is possible to create pairs of photons that have their polarizations entangled: if the first photon is circularly polarized in a right-handed sense, then the second photon is always polarized in a left-handed sense, and vice versa. Entanglement is particularly spectacular if the objects are not tied together as in the helium atom but instead are far apart - for example two photons separated by many kilometres. However, material objects such as atoms do not fly apart as easily as photons and it is therefore much more difficult to entangle atoms at a distance. If two photons are in an entangled state, then a measurement on one photon will immediately determine the quantum state of the other. For a while, entanglement was considered a property of pairs of individual quantum particles only. However, recent experiments have demonstrated that macroscopic objects composed of billions of atoms can also be entangled. In the September issue of Physics World, Eugene Polzik of the University of Aarhus, Denmark, explores 'macroscopic entanglement' and its possible applications. (U.K.)

  11. Scanning Cryogenic Magnetometry with a 1D Bose Einstein Condensate

    Science.gov (United States)

    Straquadine, Joshua; Yang, Fan; Lev, Benjamin

    We present a novel scanning probe magnetometer suitable for cryogenic studies, in which the probe is a Bose-Einstein condensate of 87Rb. The system is designed for rapid sample changes and operation between 35 K and room temperature while remaining compatible with the UHV requirements of ultracold atom experiments. We demonstrate a spatial resolution (FWHM) of 2.6 μm and a repeatability of 1.9 +/- 1.0 nT. We also show that the system is operating close to the fundamental measurement limits set by photon shot noise and atom shot noise. Our scanning quantum cryogenic atom microscope is suitable for fundamental studies of transport and magnetism in condensed matter systems such as high-temperature superconductors and topological insulators. We discuss the advantages and applications of this magnetometry technique.

  12. Scanning Cryogenic Magnetometry with a Bose-Einstein Condensate

    Science.gov (United States)

    Straquadine, Joshua; Yang, Fan; Lev, Benjamin

    2016-05-01

    Microscopy techniques co-opted from nonlinear optics and high energy physics have complemented solid-state probes in elucidating exotic order manifest in condensed matter systems. We present a novel scanning magnetometer which adds the techniques of ultracold atomic physics to the condensed matter toolbox. Our device, the Scanning Quantum CRyogenic Atom Microscope (SQCRAMscope) uses a one-dimensional Bose-Einstein condensate of 87 Rb to image magnetic and electric fields near surfaces between room and cryogenic temperatures, and allows for rapid sample changes while retaining UHV compatibility for atomic experiments. We present our characterization of the spatial resolution and magnetic field sensitivity of the device, and discuss the advantages and applications of this magnetometry technique. In particular, we will discuss our plans for performing local transport measurements in technologically relevant materials such as Fe-based superconductors and topological insulators.

  13. Plasmons in nanoscale and atomic-scale systems

    Directory of Open Access Journals (Sweden)

    Tadaaki Nagao, Gui Han, ChungVu Hoang, Jung-Sub Wi, Annemarie Pucci, Daniel Weber, Frank Neubrech, Vyacheslav M Silkin, Dominik Enders, Osamu Saito and Masud Rana

    2010-01-01

    Full Text Available Plasmons in metallic nanomaterials exhibit very strong size and shape effects, and thus have recently gained considerable attention in nanotechnology, information technology, and life science. In this review, we overview the fundamental properties of plasmons in materials with various dimensionalities and discuss the optical functional properties of localized plasmon polaritons in nanometer-scale to atomic-scale objects. First, the pioneering works on plasmons by electron energy loss spectroscopy are briefly surveyed. Then, we discuss the effects of atomistic charge dynamics on the dispersion relation of propagating plasmon modes, such as those for planar crystal surface, atomic sheets and straight atomic wires. Finally, standing-wave plasmons, or antenna resonances of plasmon polariton, of some widely used nanometer-scale structures and atomic-scale wires (the smallest possible plasmonic building blocks are exemplified along with their applications.

  14. Probing the Planck Scale in Low-Energy Atomic Physics

    OpenAIRE

    Bluhm, Robert

    2001-01-01

    Experiments in atomic physics have exceptional sensitivity to small shifts in energy in an atom, ion, or bound particle. They are particularly well suited to search for unique low-energy signatures of new physics, including effects that could originate from the Planck scale. A number of recent experiments have used CPT and Lorentz violation as a candidate signal of new physics originating from the Planck scale. A discussion of these experiments and their theoretical implications is presented.

  15. Zirconium oxidation on the atomic scale.

    Science.gov (United States)

    Hudson, Daniel; Cerezo, Alfred; Smith, George D W

    2009-04-01

    Zirconium alloys are used in the nuclear industry as fuel rod cladding. They are chosen for this role because of their good mechanical properties and low thermal neutron absorption. Oxidation of these alloys by coolant is one of the chief limiting factors of the fuel burn-up efficiency. The aim of the present study is to understand these oxidation mechanisms. As a first step, a fundamental study of the oxidation of commercially pure zirconium has been conducted using the 3D atom probe (3DAP). The current generation of 3DAPs allows both voltage and laser pulsing, providing data sets of many millions of ions. According to the literature the only stable oxide of zirconium is ZrO(2). However, the 3DAP shows that an initial layer a few nanometres thick forms with a composition of ZrO(1-)(x) when subjected to light oxidation. This result confirms and extends the work of Wadman et al. [Colloque de Physique 50 (1989) C8 303; Journal de Physique, 11 (1988) C6 49] and Wadman and Andrén [in: C.M. Euchen, A.M. Garde (Eds.), Zirconium in the Nuclear Industry: Ninth Symposium, ASTM STP 1132, ASTM, USA, 1991, p. 461], who used 1DAP techniques, obtaining reduced data sets. Segregation of hydrogen to the metal-oxide interface and a distinct ZrH phase were observed in this study. A novel kinetics study of the room temperature oxidation of zirconium showed the ZrO layer to be non-protective over the time period investigated (up to 1h). PMID:19101084

  16. pH in atomic scale simulations of electrochemical interfaces

    DEFF Research Database (Denmark)

    Rossmeisl, Jan; Chan, Karen; Ahmed, Rizwan;

    2013-01-01

    Electrochemical reaction rates can strongly depend on pH, and there is increasing interest in electrocatalysis in alkaline solution. To date, no method has been devised to address pH in atomic scale simulations. We present a simple method to determine the atomic structure of the metal|solution in......Electrochemical reaction rates can strongly depend on pH, and there is increasing interest in electrocatalysis in alkaline solution. To date, no method has been devised to address pH in atomic scale simulations. We present a simple method to determine the atomic structure of the metal......|solution interface at a given pH and electrode potential. Using Pt(111)|water as an example, we show the effect of pH on the interfacial structure, and discuss its impact on reaction energies and barriers. This method paves the way for ab initio studies of pH effects on the structure and electrocatalytic activity...

  17. The fission time scale measured with an atomic clock

    NARCIS (Netherlands)

    Kravchuk, VL; Wilschut, HW; Hunyadi, M; Kopecky, S; Lohner, H; Rogachevskiy, A; Siemssen, RH; Krasznahorkay, A; Hamilton, JH; Ramayya, AV; Carter, HK

    2003-01-01

    We present a new direct method of measuring the fission absolute time scale using an atomic clock based on the lifetime of a vacancy in the atomic K-shell. We studied the reaction Ne-20 + Th-232 -> O-16 + U-236* at 30 MeV/u. The excitation energy of about 115 MeV in such a reaction is in the range w

  18. Magnetic dipole-dipole sensing at atomic scale using electron spin resonance STM

    Science.gov (United States)

    Choi, T.; Paul, W.; Rolf-Pissarczyk, S.; MacDonald, A.; Yang, K.; Natterer, F. D.; Lutz, C. P.; Heinrich, A. J.

    Magnetometry having both high magnetic field sensitivity and atomic resolution has been an important goal for applications in diverse fields covering physics, material science, and biomedical science. Recent development of electron spin resonance STM (ESR-STM) promises coherent manipulation of spins and studies on magnetic interaction of artificially built nanostructures, leading toward quantum computation, simulation, and sensors In ESR-STM experiments, we find that the ESR signal from an Fe atom underneath a STM tip splits into two different frequencies when we position an additional Fe atom nearby. We measure an ESR energy splitting that decays as 1/r3 (r is the separation of the two Fe atoms), indicating that the atoms are coupled through magnetic dipole-dipole interaction. This energy and distance relation enables us to determine magnetic moments of atoms and molecules on a surface with high precision in energy. Unique and advantageous aspects of ESR-STM are the atom manipulation capabilities, which allow us to build atomically precise nanostructures and examine their interactions. For instance, we construct a dice cinque arrangement of five Fe atoms, and probe their interaction and energy degeneracy. We demonstrate the ESR-STM technique can be utilized for quantum magnetic sensors.

  19. Mx Magnetometry Optimisation in Unshielded Environments

    Science.gov (United States)

    Ingleby, Stuart; Griffin, Paul; Arnold, Aidan; Riis, Erling; Hunter, Dominic

    2016-05-01

    Optically pumped magnetometry in unshielded environments is potentially of great advantage in a wide range of surveying and security applications. Optimisation of OPM modulation schemes and feedback in the Mx scheme offers enhanced sensitivity through noise cancellation and decoherence suppression. The work presented demonstrates capability for software-controlled optimisation of OPM performance in ambient fields in the 0 . 5 G range. Effects on magnetometer bandwidth and sensitivity are discussed. Supported by UK National Quantum Technologies Programme.

  20. Indentation-formed nanocontacts: an atomic-scale perspective.

    Science.gov (United States)

    Paul, William; Oliver, David; Grütter, Peter

    2014-05-14

    One-to-one comparisons between indentation experiments and atomistic modelling have until recently been hampered by the discrepancy in length scales of the two approaches. Here, we review progress in atomic-scale nanoindentation experiments employing scanning probe techniques to achieve depth-sensing indentation and field ion microscopy to permit detailed indenter characterization. This perspective addresses both mechanical (dislocation nucleation, defect structures, adhesion, indenter effects) and electronic (interface, disorder, and vacancy scattering) properties of indentation-formed contacts.

  1. Scaling properties of cavity-enhanced atom cooling

    CERN Document Server

    Horak, P; Horak, Peter; Ritsch, Helmut

    2001-01-01

    We extend an earlier semiclassical model to describe the dissipative motion of N atoms coupled to M modes inside a coherently driven high-finesse cavity. The description includes momentum diffusion via spontaneous emission and cavity decay. Simple analytical formulas for the steady-state temperature and the cooling time for a single atom are derived and show surprisingly good agreement with direct stochastic simulations of the semiclassical equations for N atoms with properly scaled parameters. A thorough comparison with standard free-space Doppler cooling is performed and yields a lower temperature and a cooling time enhancement by a factor of M times the square of the ratio of the atom-field coupling constant to the cavity decay rate. Finally it is shown that laser cooling with negligible spontaneous emission should indeed be possible, especially for relatively light particles in a strongly coupled field configuration.

  2. Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors.

    Science.gov (United States)

    Khalilov, Umedjon; Bogaerts, Annemie; Neyts, Erik C

    2015-12-22

    Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for understanding their growth mechanism. In spite of over twenty years of simulation efforts in this area, limited progress has so far been made on addressing the role of the hydrocarbon growth precursor. Here we report on atomic scale simulations of cap nucleation of single-walled carbon nanotubes from hydrocarbon precursors. The presented mechanism emphasizes the important role of hydrogen in the nucleation process, and is discussed in relation to previously presented mechanisms. In particular, the role of hydrogen in the appearance of unstable carbon structures during in situ experimental observations as well as the initial stage of multi-walled carbon nanotube growth is discussed. The results are in good agreement with available experimental and quantum-mechanical results, and provide a basic understanding of the incubation and nucleation stages of hydrocarbon-based CNT growth at the atomic level.

  3. Understanding the Atomic-Scale World with the Molecular Workbench

    Science.gov (United States)

    Tinker, Robert F.

    2006-12-01

    The Molecular Workbench (MW) is a sophisticated system for developing and delivering interactive learning activities to teach basic concepts that govern atomic and nanoscale phenomena. The system is based on a molecular dynamics model that calculates the motion of atoms, molecules, and other objects in real time as a result of the applicable forces, including Lennard-Jones potentials, electrostatic potentials, elastic bonds, and external fields. Light-atom interactions are modeled with photons of selectable energy that interact with the excited states of atoms. The built-in authoring functions can be used to create or modify learning activities. The ease of creating MW materials has led to over 200 activities contributed by staff and collaborators. Many are housed in a database with fields that include an overview, learning objectives, a description of the central concepts addressed, textbook references, and extensions. MW has been used extensively in classrooms in grades 7-14. In several settings student learning gains have been measured using a pre-posttest design. Research results will be reported that show Overall increases in understanding of atomic scale phenomena at high school and community college levels. The ability to transfer understanding of atomic-scale phenomena to new situations and to reason about macroscopic phenomena on the basis of atomic-scale interactions. Better understanding of difficult questions that required immersive visualization and prediction MW is written in Java, so it runs under all common operating systems, including Mac OSX, Windows, and Linux. It is open source, so it can be shared and copied by any user.

  4. Multiple time scales in the microwave ionization of Rydberg atoms

    Energy Technology Data Exchange (ETDEWEB)

    Buchleitner, A.; Delande, D.; Zakrzewski, J.; Mantegna, R.N.; Arndt, M.; Walther, H. [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Strasse 1, D-85748 Garching (Germany)]|[Laboratoire Kastler Brossel, 4 place Jussieu, Tour 12, 1 etage, F-75252 Paris Cedex 05 (France)]|[Instytut Fizyki Uniwersytetu Jagiellonskiego, ul. Reymonta 4, PL-30-059 Krakow (Poland)]|[Dipartimento di Energetica ed Applicazioni di Fisica, Universita di Palermo, Viale delle Scienze, I-90128 Palermo (Italy)]|[Sektion Physik der Universitaet Muenchen, Am Coulombwall 1, D-85748 Garching (Germany)

    1995-11-20

    We investigate the time dependence of the ionization probability of Rydberg atoms driven by microwave fields, both numerically and experimentally. Our exact quantum results provide evidence for an algebraic decay law on suitably chosen time scales, a phenomenon that is considered to be the signature of nonhyperbolic scattering in unbounded classically chaotic motion. {copyright} {ital 1995} {ital The} {ital American} {ital Physical} {ital Society}.

  5. Directing Matter: Toward Atomic-Scale 3D Nanofabrication.

    Science.gov (United States)

    Jesse, Stephen; Borisevich, Albina Y; Fowlkes, Jason D; Lupini, Andrew R; Rack, Philip D; Unocic, Raymond R; Sumpter, Bobby G; Kalinin, Sergei V; Belianinov, Alex; Ovchinnikova, Olga S

    2016-06-28

    Enabling memristive, neuromorphic, and quantum-based computing as well as efficient mainstream energy storage and conversion technologies requires the next generation of materials customized at the atomic scale. This requires full control of atomic arrangement and bonding in three dimensions. The last two decades witnessed substantial industrial, academic, and government research efforts directed toward this goal through various lithographies and scanning-probe-based methods. These technologies emphasize 2D surface structures, with some limited 3D capability. Recently, a range of focused electron- and ion-based methods have demonstrated compelling alternative pathways to achieving atomically precise manufacturing of 3D structures in solids, liquids, and at interfaces. Electron and ion microscopies offer a platform that can simultaneously observe dynamic and static structures at the nano- and atomic scales and also induce structural rearrangements and chemical transformation. The addition of predictive modeling or rapid image analytics and feedback enables guiding these in a controlled manner. Here, we review the recent results that used focused electron and ion beams to create free-standing nanoscale 3D structures, radiolysis, and the fabrication potential with liquid precursors, epitaxial crystallization of amorphous oxides with atomic layer precision, as well as visualization and control of individual dopant motion within a 3D crystal lattice. These works lay the foundation for approaches to directing nanoscale level architectures and offer a potential roadmap to full 3D atomic control in materials. In this paper, we lay out the gaps that currently constrain the processing range of these platforms, reflect on indirect requirements, such as the integration of large-scale data analysis with theory, and discuss future prospects of these technologies. PMID:27183171

  6. Directing Matter: Toward Atomic-Scale 3D Nanofabrication.

    Science.gov (United States)

    Jesse, Stephen; Borisevich, Albina Y; Fowlkes, Jason D; Lupini, Andrew R; Rack, Philip D; Unocic, Raymond R; Sumpter, Bobby G; Kalinin, Sergei V; Belianinov, Alex; Ovchinnikova, Olga S

    2016-06-28

    Enabling memristive, neuromorphic, and quantum-based computing as well as efficient mainstream energy storage and conversion technologies requires the next generation of materials customized at the atomic scale. This requires full control of atomic arrangement and bonding in three dimensions. The last two decades witnessed substantial industrial, academic, and government research efforts directed toward this goal through various lithographies and scanning-probe-based methods. These technologies emphasize 2D surface structures, with some limited 3D capability. Recently, a range of focused electron- and ion-based methods have demonstrated compelling alternative pathways to achieving atomically precise manufacturing of 3D structures in solids, liquids, and at interfaces. Electron and ion microscopies offer a platform that can simultaneously observe dynamic and static structures at the nano- and atomic scales and also induce structural rearrangements and chemical transformation. The addition of predictive modeling or rapid image analytics and feedback enables guiding these in a controlled manner. Here, we review the recent results that used focused electron and ion beams to create free-standing nanoscale 3D structures, radiolysis, and the fabrication potential with liquid precursors, epitaxial crystallization of amorphous oxides with atomic layer precision, as well as visualization and control of individual dopant motion within a 3D crystal lattice. These works lay the foundation for approaches to directing nanoscale level architectures and offer a potential roadmap to full 3D atomic control in materials. In this paper, we lay out the gaps that currently constrain the processing range of these platforms, reflect on indirect requirements, such as the integration of large-scale data analysis with theory, and discuss future prospects of these technologies.

  7. Is atomic-scale dissipation in NC-AFM real? Investigation using virtual atomic force microscopy

    International Nuclear Information System (INIS)

    Using a virtual dynamic atomic force microscope, that explicitly simulates the operation of a non-contact AFM experiment, we have performed calculations to investigate the formation of atomic-scale contrast in dissipation images. A non-conservative tip-surface interaction was implemented using the theory of dynamical response in scanning probe microscopy with energies and barriers derived from realistic atomistic modelling. It is shown how contrast in the damping signal is due to the hysteresis in the tip-surface force and not an artefact of the finite response of the complicated instrumentation. Topography and dissipation images of the CaO(001) surface are produced which show atomic-scale contrast in the dissipation with a corrugation of approximately 0.1 eV, which is typical of that observed in images of similar binary ionic surfaces. The effect of the fast-direction scanning speed on the image formation is also investigated and discussed

  8. Energy Scaling of Cold Atom-Atom-Ion Three-Body Recombination

    Science.gov (United States)

    Krükow, Artjom; Mohammadi, Amir; Härter, Arne; Denschlag, Johannes Hecker; Pérez-Ríos, Jesús; Greene, Chris H.

    2016-05-01

    We study three-body recombination of Ba++Rb +Rb in the mK regime where a single 138Ba+ ion in a Paul trap is immersed into a cloud of ultracold 87Rb atoms. We measure the energy dependence of the three-body rate coefficient k3 and compare the results to the theoretical prediction, k3∝Ecol-3 /4, where Ecol is the collision energy. We find agreement if we assume that the nonthermal ion energy distribution is determined by at least two different micromotion induced energy scales. Furthermore, using classical trajectory calculations we predict how the median binding energy of the formed molecules scales with the collision energy. Our studies give new insights into the kinetics of an ion immersed in an ultracold atom cloud and yield important prospects for atom-ion experiments targeting the s -wave regime.

  9. Energy scaling of cold atom-atom-ion three-body recombination

    CERN Document Server

    Krükow, Artjom; Härter, Arne; Denschlag, Johannes Hecker; Pérez-Ríos, Jesús; Greene, Chris H

    2015-01-01

    We study three-body recombination of Ba$^+$ + Rb + Rb in the mK regime where a single $^{138}$Ba$^{+}$ ion in a Paul trap is immersed into a cloud of ultracold $^{87}$Rb atoms. We measure the energy dependence of the three-body rate coefficient $k_3$ and compare the results to the theoretical prediction, $k_3 \\propto E_{\\textrm{col}}^{-3/4}$ where $E_{\\textrm{col}}$ is the collision energy. We find agreement if we assume that the non-thermal ion energy distribution is determined by at least two different micro-motion induced energy scales. Furthermore, using classical trajectory calculations we predict how the median binding energy of the formed molecules scales with the collision energy. Our studies give new insights into the kinetics of an ion immersed into an ultracold atom cloud and yield important prospects for atom-ion experiments targeting the s-wave regime.

  10. Atomic-Scale Sliding Friction on Graphene in Water.

    Science.gov (United States)

    Vilhena, J G; Pimentel, Carlos; Pedraz, Patricia; Luo, Feng; Serena, Pedro A; Pina, Carlos M; Gnecco, Enrico; Pérez, Rubén

    2016-04-26

    The sliding of a sharp nanotip on graphene completely immersed in water is investigated by molecular dynamics (MD) and atomic force microscopy. MD simulations predict that the atomic-scale stick-slip is almost identical to that found in ultrahigh vacuum. Furthermore, they show that water plays a purely stochastic role in sliding (solid-to-solid) friction. These observations are substantiated by friction measurements on graphene grown on Cu and Ni, where, oppositely of the operation in air, lattice resolution is readily achieved. Our results promote friction force microscopy in water as a robust alternative to ultra-high-vacuum measurements. PMID:26982997

  11. An ignition key for atomic-scale engines.

    Science.gov (United States)

    Dundas, Daniel; Cunningham, Brian; Buchanan, Claire; Terasawa, Asako; Paxton, Anthony T; Todorov, Tchavdar N

    2012-10-10

    A current-carrying resonant nanoscale device, simulated by non-adiabatic molecular dynamics, exhibits sharp activation of non-conservative current-induced forces with bias. The result, above the critical bias, is generalized rotational atomic motion with a large gain in kinetic energy. The activation exploits sharp features in the electronic structure, and constitutes, in effect, an ignition key for atomic-scale motors. A controlling factor for the effect is the non-equilibrium dynamical response matrix for small-amplitude atomic motion under current. This matrix can be found from the steady-state electronic structure by a simpler static calculation, providing a way to detect the likely appearance, or otherwise, of non-conservative dynamics, in advance of real-time modelling.

  12. Interface of transition metal oxides at the atomic scale

    Science.gov (United States)

    Shang, Tong-Tong; Liu, Xin-Yu; Gu, Lin

    2016-09-01

    Remarkable phenomena arise at well-defined heterostructures, composed of transition metal oxides, which is absent in the bulk counterpart, providing us a paradigm for exploring the various electron correlation effects. The functional properties of such heterostructures have attracted much attention in the microelectronic and renewable energy fields. Exotic and unexpected states of matter could arise from the reconstruction and coupling among lattice, charge, orbital and spin at the interfaces. Aberration-corrected scanning transmission electron microscopy (STEM) is a powerful tool to visualize the lattice structure and electronic structure at the atomic scale. In the present study some novel phenomena of oxide heterostructures at the atomic scale are summarized and pointed out from the perspective of electron microscopy.

  13. Variable scaling method and Stark effect in hydrogen atom

    International Nuclear Information System (INIS)

    By relating the Stark effect problem in hydrogen-like atoms to that of the spherical anharmonic oscillator we have found simple formulas for energy eigenvalues for the Stark effect. Matrix elements have been calculated using 0(2,1) algebra technique after Armstrong and then the variable scaling method has been used to find optimal solutions. Our numerical results are compared with those of Hioe and Yoo and also with the results obtained by Lanczos. (author)

  14. Petascale computations for Large-scale Atomic and Molecular collisions

    OpenAIRE

    McLaughlin, Brendan M.; Ballance, Connor P.

    2014-01-01

    Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schroedinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC codes. Various examples are shown of our theoretical results compared with those obtained from Sync...

  15. Mercury's Surface Magnetic Field Determined from Proton-Reflection Magnetometry

    Science.gov (United States)

    Winslow, Reka M.; Johnson, Catherine L.; Anderson, Brian J.; Gershman, Daniel J.; Raines, Jim M.; Lillis, Robert J.; Korth, Haje; Slavin, James A.; Solomon, Sean C.; Zurbuchen, Thomas H.; Zuber, Maria T.

    2014-01-01

    Solar wind protons observed by the MESSENGER spacecraft in orbit about Mercury exhibit signatures of precipitation loss to Mercury's surface. We apply proton-reflection magnetometry to sense Mercury's surface magnetic field intensity in the planet's northern and southern hemispheres. The results are consistent with a dipole field offset to the north and show that the technique may be used to resolve regional-scale fields at the surface. The proton loss cones indicate persistent ion precipitation to the surface in the northern magnetospheric cusp region and in the southern hemisphere at low nightside latitudes. The latter observation implies that most of the surface in Mercury's southern hemisphere is continuously bombarded by plasma, in contrast with the premise that the global magnetic field largely protects the planetary surface from the solar wind.

  16. Artificial charge-modulationin atomic-scale perovskite titanate superlattices.

    Science.gov (United States)

    Ohtomo, A; Muller, D A; Grazul, J L; Hwang, H Y

    2002-09-26

    The nature and length scales of charge screening in complex oxides are fundamental to a wide range of systems, spanning ceramic voltage-dependent resistors (varistors), oxide tunnel junctions and charge ordering in mixed-valence compounds. There are wide variations in the degree of charge disproportionation, length scale, and orientation in the mixed-valence compounds: these have been the subject of intense theoretical study, but little is known about the microscopic electronic structure. Here we have fabricated an idealized structure to examine these issues by growing atomically abrupt layers of LaTi(3+)O(3) embedded in SrTi(4+)O(3). Using an atomic-scale electron beam, we have observed the spatial distribution of the extra electron on the titanium sites. This distribution results in metallic conductivity, even though the superlattice structure is based on two insulators. Despite the chemical abruptness of the interfaces, we find that a minimum thickness of five LaTiO(3) layers is required for the centre titanium site to recover bulk-like electronic properties. This represents a framework within which the short-length-scale electronic response can be probed and incorporated in thin-film oxide heterostructures.

  17. Conceptual Design of a Micron-Scale Atomic Clock

    CERN Document Server

    Hannah, Eric C

    2007-01-01

    A theoretical proposal for reducing an entire atomic clock to micron dimensions. A phosphorus or nitrogen atom is introduced into a fullerene cage. This endohedral fullerene is then coated with an insulating shell and a number of them are deposited as a thin layer on a silicon chip. Next to this layer a GMR sensor is fabricated which is close to the endohedral fullerenes. This GMR sensor measures oscillating magnetic fields on the order of micro-gauss from the nuclear spins varying at the frequency of the hyperfine transition (413 MHz frequency). Given the micron scale and simplicity of this system only a few transistors are needed to control the waveforms and to perform digital clocking. This new form of atomic clock exhibits extremely low power (nano watts), high vibration and shock resistance, stability on the order of 10^{-9}, and is compatible with MEMS fabrication and chip integration. As GMR sensors continue to improve in sensitivity the stability of this form of atomic clock will increase proportionat...

  18. Symmetry-Breaking Zeeman-Coherence Parametric Wave Mixing Magnetometry

    CERN Document Server

    Zhou, Feng; Hagley, E W; Deng, L

    2016-01-01

    The nonlinear magneto-optical effect has significantly impacted modern society with prolific applications ranging from precision mapping of the Earth's magnetic field to bio-magnetic sensing. Pioneering works on collisional spin-exchange effects have led to ultra-high magnetic field detection sensitivities at the level of $fT/\\sqrt{Hz}$ using a single linearly-polarized probe light field. Here we demonstrate a nonlinear Zeeman-coherence parametric wave-mixing optical-atomic magnetometer using room temperature rubidium vapor that results in more than a three-order-of-magnitude optical signal-to-noise ratio (SNR) enhancement for extremely weak magnetic field sensing. This unprecedented enhancement was achieved with nearly a two-order-of-magnitude reduction in laser power while preserving the sensitivity of the widely-used single-probe beam optical-atomic magnetometry method. This new method opens a myriad of applications ranging from bio-magnetic imaging to precision measurement of the magnetic properties of su...

  19. Petascale computations for Large-scale Atomic and Molecular collisions

    CERN Document Server

    McLaughlin, Brendan M

    2014-01-01

    Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schroedinger or Dirac equation for the appropriate collision problem using the R-matrix or R-matrix with pseudo-states approach. We briefly outline the parallel methodology used and implemented for the current suite of Breit-Pauli and DARC codes. Various examples are shown of our theoretical results compared with those obtained from Synchrotron Radiation facilities and from Satellite observations. We also indicate future directions and implementation of the R-matrix codes on emerging GPU architectures.

  20. Modelling atomic scale manipulation with the non-contact atomic force microscope

    International Nuclear Information System (INIS)

    We present the results of calculations performed to model the process of lateral manipulation of an oxygen vacancy in the MgO(001) surface using the non-contact atomic force microscope (NC-AFM). The potential energy surfaces for the manipulation as a function of tip position are determined from atomistic modelling of the MgO(001) surface interacting with a Mg terminated MgO tip. These energies are then used to model the dynamical evolution of the system as the tip oscillates and at a finite temperature using a kinetic Monte Carlo method. The manipulation process is strongly dependent on the lateral position of the tip and the system temperature. It is also found that the expectation value of the point at which the vacancy jumps depends on the trajectory of the oscillating cantilever as the surface is approached. The effect of the manipulation on the operation of the NC-AFM is modelled with a virtual dynamic AFM, which explicitly simulates the entire experimental instrumentation and control loops. We show how measurable experimental signals can result from a single controlled atomic scale event and suggest the most favourable conditions for achieving successful atomic scale manipulation experimentally

  1. Tuning magnetotransport in a compensated semimetal at the atomic scale

    Science.gov (United States)

    Wang, Lin; Gutiérrez-Lezama, Ignacio; Barreteau, Céline; Ubrig, Nicolas; Giannini, Enrico; Morpurgo, Alberto F.

    2015-11-01

    Either in bulk form, or in atomically thin crystals, layered transition metal dichalcogenides continuously reveal new phenomena. The latest example is 1T'-WTe2, a semimetal found to exhibit the largest known magnetoresistance in the bulk, and predicted to become a topological insulator in strained monolayers. Here we show that reducing the thickness through exfoliation enables the electronic properties of WTe2 to be tuned, which allows us to identify the mechanisms responsible for the observed magnetotransport down to the atomic scale. The longitudinal resistance and the unconventional magnetic field dependence of the Hall resistance are reproduced quantitatively by a classical two-band model for crystals as thin as six monolayers, whereas a crossover to an Anderson insulator occurs for thinner crystals. Besides establishing the origin of the magnetoresistance of WTe2, our results represent a complete validation of the classical theory for two-band electron-hole transport, and indicate that atomically thin WTe2 layers remain gapless semimetals.

  2. Atom-scale molecular interactions in lipid raft mixtures

    DEFF Research Database (Denmark)

    Niemelä, Perttu S; Hyvönen, Marja T; Vattulainen, Ilpo

    2009-01-01

    We review the relationship between molecular interactions and the properties of lipid environments. A specific focus is given on bilayers which contain sphingomyelin (SM) and sterols due to their essential role for the formation of lipid rafts. The discussion is based on recent atom-scale molecular....... As a particularly intriguing example of this, the lateral pressure profiles of raft-like and non-raft systems indicate that the lipid composition of membrane domains may have a major impact on membrane protein activation....... another, thus acting as nucleation sites for the formation of highly ordered nanosized domains. Finally, the fourth part discusses the large-scale properties of raft-like membrane environments and compares them to the properties of non-raft membranes. The differences turn out to be substantial...

  3. The Atomic scale structure of liquid metal-electrolyte interfaces.

    Science.gov (United States)

    Murphy, B M; Festersen, S; Magnussen, O M

    2016-08-01

    Electrochemical interfaces between immiscible liquids have lately received renewed interest, both for gaining fundamental insight as well as for applications in nanomaterial synthesis. In this feature article we demonstrate that the atomic scale structure of these previously inaccessible interfaces nowadays can be explored by in situ synchrotron based X-ray scattering techniques. Exemplary studies of a prototypical electrochemical system - a liquid mercury electrode in pure NaCl solution - reveal that the liquid metal is terminated by a well-defined atomic layer. This layering decays on length scales of 0.5 nm into the Hg bulk and displays a potential and temperature dependent behaviour that can be explained by electrocapillary effects and contributions of the electronic charge distribution on the electrode. In similar studies of nanomaterial growth, performed for the electrochemical deposition of PbFBr, a complex nucleation and growth behaviour is found, involving a crystalline precursor layer prior to the 3D crystal growth. Operando X-ray scattering measurements provide detailed data on the processes of nanoscale film formation. PMID:27301317

  4. The Atomic scale structure of liquid metal-electrolyte interfaces

    Science.gov (United States)

    Murphy, B. M.; Festersen, S.; Magnussen, O. M.

    2016-07-01

    Electrochemical interfaces between immiscible liquids have lately received renewed interest, both for gaining fundamental insight as well as for applications in nanomaterial synthesis. In this feature article we demonstrate that the atomic scale structure of these previously inaccessible interfaces nowadays can be explored by in situ synchrotron based X-ray scattering techniques. Exemplary studies of a prototypical electrochemical system - a liquid mercury electrode in pure NaCl solution - reveal that the liquid metal is terminated by a well-defined atomic layer. This layering decays on length scales of 0.5 nm into the Hg bulk and displays a potential and temperature dependent behaviour that can be explained by electrocapillary effects and contributions of the electronic charge distribution on the electrode. In similar studies of nanomaterial growth, performed for the electrochemical deposition of PbFBr, a complex nucleation and growth behaviour is found, involving a crystalline precursor layer prior to the 3D crystal growth. Operando X-ray scattering measurements provide detailed data on the processes of nanoscale film formation.

  5. EON: software for long time simulations of atomic scale systems

    International Nuclear Information System (INIS)

    The EON software is designed for simulations of the state-to-state evolution of atomic scale systems over timescales greatly exceeding that of direct classical dynamics. States are defined as collections of atomic configurations from which a minimization of the potential energy gives the same inherent structure. The time evolution is assumed to be governed by rare events, where transitions between states are uncorrelated and infrequent compared with the timescale of atomic vibrations. Several methods for calculating the state-to-state evolution have been implemented in EON, including parallel replica dynamics, hyperdynamics and adaptive kinetic Monte Carlo. Global optimization methods, including simulated annealing, basin hopping and minima hopping are also implemented. The software has a client/server architecture where the computationally intensive evaluations of the interatomic interactions are calculated on the client-side and the state-to-state evolution is managed by the server. The client supports optimization for different computer architectures to maximize computational efficiency. The server is written in Python so that developers have access to the high-level functionality without delving into the computationally intensive components. Communication between the server and clients is abstracted so that calculations can be deployed on a single machine, clusters using a queuing system, large parallel computers using a message passing interface, or within a distributed computing environment. A generic interface to the evaluation of the interatomic interactions is defined so that empirical potentials, such as in LAMMPS, and density functional theory as implemented in VASP and GPAW can be used interchangeably. Examples are given to demonstrate the range of systems that can be modeled, including surface diffusion and island ripening of adsorbed atoms on metal surfaces, molecular diffusion on the surface of ice and global structural optimization of nanoparticles

  6. Magnetometry and archaeological prospection in Mexico

    Science.gov (United States)

    Barba Pingarron, L.; Laboratorio de Prospeccion Arqueologica

    2013-05-01

    Luis Barba Laboratorio de Prospección Arqueológica Instituto de Investigaciones Antropológicas Universidad Nacional Autonoma de México The first magnetic survey in archaeological prospection was published in 1958 in the first number of Archaeometry, in Oxford. That article marked the beginning of this applications to archaeology. After that, magnetic field measurements have become one of the most important and popular prospection tools. Its most outstanding characteristic is the speed of survey that allows to cover large areas in short time. As a consequence, it is usually the first approach to study a buried archaeological site. The first attempts in Mexico were carried out in 196. Castillo and Urrutia, among other geophysical techniques, used a magnetometer to study the northern part of the main plaza, zocalo, in Mexico City to locate some stone Aztec sculptures. About the same time Morrison et al. in La Venta pyramid used a magnetometer to measure total magnetic field trying to find a substructure. Some years later Brainer and Coe made a magnetic survey to locate large stone Olmec heads in San Lorenzo Tenochtitlan, Veracruz. Technology development has provided everyday more portable and accurate instruments to measure the magnetic field. The first total magnetic field proton magnetometers were followed by differential magnetometers and more recently gradiometers. Presently, multiple sensor magnetometers are widely used in European archaeology. The trend has been to remove the environmental and modern interference and to make more sensitive the instruments to the superficial anomalies related to most of the archaeological sites. There is a close relationship between the geology of the region and the way magnetometry works in archaeological sites. Archaeological prospection in Europe usually needs very sensitive instruments to detect slight magnetic contrast of ditches in old sediments. In contrast, volcanic conditions in Mexico produce large magnetic contrast

  7. Atomic-scale yield and dislocation nucleation in KBr

    Science.gov (United States)

    Filleter, T.; Maier, S.; Bennewitz, R.

    2006-04-01

    Atomic-scale plastic deformation on a KBr(100) surface has been produced and characterized by use of atomic force microscopy (AFM) in ultrahigh vacuum. The structure of displaced material was imaged using noncontact mode AFM after first implementing the sharp silicon tip as an indenter. After indentation the KBr(100) surface is found to exhibit monatomic terraces which are formed via dislocation nucleation and glide. Discontinuities in the force-distance curves recorded during indentation are correlated to the creation of dislocation loops in the crystal. Incipient dislocation nucleation has been characterized as the abrupt monatomic layer displacement of the tip into the sample and the corresponding creation of monatomic terraces. The indenter radius has been found to significantly influence the lateral extent of the dislocation structure and the distribution of force discontinuities during indentation. The shear stress at the yield point was experimentally determined to be 2.5GPa which is consistent with recent theoretical predictions for the ideal shear stress of KBr.

  8. Shrinking light to allow forbidden transitions on the atomic scale

    Science.gov (United States)

    Rivera, Nicholas; Kaminer, Ido; Zhen, Bo; Joannopoulos, John D.; Soljačić, Marin

    2016-07-01

    The diversity of light-matter interactions accessible to a system is limited by the small size of an atom relative to the wavelength of the light it emits, as well as by the small value of the fine-structure constant. We developed a general theory of light-matter interactions with two-dimensional systems supporting plasmons. These plasmons effectively make the fine-structure constant larger and bridge the size gap between atom and light. This theory reveals that conventionally forbidden light-matter interactions—such as extremely high-order multipolar transitions, two-plasmon spontaneous emission, and singlet-triplet phosphorescence processes—can occur on very short time scales comparable to those of conventionally fast transitions. Our findings may lead to new platforms for spectroscopy, sensing, and broadband light generation, a potential testing ground for quantum electrodynamics (QED) in the ultrastrong coupling regime, and the ability to take advantage of the full electronic spectrum of an emitter.

  9. Atomic-scale disproportionation in amorphous silicon monoxide.

    Science.gov (United States)

    Hirata, Akihiko; Kohara, Shinji; Asada, Toshihiro; Arao, Masazumi; Yogi, Chihiro; Imai, Hideto; Tan, Yongwen; Fujita, Takeshi; Chen, Mingwei

    2016-01-01

    Solid silicon monoxide is an amorphous material which has been commercialized for many functional applications. However, the amorphous structure of silicon monoxide is a long-standing question because of the uncommon valence state of silicon in the oxide. It has been deduced that amorphous silicon monoxide undergoes an unusual disproportionation by forming silicon- and silicon-dioxide-like regions. Nevertheless, the direct experimental observation is still missing. Here we report the amorphous structure characterized by angstrom-beam electron diffraction, supplemented by synchrotron X-ray scattering and computer simulations. In addition to the theoretically predicted amorphous silicon and silicon-dioxide clusters, suboxide-type tetrahedral coordinates are detected by angstrom-beam electron diffraction at silicon/silicon-dioxide interfaces, which provides compelling experimental evidence on the atomic-scale disproportionation of amorphous silicon monoxide. Eventually we develop a heterostructure model of the disproportionated silicon monoxide which well explains the distinctive structure and properties of the amorphous material. PMID:27172815

  10. Atomic-scale disproportionation in amorphous silicon monoxide

    Science.gov (United States)

    Hirata, Akihiko; Kohara, Shinji; Asada, Toshihiro; Arao, Masazumi; Yogi, Chihiro; Imai, Hideto; Tan, Yongwen; Fujita, Takeshi; Chen, Mingwei

    2016-05-01

    Solid silicon monoxide is an amorphous material which has been commercialized for many functional applications. However, the amorphous structure of silicon monoxide is a long-standing question because of the uncommon valence state of silicon in the oxide. It has been deduced that amorphous silicon monoxide undergoes an unusual disproportionation by forming silicon- and silicon-dioxide-like regions. Nevertheless, the direct experimental observation is still missing. Here we report the amorphous structure characterized by angstrom-beam electron diffraction, supplemented by synchrotron X-ray scattering and computer simulations. In addition to the theoretically predicted amorphous silicon and silicon-dioxide clusters, suboxide-type tetrahedral coordinates are detected by angstrom-beam electron diffraction at silicon/silicon-dioxide interfaces, which provides compelling experimental evidence on the atomic-scale disproportionation of amorphous silicon monoxide. Eventually we develop a heterostructure model of the disproportionated silicon monoxide which well explains the distinctive structure and properties of the amorphous material.

  11. FORWARD: A toolset for multiwavelength coronal magnetometry

    Directory of Open Access Journals (Sweden)

    Sarah eGibson

    2016-03-01

    Full Text Available Determining the 3D coronal magnetic field is a critical, but extremely difficult problem to solve. Since different types of multiwavelength coronal data probe different aspects of the coronal magnetic field, ideally these data should be used together to validate and constrain specifications of that field. Such a task requires the ability to create observable quantities at a range of wavelengths from a distribution of magnetic field and associated plasma -- i.e., to perform forward calculations. In this paper we describe the capabilities of the FORWARD SolarSoft IDL package, a uniquely comprehensive toolset for coronal magnetometry. FORWARD is a community resource that may be used both to synthesize a broad range of coronal observables, and to access and compare synthetic observables to existing data. It enables forward fitting of specific observations, and helps to build intuition into how the physical properties of coronal magnetic structures translate to observable properties. FORWARD can also be used to generate synthetic test beds from MHD simulations in order to facilitate the development of coronal magnetometric inversion methods, and to prepare for the analysis of future large solar telescope data.

  12. Atomic Scale Computer Simulation for Early Precipitation Process of Ni75Al6Vi9 Alloy

    Institute of Scientific and Technical Information of China (English)

    Yuhong ZHAO; Hua HOU; Hong XU; Yongxin WANG; Zheng CHEN; Xiaodong SUN

    2003-01-01

    The atomic scale computer simulation for initial precipitation mechanism of Ni75Al6V19 alloy was carried out for the first time by employing the microscopic diffusion equation. The initial precipitation process was invest igated throughsimulating the atom

  13. Correlation between micrometer-scale ripple alignment and atomic-scale crystallographic orientation of monolayer graphene

    Science.gov (United States)

    Choi, Jin Sik; Chang, Young Jun; Woo, Sungjong; Son, Young-Woo; Park, Yeonggu; Lee, Mi Jung; Byun, Ik-Su; Kim, Jin-Soo; Choi, Choon-Gi; Bostwick, Aaron; Rotenberg, Eli; Park, Bae Ho

    2014-01-01

    Deformation normal to the surface is intrinsic in two-dimensional materials due to phononic thermal fluctuations at finite temperatures. Graphene's negative thermal expansion coefficient is generally explained by such an intrinsic property. Recently, friction measurements on graphene exfoliated on a silicon oxide surface revealed an anomalous anisotropy whose origin was believed to be the formation of ripple domains. Here, we uncover the atomistic origin of the observed friction domains using a cantilever torsion microscopy in conjunction with angle-resolved photoemission spectroscopy. We experimentally demonstrate that ripples on graphene are formed along the zigzag direction of the hexagonal lattice. The formation of zigzag directional ripple is consistent with our theoretical model that takes account of the atomic-scale bending stiffness of carbon-carbon bonds and the interaction of graphene with the substrate. The correlation between micrometer-scale ripple alignment and atomic-scale arrangement of exfoliated monolayer graphene is first discovered and suggests a practical tool for measuring lattice orientation of graphene. PMID:25434431

  14. The study of materials at the atomic scale

    International Nuclear Information System (INIS)

    The atom probe is a projection microscope whose principle is based on the pin effect: the sample is shaped under the form of a very sharp pin and is submitted to a high electrical potential. Under the influence of the electrical field, the atoms are ejected and the sample surface can be peeled away atom by atom. The ejected atom carries 2 pieces of information: its trajectory and its speed. The knowledge of the trajectory allows the determination of the initial position site of the atom on the surface and the measurement of the time taken by the ion to reach the detector allows the identification of the atom through the use of a time-of-flight spectroscopy method. The development of new position detectors that can detect and record simultaneous impacts has led to the possibility of 3-dimensional imaging of the sample. The last generation of 3-dimensional atom probes has been used to study the position of the different species of atoms in an alloy and to study the formation of atom clusters around impurities in neutron irradiated ferritic steels. (A.C.)

  15. Spin sensing and magnetic design at the single atom level

    Science.gov (United States)

    Khajetoorians, Alexander

    2015-03-01

    Unraveling many of the current dilemmas in nanoscience hinges on the advancement of techniques which can probe the spin degrees of freedom with high spatial, energy, and ultimately high temporal resolution. With the development of sub-Kelvin high-magnetic field STM, two complementary methods, namely spin-polarized scanning tunneling spectroscopy (SP-STS) and inelastic STS (ISTS), can address single spins at the atomic scale with unprecedented precession. While SP-STS reads out the projection of the impurity magnetization, ISTS detects the excitations of this magnetization as a function of an external magnetic field. They are thus the analogs of magnetometry and spin resonance measurements pushed to the single atom limit. I have recently demonstrated that it is possible to reliably combine single atom magnetometry with an atom-by-atom bottom-up fabrication to realize complex atomic-scale magnets with tailored properties on metallic surfaces. I will discuss the current state of the art of this growing field as it pertains to single spin information storage, and how the functionality of coupled magnetic adatoms can be tailored on surfaces. Finally, I will present an outlook on future perspectives in the field of single atom magnetism and the promising application of single spin detection to broader scopes in nanoscience as a whole.

  16. A theoretical study of the atomic and electronic structures of three prospective atomic scale wire systems

    CERN Document Server

    Shevlin, S A

    2001-01-01

    transport properties of the line are also calculated. Finally we find which of the two models of the (4x1)-Si(111)-ln reconstruction is thermodynamically favoured in a supercell geometry. We use ab initio plane wave techniques in the Local-Density-Approximation, and calculate and compare the electronic structure of the two models with respect to the characteristic energies for electron dispersion along and across the chain structures. We also consider the effects of electronic structure on the in-plane transport properties of the indium lines. The structural and electronic properties of several candidate atomic scale wires are analysed. Three candidates are studied: the trans-polyacetylene molecule, the silicon line on the (001) face of cubic silicon carbide (the (nx2) series of reconstructions) and the indium chain on the (111) face of silicon carbide (the (4x1) reconstruction). We use the polyacetylene molecule as a test-bed for the techniques that we use to calculate transport properties in an empirically ...

  17. Nano Scale Mechanical Analysis of Biomaterials Using Atomic Force Microscopy

    Science.gov (United States)

    Dutta, Diganta

    The atomic force microscope (AFM) is a probe-based microscope that uses nanoscale and structural imaging where high resolution is desired. AFM has also been used in mechanical, electrical, and thermal engineering applications. This unique technique provides vital local material properties like the modulus of elasticity, hardness, surface potential, Hamaker constant, and the surface charge density from force versus displacement curve. Therefore, AFM was used to measure both the diameter and mechanical properties of the collagen nanostraws in human costal cartilage. Human costal cartilage forms a bridge between the sternum and bony ribs. The chest wall of some humans is deformed due to defective costal cartilage. However, costal cartilage is less studied compared to load bearing cartilage. Results show that there is a difference between chemical fixation and non-chemical fixation treatments. Our findings imply that the patients' chest wall is mechanically weak and protein deposition is abnormal. This may impact the nanostraws' ability to facilitate fluid flow between the ribs and the sternum. At present, AFM is the only tool for imaging cells' ultra-structure at the nanometer scale because cells are not homogeneous. The first layer of the cell is called the cell membrane, and the layer under it is made of the cytoskeleton. Cancerous cells are different from normal cells in term of cell growth, mechanical properties, and ultra-structure. Here, force is measured with very high sensitivity and this is accomplished with highly sensitive probes such as a nano-probe. We performed experiments to determine ultra-structural differences that emerge when such cancerous cells are subject to treatments such as with drugs and electric pulses. Jurkat cells are cancerous cells. These cells were pulsed at different conditions. Pulsed and non-pulsed Jurkat cell ultra-structures were investigated at the nano meter scale using AFM. Jurkat cell mechanical properties were measured under

  18. Analysis and application of the scale effect of flood discharge atomization model

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The phenomenon of discharge atomization occurs as hydraulic structures discharging,which influences the safety of power station,electrical equipment and produces environmental pollution.A series of physical model tests and feedback analysis are adapted to preliminarily study the scale effect of discharge atomization model by use of the field observation data of discharge atomization.The effect of Re and We numbers of flow on the atomization intensity is analyzed.A conversion relationship of atomization intensity between prototype and model results and the similarity criteria of the atomization range are developed. The conclusion is that the surface tension of discharge atomization model could be ignored when the Weber number is larger than 500.Some case studies are given by use of the similitude criteria of the atomization model.

  19. Mapping the Microscale Origins of MRI Contrast with Subcellular NV Diamond Magnetometry

    CERN Document Server

    Davis, Hunter C; Bhatnagar, Aadyot; Lee-Gosselin, Audrey; Barry, John F; Glenn, David R; Walsworth, Ronald L; Shapiro, Mikhail G

    2016-01-01

    Magnetic resonance imaging (MRI) is a widely used biomedical imaging modality that derives much of its contrast from microscale magnetic field gradients in biological tissues. However, the connection between these sub-voxel field patterns and MRI contrast has not been studied experimentally. Here, we describe a new method to map subcellular magnetic fields in mammalian cells and tissues using nitrogen vacancy diamond magnetometry and connect these maps to voxel-scale MRI contrast, providing insights for in vivo imaging and contrast agent design.

  20. Single-Spin Magnetometry with Multipulse Sensing Sequences

    NARCIS (Netherlands)

    De Lange, G.; Ristè, D.; Dobrovitski, V.V.; Hanson, R.

    2011-01-01

    We experimentally demonstrate single-spin magnetometry with multipulse sensing sequences. The use of multipulse sequences can greatly increase the sensing time per measurement shot, resulting in enhanced ac magnetic field sensitivity. We theoretically derive and experimentally verify the optimal num

  1. Atomic-Scale Control of Electron Transport through Single Molecules

    DEFF Research Database (Denmark)

    Wang, Y. F.; Kroger, J.; Berndt, R.;

    2010-01-01

    Tin-phthalocyanine molecules adsorbed on Ag(111) were contacted with the tip of a cryogenic scanning tunneling microscope. Orders-of-magnitude variations of the single-molecule junction conductance were achieved by controllably dehydrogenating the molecule and by modifying the atomic structure of...

  2. Atomic-scale non-contact AFM studies of alumina supported nanoparticles

    DEFF Research Database (Denmark)

    Jensen, Thomas Nørregaard; Meinander, Kristoffer; Simonsen, Søren Bredmose;

    ATOMIC-SCALE NON-CONTACT ATOMIC FORCE STUDIES OF ALUMINA SUPPORTED NANOPARTICLES Thomas N. Jensen, Kristoffer Meinander, Flemming Besenbacher and Jeppe V. Lauritsen Interdisciplinary Nanoscience Center, Aarhus University, DK-8000 Aarhus C, Denmark Heterogeneous catalysis plays a crucial role...... materials is a prerequisite for the synthesis of more sintering stable catalysts and the realizations of nanocatalysts implementing catalyst particles with a tailored size and morphology. In the last two decades the atomic force microscope (AFM) has become one of the premier tools for studying surfaces...... at the nanometre scale [1]. When operated in the so-called non-contact mode (nc-AFM), this technique yields genuine atomic resolution and offers a unique tool for atomic-scale studies of clean surfaces, as well as, nanoparticles and thin films on these surfaces irrespective of the substrate being electrically...

  3. Atomic-Scale Variations of the Mechanical Response of 2D Materials Detected by Noncontact Atomic Force Microscopy

    Science.gov (United States)

    de la Torre, B.; Ellner, M.; Pou, P.; Nicoara, N.; Pérez, Rubén; Gómez-Rodríguez, J. M.

    2016-06-01

    We show that noncontact atomic force microscopy (AFM) is sensitive to the local stiffness in the atomic-scale limit on weakly coupled 2D materials, as graphene on metals. Our large amplitude AFM topography and dissipation images under ultrahigh vacuum and low temperature resolve the atomic and moiré patterns in graphene on Pt(111), despite its extremely low geometric corrugation. The imaging mechanisms are identified with a multiscale model based on density-functional theory calculations, where the energy cost of global and local deformations of graphene competes with short-range chemical and long-range van der Waals interactions. Atomic contrast is related with short-range tip-sample interactions, while the dissipation can be understood in terms of global deformations in the weakly coupled graphene layer. Remarkably, the observed moiré modulation is linked with the subtle variations of the local interplanar graphene-substrate interaction, opening a new route to explore the local mechanical properties of 2D materials at the atomic scale.

  4. Three-dimensional atomic-scale imaging of impurity segregation to line defects

    Science.gov (United States)

    Blavette; Cadel; Fraczkiewicz; Menand

    1999-12-17

    Clouds of impurity atoms near line defects are believed to affect the plastic deformation of alloys. Three-dimensional atom probe techniques were used to image these so-called Cottrell atmospheres directly. Ordered iron-aluminum alloys (40 atomic percent aluminum) doped with boron (400 atomic parts per million) were investigated on an atomic scale along the direction. A boron enrichment was observed in the vicinity of an edge dislocation. The enriched region appeared as a three-dimensional pipe 5 nanometers in diameter, tangent to the dislocation line. The dislocation was found to be boron-enriched by a factor of 50 (2 atomic percent) relative to the bulk. The local boron enrichment is accompanied by a strong aluminum depletion of 20 atomic percent. PMID:10600736

  5. Atomic-scale imaging of surfaces and interfaces. Materials Research Society Symposium Proceedings, volume 295

    Science.gov (United States)

    Biegelsen, David K.; Smith, David J.; Tong, S. Y.

    The gap between imagining and imaging is getting ever smaller. The Atomic-Scale Imaging of Surfaces and Interfaces, Symposium W at the 1992 MRS Fall Meeting in Boston, Massachusetts, brought together researchers using state-of-the-art imaging techniques capable of resolving atomic features. Methods represented were scanning tunneling microscopy (STM), atomic force microscopy (AFM), low energy electron microscopy (LEEM), transmission (TEM) and reflection (REM) electron microscopy, scanning electron microscopy (SEM), atom probe field ion microscopy (APFIM or POSAP), high and low energy external source electron holographies, and internal source electron holographies. Some highlights from the STM papers included discussions of the limitations and future potential of STM as well as current findings. Several papers presented work with STM at elevated temperatures. Jene Golovchenko reviewed STM work showing cooperative diffusion events (Pb on Ge) involving many tens of substrate atoms. Don Eigler focused on atomic manipulation and some of its uses to enable fundamental studies of small atomic clusters.

  6. Scaling of Cross Sections for Ion-atom Impact Ionization

    CERN Document Server

    Kaganovich, I D; Startsev, E

    2003-01-01

    The values of ion-atom ionization cross sections are frequently needed for many applications that utilize the propagation of fast ions through matter. When experimental data and theoretical calculations are not available, approximate formulas are frequently used. This paper briefly summarizes the most important theoretical results and approaches to cross section calculations in order to place the discussion in historical perspective and offer a concise introduction to the topic. Based on experimental data and theoretical predictions, a new fit for ionization cross sections is proposed. The range of validity and accuracy of several frequently used approximations (classical trajectory, the Born approximation, and so forth) are discussed using, as examples, the ionization cross sections of hydrogen and helium atoms by various fully stripped ions.

  7. Scaling Cross Sections for Ion-atom Impact Ionization

    Energy Technology Data Exchange (ETDEWEB)

    Igor D. Kaganovich; Edward Startsev; Ronald C. Davidson

    2003-06-06

    The values of ion-atom ionization cross sections are frequently needed for many applications that utilize the propagation of fast ions through matter. When experimental data and theoretical calculations are not available, approximate formulas are frequently used. This paper briefly summarizes the most important theoretical results and approaches to cross section calculations in order to place the discussion in historical perspective and offer a concise introduction to the topic. Based on experimental data and theoretical predictions, a new fit for ionization cross sections is proposed. The range of validity and accuracy of several frequently used approximations (classical trajectory, the Born approximation, and so forth) are discussed using, as examples, the ionization cross sections of hydrogen and helium atoms by various fully stripped ions.

  8. Scaling of Cross Sections for Ion-atom Impact Ionization

    International Nuclear Information System (INIS)

    The values of ion-atom ionization cross sections are frequently needed for many applications that utilize the propagation of fast ions through matter. When experimental data and theoretical calculations are not available, approximate formulas are frequently used. This paper briefly summarizes the most important theoretical results and approaches to cross section calculations in order to place the discussion in historical perspective and offer a concise introduction to the topic. Based on experimental data and theoretical predictions, a new fit for ionization cross sections is proposed. The range of validity and accuracy of several frequently used approximations (classical trajectory, the Born approximation, and so forth) are discussed using, as examples, the ionization cross sections of hydrogen and helium atoms by various fully stripped ions

  9. Evidence for contact delocalization in atomic scale friction

    OpenAIRE

    Abel, D; Krylov, S. Yu.; Frenken, J. W. M.

    2007-01-01

    We analyze an advanced two-spring model with an ultra-low effective tip mass to predict nontrivial and physically rich 'fine structure' in the atomic stick-slip motion in Friction Force Microscopy (FFM) experiments. We demonstrate that this fine structure is present in recent, puzzling experiments. This shows that the tip apex can be completely or partially delocalized, thus shedding new light on what is measured in FFM and, possibly, what can happen with the asperities that establish the con...

  10. Tuning magnetotransport in a compensated semimetal at the atomic scale

    OpenAIRE

    Wang, Lin; Gutierrez Lezama, Ignacio; Barreteau, Céline; Ubrig, Nicolas; Giannini, Enrico; Morpurgo, Alberto

    2015-01-01

    Either in bulk form, or when exfoliated into atomically thin crystals, layered transition metal dichalcogenides are continuously leading to the discovery of new phenomena. The latest example is provided by 1T'-WTe$_2$, a semimetal recently found to exhibit the largest known magnetoresistance in bulk crystals, and predicted to become a two-dimensional topological insulator in strained monolayers. Here, we show that reducing the thickness through facile exfoliation provides an effective experim...

  11. Large-scale atomic calculations using variational methods

    International Nuclear Information System (INIS)

    Atomic properties, such as radiative lifetimes, hyperfine structures and isotope shift, have been studied both theoretically and experimentally. Computer programs which calculate these properties from multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) wave functions have been developed and tested. To study relativistic effects, a program which calculates hyperfine structures from multiconfiguration Dirac-Fock (MCDF) wave functions has also been written. A new method of dealing with radial non-orthogonalities in transition matrix elements has been investigated. This method allows two separate orbital sets to be used for the initial and final states, respectively. It is shown that, once the usual orthogonality restrictions have been overcome, systematic MCHF calculations are able to predict oscillator strengths in light atoms with high accuracy. In connection with recent high-power laser experiments, time-dependent calculations of the atomic response to intense laser fields have been performed. Using the frozen-core approximation, where the atom is modeled as an active electron moving in the average field of the core electrons and the nucleus, the active electron has been propagated in time under the influence of the laser field. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay following laser excitation in the vacuum ultraviolet spectral region, the radiative lifetimes and hyperfine structures of the 7p2P states in silver have been measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest 2P states in sodium and silver. 77 refs, 2 figs, 14 tabs

  12. Electronic transport properties of copper and gold at atomic scale

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadzadeh, Saeideh

    2010-11-23

    The factors governing electronic transport properties of copper and gold atomic-size contacts are theoretically examined in the present work. A two-terminal conductor using crystalline electrodes is adopted. The non-equilibrium Green's function combined with the density functional tight-binding method is employed via gDFTB simulation tool to calculate the transport at both equilibrium and non-equilibrium conditions. The crystalline orientation, length, and arrangement of electrodes have very weak influence on the electronic characteristics of the considered atomic wires. The wire width is found to be the most effective geometric aspect determining the number of conduction channels. The obtained conductance oscillation and linear current-voltage curves are interpreted. To analyze the conduction mechanism in detail, the transmission channels and their decomposition to the atomic orbitals are calculated in copper and gold single point contacts. The presented results offer a possible explanation for the relation between conduction and geometric structure. Furthermore, the results are in good agreement with available experimental and theoretical studies. (orig.)

  13. Laser remote magnetometry using mesospheric sodium

    CERN Document Server

    Kane, Thomas J; Denman, Craig A; Hart, Michael; Scott, R Phillip; Purucker, Michael E; Potashnik, Stephen J

    2016-01-01

    We have demonstrated a remote magnetometer based on sodium atoms in the Earth's mesosphere, at a 106-kilometer distance from our instrument. A 1.33-watt laser illuminated the atoms, and the magnetic field was inferred from back-scattered light collected by a telescope with a 1.55-meter-diameter aperture. The measurement sensitivity was 162 nT/$\\sqrt{Hz}$. The value of magnetic field inferred from our measurement is consistent with an estimate based on the Earth's known field shape to within a fraction of a percent. Projected improvements in optics could lead to sensitivity of 20 nT/$\\sqrt{Hz}$, and the use of advanced lasers or a large telescope could approach 1-nT/$\\sqrt{Hz}$ sensitivity. All experimental and theoretical sensitivity values are based on a 60$^\\circ$ angle between the laser beam axis and the magnetic field vector; at the optimal 90$^\\circ$ angle sensitivity would be improved by about a factor of two.

  14. Solid-state electrochemistry on the nanometer and atomic scales: the scanning probe microscopy approach

    Science.gov (United States)

    Strelcov, Evgheni; Yang, Sang Mo; Jesse, Stephen; Balke, Nina; Vasudevan, Rama K.; Kalinin, Sergei V.

    2016-07-01

    Energy technologies of the 21st century require an understanding and precise control over ion transport and electrochemistry at all length scales - from single atoms to macroscopic devices. This short review provides a summary of recent studies dedicated to methods of advanced scanning probe microscopy for probing electrochemical transformations in solids at the meso-, nano- and atomic scales. The discussion presents the advantages and limitations of several techniques and a wealth of examples highlighting peculiarities of nanoscale electrochemistry.

  15. Atomic scale imaging and spectroscopy of individual electron trap states using force detected dynamic tunnelling

    International Nuclear Information System (INIS)

    We report the first atomic scale imaging and spectroscopic measurements of electron trap states in completely non-conducting surfaces by dynamic tunnelling force microscopy/spectroscopy. Single electrons are dynamically shuttled to/from individual states in thick films of hafnium silicate and silicon dioxide. The new method opens up surfaces that are inaccessible to the scanning tunnelling microscope for imaging and spectroscopy on an atomic scale.

  16. A comparison of dynamic atomic force microscope set-ups for performing atomic scale manipulation experiments

    International Nuclear Information System (INIS)

    We present the results of calculations performed to investigate the process of single-atom manipulation with the non-contact atomic force microscope comparing the two most common experimental set-ups: a conventional large amplitude silicon cantilever and a small amplitude quartz tuning fork. The manipulation of a model system-an oxygen vacancy in the MgO(001) surface by a single vertical approach at a fixed lateral position-is simulated for each set-up using a detailed and realistic atomistic model that accounts for temperature and the tip trajectory, and it is found that both approaches produce the manipulation event in approximately the same way. The behaviour of the tip dynamics and the resulting response of the instrumentation to the manipulation event is studied using a virtual dynamic atomic force microscope that includes a realistic description of noise for each type of set-up. The results of these calculations indicate how a single-atom manipulation can be performed and recognized by each type of experiment

  17. Atomic-scale nanowires: physical and electronic structure

    International Nuclear Information System (INIS)

    The technology to build and study nanowires with sizes ranging from individual atoms to tens of nanometres has been developing rapidly over the last few years. We survey the motivation behind these developments, and summarize the basics behind quantized conduction. Several of the different experimental techniques and materials systems used in the creation of nanowires are examined, and the range of theoretical methods developed both for examining open systems (especially their conduction properties) and for modelling large systems are considered. We present various noteworthy example results from the field, before concluding with a look at future directions. (topical review)

  18. Evidence for Contact Delocalization in Atomic Scale Friction

    Science.gov (United States)

    Abel, D. G.; Krylov, S. Yu.; Frenken, J. W. M.

    2007-10-01

    We analyze an advanced two-spring model with an ultralow effective tip mass to predict nontrivial and physically rich “fine structure” in the atomic stick-slip motion in friction force microscopy (FFM) experiments. We demonstrate that this fine structure is present in recent, puzzling experiments. This shows that the tip apex can be completely or partially delocalized, thus shedding new light on what is measured in FFM and, possibly, what can happen with the asperities that establish the contact between macroscopic sliding bodies.

  19. Atomic-scale thermocapillary flow in focused ion beam milling

    Energy Technology Data Exchange (ETDEWEB)

    Das, K.; Johnson, H. T.; Freund, J. B., E-mail: jbfreund@illinois.edu [Mechanical Science and Engineering and Aerospace Engineering, University of Illinois at Urbana–Champaign, 1206 West Green Street MC-244, Urbana, Illinois 61801 (United States)

    2015-05-15

    Focused ion beams provide a means of nanometer-scale manufacturing and material processing, which is used for applications such as forming nanometer-scale pores in thin films for DNA sequencing. We investigate such a configuration with Ga{sup +} bombardment of a Si thin-film target using molecular dynamics simulation. For a range of ion intensities in a realistic configuration, a recirculating melt region develops, which is seen to flow with a symmetrical pattern, counter to how it would flow were it driven by the ion momentum flux. Such flow is potentially important for the shape and composition of the formed structures. Relevant stress scales and estimated physical properties of silicon under these extreme conditions support the importance thermocapillary effects. A flow model with Marangoni forcing, based upon the temperature gradient and geometry from the atomistic simulation, indeed reproduces the flow and thus could be used to anticipate such flows and their influence in applications.

  20. Electronic and Atomic-Scale Properties of Ultraflat CVD Graphene

    Science.gov (United States)

    Gutierrez, Christopher; Rosenthal, Ethan; Dadgar, Ali; Brown, Lola; Lochocki, Edward; Shen, Kyle; Park, Jiwoong; Pasupathy, Abhay

    2014-03-01

    Chemical vapor deposition (CVD) growth on copper foils has proven to be a reliable and cost-effective method for the production of graphene. However, most films grown by this method suffer from misoriented graphene grains as well as topographic roughness due to the polycrystallinity of the underlying copper foil substrate. Recent methods of copper foil treatment have allowed for the growth of graphene predominantly on large single crystal Cu(111) facets. In this talk we discuss scanning tunneling microscope (STM) measurements on such samples that reveal large terraces and atomically-resolved images that allow us to analyze the graphene-copper interaction during the growth. Scanning tunneling spectroscopy (STS) measurements and mapping are further employed to probe the electronic interaction between the graphene and copper substrate.

  1. Lateral vibration effects in atomic-scale friction

    Energy Technology Data Exchange (ETDEWEB)

    Roth, R. [Climate and Environment Physics, Physics Institute, University of Bern, Bern (Switzerland); Oeschger Centre for Climate Change Research, University of Bern, Bern (Switzerland); Fajardo, O. Y.; Mazo, J. J. [Departamento de Física de la Materia Condensada and Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, 50009 Zaragoza (Spain); Meyer, E. [Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel (Switzerland); Gnecco, E. [Instituto Madrileño de Estudios Avanzados en Nanociencia, IMDEA Nanociencia, 28049 Madrid (Spain)

    2014-02-24

    The influence of lateral vibrations on the stick-slip motion of a nanotip elastically pulled on a flat crystal surface is studied by atomic force microscopy measurements on a NaCl(001) surface in ultra-high vacuum. The slippage of the nanotip across the crystal lattice is anticipated at increasing driving amplitude, similarly to what is observed in presence of normal vibrations. This lowers the average friction force, as explained by the Prandtl-Tomlinson model with lateral vibrations superimposed at finite temperature. Nevertheless, the peak values of the lateral force, and the total energy losses, are expected to increase with the excitation amplitude, which may limit the practical relevance of this effect.

  2. Prospects of solar magnetometry - from ground and in space

    CERN Document Server

    Kleint, Lucia

    2015-01-01

    In this review we present an overview of observing facilities for solar research, which are planned or will come to operation in near future. We concentrate on facilities, which harbor specific potential for solar magnetometry. We describe the challenges and science goals of future magnetic measurements, the status of magnetic field measurements at different major solar observatories, and provide an outlook on possible upgrades of future instrumentation.

  3. Nuclear magnetometry studies of spin dynamics in quantum Hall systems

    Science.gov (United States)

    Fauzi, M. H.; Watanabe, S.; Hirayama, Y.

    2014-12-01

    We performed a nuclear magnetometry study on quantum Hall ferromagnet with a bilayer total filling factor of νtot=2 . We found not only a rapid nuclear relaxation but also a sudden change in the nuclear-spin polarization distribution after a one-second interaction with a canted antiferromagnetic phase. We discuss the possibility of observing cooperative phenomena coming from nuclear-spin ensemble triggered by hyperfine interaction in quantum Hall system.

  4. The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

    Science.gov (United States)

    Teo, Boon K.; Li, Wai-Kee

    2011-01-01

    This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…

  5. Atomic-order thermal nitridation of group IV semiconductors for ultra-large-scale integration

    International Nuclear Information System (INIS)

    One of the main requirements for ultra-large-scale integration (ULSI) is atomic-order control of process technology. Our concept of atomically controlled processing for group IV semiconductors is based on atomic-order surface reaction control in Si-based CVD epitaxial growth. On the atomic-order surface nitridation of a few nm-thick Ge/about 4 nm-thick Si0.5Ge0.5/Si(100) by NH3, it is found that N atoms diffuse through nm-order thick Ge layer into Si0.5Ge0.5/Si(100) substrate and form Si nitride, even at 500 °C. By subsequent H2 heat treatment, although N atomic amount in Ge layer is reduced drastically, the reduction of the Si nitride is slight. It is suggested that N diffusion in Ge layer is suppressed by the formation of Si nitride and that Ge/atomic-order N layer/Si1−xGex/Si (100) heterostructure is formed. These results demonstrate the capability of CVD technology for atomically controlled nitridation of group IV semiconductors for ultra-large-scale integration. (paper)

  6. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

    Atoms(原子)are all around us.They are something like the bricks (砖块)of which everything is made. The size of an atom is very,very small.In just one grain of salt are held millions of atoms. Atoms are very important.The way one object acts depends on what

  7. Current trends in ground based solar magnetometry

    Science.gov (United States)

    Gosain, Sanjay

    2016-07-01

    Continuous observations of the sun, over more than a century, have led to several important discoveries in solar astronomy. These include the discovery of the solar magnetism and its cyclic modulation, active region formation and decay and their role in energetic phenomena such as fares and coronal mass ejections (CMEs), fine structure and dynamics of the sunspots and small-scale organization of the magnetic flux in the form of flux tubes and so forth. In this article we give a brief overview of advancements in solar observational techniques in recent decades and the results obtained from the such observations. These include techniques to achieve high angular resolution, high spectral and polarimetric sensitivity and innovative new detectors. A wide range of spatial, temporal and spectral domains exploited by solar astronomers to understand the solar phenomena are discussed. Many new upcoming telescopes and instruments that are designed to address different aspects of solar physics problems are briefly described. Finally, we discuss the advantages of observing from the ground and how they can complement space-based observations.

  8. Scaled-energy spectroscopy of a |M|=1 Rydberg barium atom in an electric field

    Institute of Scientific and Technical Information of China (English)

    Wang Lei; Quan Wei; Shen Li; Yang Hai-Feng; Shi Ting-Yun; Liu Xiao-Jun; Liu Hong-Ping; Zhan Ming-Sheng

    2009-01-01

    We observe strong energy-dependent quantum defects in the scaled-energy Stark spectra for |M|=1 Rydberg states of barium atoms at three scaled energies: ε= -2.000, ε= -2.500 and ε=-3.000. In an attempt to explain the observations, theoretical calculations of closed orbit theory based on a model potential including core effect are performed for non-hydrogenic atoms. While such a potential has been uniformly successful for alkali atoms with a single valence electron, it fails to match experimental results for barium atoms in the 6snp Rydberg states with two valence electrons. Our study points out that this discrepancy is due to the strong perturbation from the 5d8p state, which voids the simple approximation for constant quantum defects of principle quantum number n.

  9. Atomically controlled CVD processing of group IV semiconductors for ultra-large-scale integrations

    International Nuclear Information System (INIS)

    One of the main requirements for ultra-large-scale integrations (ULSIs) is atomic-order control of process technology. Our concept of atomically controlled processing is based on atomic-order surface reaction control by CVD. By ultraclean low-pressure CVD using SiH4 and GeH4 gases, high-quality low-temperature epitaxial growth of Si1−xGex (100) (x=0–1) with atomically flat surfaces and interfaces on Si(100) is achieved. Self-limiting formation of 1–3 atomic layers of group IV or related atoms in the thermal adsorption and reaction of hydride gases on Si1-xGex (100) are generalized based on the Langmuir-type model. By the Si epitaxial growth on top of the material already-formed on Si(100), N, B and C atoms are confined within about a 1 nm thick layer. In Si cap layer growth on the P atomic layer formed on Si1−xGex (100), segregation of P atoms is suppressed by using Si2H6 instead of SiH4 at a low temperature of 450 °C. Heavy C atomic-layer doping suppresses strain relaxation as well as intermixing between Si and Ge at the Si1−xGex/Si heterointerface. It is confirmed that higher carrier concentration and higher carrier mobility are achieved by atomic-layer doping. These results open the way to atomically controlled technology for ULSIs. (review)

  10. Finite Bias Calculations to Model Interface Dipoles in Electrochemical Cells at the Atomic Scale

    DEFF Research Database (Denmark)

    Hansen, Martin Hangaard; Jin, Chengjun; Thygesen, Kristian Sommer;

    2016-01-01

    The structure of an electrochemical interface is not determined by any external electrostatic field, but rather by external chemical potentials. This paper demonstrates that the electric double layer should be understood fundamentally as an internal electric field set up by the atomic structure...... to satisfy the thermodynamic constraints imposed by the environment. This is captured by the generalized computational hydrogen electrode model, which enables us to make efficient first-principles calculations of atomic scale properties of the electrochemical interface....

  11. Probing electronic state at atomic scale on the surface of SrVO3 film

    Science.gov (United States)

    Okada, Yoshinori; Shimizu, Ryota; Shiraki, Susumu; Hitosugi, Taro

    2014-03-01

    Probing electronic structure of atomically well controlled surface of Perovskite-type 3d transition-metal oxides have been attracting much interest because of their intriguing emergent physical properties by heterostructure engineering. In this study, we have especially focused on SrVO3, where importance of correlation effects has been considered. We successfully obtained atomically flat surfaces of SrVO3, which gave us the great opportunity to visualize correlated electronic state at atomic scale by means of spectroscopic imaging scanning tunneling spectroscopy. Based on the experimental data, we discuss spectroscopic signature of many body effects on the surface of SrVO3 system.

  12. Electronic friction at the atomic scale: Conduction, electrostatic and magnetic effects

    Science.gov (United States)

    Krim, Jacqueline; Altfeder, Igor

    2013-03-01

    We have performed a magnetic probe microscopy study of levitation and atomic-scale friction for Fe on YBCO (Tc = 92.5K) in the temperature range 65 - 293 K, to explore electronic contributions to friction at the atomic scale. The samples were prepared with oxygen-depleted surfaces, with thin semiconducting surface layers present atop the bulk. Below Tc, the friction coefficient was observed to be constant at 0.19 and exhibited no correlation with the strength of superconducting levitation forces observed below Tc. The friction coefficient exhibited a change in slope within experimental error of Tc that increased progressively above Tc and reached 0.33 by room temperature. The results were analyzed within the context of underlying atomic-scale electronic and phononic mechanisms that give rise to friction we conclude that contact electrification and static electricity play a significant role above Tc. Supported by NSF and AFOSR.

  13. Femtosecond structural dynamics on the atomic length scale

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Dongfang

    2014-03-15

    This thesis reports on the development and application of two different but complementary ultrafast electron diffraction setups built at the Max Planck Research Department for Structural Dynamics. One is an ultra-compact femtosecond electron diffraction (FED) setup (Egun300), which is currently operational (with a maximum electron energy of 150 keV) and provides ultrashort (∝300 fs) and bright (∝10 e/μm{sup 2}) electron bunches. The other one, named as Relativistic Electron Gun for Atomic Exploration (REGAE) is a radio frequency driven 2 to 5 MeV FED setup built in collaboration with different groups from DESY. REGAE was developed as a facility that will provide high quality diffraction with sufficient coherence to even address structural protein dynamics and with electron pulses as short as 20 fs (FWHM). As one of the first students in Prof. R.J. Dwayne Miller's group, I led the femtosecond (fs) laser sub-group at REGAE being responsible for the construction of different key optical elements required to drive both of aforementioned FED systems. A third harmonic generation (THG) and a nonlinear optical parametric amplifier (NOPA) have been used for the photo-generation of ultrashort electron bursts as well as sample laser excitation. Different diagnostic tools have been constructed to monitor the performance of the fs optical system. A fast autocorrelator was developed to provide on the fly pulse duration correction. A transient-grating frequency-resolved optical gating (TG-FROG) was built to obtain detail information about the characteristics of fs optical pulse, i.e. phase and amplitude of its spectral components. In addition to these optical setups, I developed a fs optical pump-probe system, which supports broadband probe pulses. This setup was successfully applied to investigate the semiconductor-to-metal photoinduced phase transition in VO{sub 2} and the ultrafast photo-reduction mechanism of graphene oxide. In regard to FED setups, I have been

  14. Atomic-scale structure of single-layer MoS2 nanoclusters

    OpenAIRE

    Helveg, S.; Lauritsen, J.V.; Lægsgaard, E.; Stensgaard, I.; Nørskov, Jens Kehlet; Clausen, B.S, Helveg S; Topsøe, H.; Besenbacher, Flemming

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2 nanoparticles synthesized on Au(lll), and establishes a new picture of the active edge sires of the nanoclusters. The results demonstrate a way to get detailed atomic-scale information on catalysts in ...

  15. Characterization of graphene and transition metal dichalcogenide at the atomic scale

    International Nuclear Information System (INIS)

    Edge structures and atomic defects are of fundamental importance since they can significantly affect the physical and chemical properties of low-dimensional materials, such as nanoribbons, and therefore merit thorough investigations at the atomic level. Recent developments of direct imaging and analytical techniques using an aberration-corrected scanning transmission electron microscope (STEM) have provided direct access to information on the local atomic structure and the chemical composition at the atomic scale. In this review, we report on the discrimination of single atoms including dopant atoms on a monolayered transition-metal dichalcogenide (TMD) nanoribbon and a single nitrogen adatom on graphene by time-resolved annular dark-field (ADF) imaging and spatially resolved electron energy loss spectroscopy (EELS). We also show that in situ scanning transmission electron microscopy can be used to monitor the structural transformation between semiconducting (2H) and metallic (1T) phases in monolayer MoS2, and can enable direct observation of in-plane graphene growth at a step edge of a bi-layer graphene and domain boundary formation during growth with atomic-resolution. (author)

  16. Characterization of Graphene and Transition Metal Dichalcogenide at the Atomic Scale

    Science.gov (United States)

    Liu, Zheng; Lin, Yung-Chang; Warner, Jamie H.; Teng, Po-Yuan; Yeh, Chao-Hui; Chiu, Po-Wen; Iijima, Sumio; Suenga, Kazu

    2015-12-01

    Edge structures and atomic defects are of fundamental importance since they can significantly affect the physical and chemical properties of low-dimensional materials, such as nanoribbons, and therefore merit thorough investigations at the atomic level. Recent developments of direct imaging and analytical techniques using an aberration-corrected scanning transmission electron microscope (STEM) have provided direct access to information on the local atomic structure and the chemical composition at the atomic scale. In this review, we report on the discrimination of single atoms including dopant atoms on a monolayered transition-metal dichalcogenide (TMD) nanoribbon and a single nitrogen adatom on graphene by time-resolved annular dark-field (ADF) imaging and spatially resolved electron energy loss spectroscopy (EELS). We also show that in situ scanning transmission electron microscopy can be used to monitor the structural transformation between semiconducting (2H) and metallic (1T) phases in monolayer MoS2, and can enable direct observation of in-plane graphene growth at a step edge of a bi-layer graphene and domain boundary formation during growth with atomic-resolution.

  17. Engineering the magnetic anisotropy of atomic-scale nanostructure under electric field

    Science.gov (United States)

    Zhu, Wanjiao; Ding, Hang-Chen; Tong, Wen-Yi; Gong, Shi-Jing; Wan, Xiangang; Duan, Chun-Gang

    2015-02-01

    Atomic-scale magnetic nanostructures are promising candidates for future information processing devices. Utilizing external electric field to manipulate their magnetic properties is an especially thrilling project. Here, by carefully identifying the different contributions of each atomic orbital to the magnetic anisotropy energy (MAE) of the ferromagnetic metal films, we argue that it is possible to engineer both the MAE and the magnetic response to the electric field of atomic-scale magnetic nanostructures. Taking the iron monolayer as a matrix, we propose several interesting iron nanostructures with dramatically different magnetic properties. Such nanostructures could exhibit a strong magnetoelectric effect. Our work may open new avenues to the artificial design of electrically controlled magnetic devices.

  18. Visible Light Emission from Atomic Scale Patterns Fabricated by the Scanning Tunneling Microscope

    DEFF Research Database (Denmark)

    Thirstrup, C.; Sakurai, M.; Stokbro, Kurt;

    1999-01-01

    Scanning tunneling microscope (STM) induced light emission from artificial atomic scale structures comprising silicon dangling bonds on hydrogen-terminated Si(001) surfaces has been mapped spatially and analyzed spectroscopically in the visible spectral range. The light emission is based on a novel...

  19. Atomic-scale structure of single-layer MoS2 nanoclusters

    DEFF Research Database (Denmark)

    Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.;

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2...

  20. Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces

    DEFF Research Database (Denmark)

    Calle-Vallejo, F.; Martínez, J. I.; García Lastra, Juan Maria;

    2012-01-01

    Despite their importance in physics and chemistry, the origin and extent of the scaling relations between the energetics of adsorbed species on surfaces remain elusive. We demonstrate here that scalability is not exclusive to adsorbed atoms and their hydrogenated species but rather a general...

  1. Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms

    DEFF Research Database (Denmark)

    Sørensen, Mads Reinholdt; Brandbyge, Mads; Jacobsen, Karsten Wedel

    1998-01-01

    We have simulated the mechanical deformation of atomic-scale metallic contacts under tensile strain using molecular dynamics and effective medium theory potentials. The evolution of the structure of the contacts and the underlying deformation mechanisms are described along with the calculated ele...

  2. 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;

    2009-01-01

    , 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...

  3. Direct surface magnetometry with photoemission magnetic x-ray dichroism

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J.G.; Goodman, K.W. [Lawrence Berkeley National Lab., CA (United States); Schumann, F.O. [Pennsylvania State Univ., University Park, PA (United States)] [and others

    1997-04-01

    Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the {open_quotes}sum rules.{close_quotes} Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data of linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source.

  4. Scaled-Down Moderator Circulation Test Facility at Korea Atomic Energy Research Institute

    Directory of Open Access Journals (Sweden)

    Hyoung Tae Kim

    2016-01-01

    Full Text Available Korea Atomic Energy Research Institute (KAERI started the experimental research on moderator circulation as one of a the national research and development programs from 2012. This research program includes the construction of the moderator circulation test (MCT facility, production of the validation data for self-reliant computational fluid dynamics (CFD tools, and development of optical measurement system using the particle image velocimetry (PIV. In the present paper we introduce the scaling analysis performed to extend the scaling criteria suitable for reproducing thermal-hydraulic phenomena in a scaled-down CANDU- (CANada Deuterium Uranium- 6 moderator tank, a manufacturing status of the 1/4 scale moderator tank. Also, preliminary CFD analysis results for the full-size and scaled-down moderator tanks are carried out to check whether the moderator flow and temperature patterns of both the full-size reactor and scaled-down facility are identical.

  5. Multi-Scale Simulation of Atomization with small drops represented by Lagrangian Point-Particle Model

    Science.gov (United States)

    Ling, Yue; Zaleski, Stéphane; Institut Jean Le Rond d'Alembert Team

    2014-11-01

    Numerical simulation is conducted to investigate the drop formation and evolution in gas-assisted atomization. The atomizer consists of two parallel planar jets: the fast gas jet and the slow liquid jet. Due to the shear between gas and liquid streams, the liquid-gas interface is unstable, and this eventually leads to full atomization. A fundamental challenge in atomization simulations is the existence of multiple length scales involved. In order to accurately capture both the gas-liquid interface instability and the drop dynamics, a multi-scale multiphase flow simulation strategy is proposed. In the present model, the gas-liquid interface is resolved by the Volume-of-Fluid (VOF) method, while the small drops are represented by Lagrangian point-particle (LPP) models. Particular attention is paid on validating the coupling and conversion between LPP and VOF. The present model is validated by comparing with direct numerical simulation (DNS) results and also experimental data. The simulation results show complex coupling between the interface instability and the turbulent gas jet, which in turn influence the formation and evolution of the drops formed in atomization. ANR-11-MONU-0011.

  6. Atomic scale observation of oxygen delivery during silver-oxygen nanoparticle catalysed oxidation of carbon nanotubes

    Science.gov (United States)

    Yue, Yonghai; Yuchi, Datong; Guan, Pengfei; Xu, Jia; Guo, Lin; Liu, Jingyue

    2016-07-01

    To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmental transmission electron microscopy to investigate the atomic scale processes of silver-based nanoparticles, which catalyse the oxidation of multi-wall carbon nanotubes. A direct semi-quantitative estimate of the oxidized carbon atoms by silver-based nanoparticles is achieved. A mechanism similar to the Mars-van Krevelen process is invoked to explain the catalytic oxidation process. Theoretical calculations, together with the experimental data, suggest that the oxygen molecules dissociate on the surface of silver nanoparticles and diffuse through the silver nanoparticles to reach the silver/carbon interfaces and subsequently oxidize the carbon. The lattice distortion caused by oxygen concentration gradient within the silver nanoparticles provides the direct evidence for oxygen diffusion. Such direct observation of atomic scale dynamics provides an important general methodology for investigations of catalytic processes.

  7. Compound semiconductor alloys: From atomic-scale structure to bandgap bowing

    Energy Technology Data Exchange (ETDEWEB)

    Schnohr, C. S., E-mail: c.schnohr@uni-jena.de [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany)

    2015-09-15

    Compound semiconductor alloys such as In{sub x}Ga{sub 1−x}As, GaAs{sub x}P{sub 1−x}, or CuIn{sub x}Ga{sub 1−x}Se{sub 2} are increasingly employed in numerous electronic, optoelectronic, and photonic devices due to the possibility of tuning their properties over a wide parameter range simply by adjusting the alloy composition. Interestingly, the material properties are also determined by the atomic-scale structure of the alloys on the subnanometer scale. These local atomic arrangements exhibit a striking deviation from the average crystallographic structure featuring different element-specific bond lengths, pronounced bond angle relaxation and severe atomic displacements. The latter, in particular, have a strong influence on the bandgap energy and give rise to a significant contribution to the experimentally observed bandgap bowing. This article therefore reviews experimental and theoretical studies of the atomic-scale structure of III-V and II-VI zincblende alloys and I-III-VI{sub 2} chalcopyrite alloys and explains the characteristic findings in terms of bond length and bond angle relaxation. Different approaches to describe and predict the bandgap bowing are presented and the correlation with local structural parameters is discussed in detail. The article further highlights both similarities and differences between the cubic zincblende alloys and the more complex chalcopyrite alloys and demonstrates that similar effects can also be expected for other tetrahedrally coordinated semiconductors of the adamantine structural family.

  8. Atomic-scale study of transformation paths in unmixing and ordering reactions

    Energy Technology Data Exchange (ETDEWEB)

    Blavette, D.; Pareige-Schmuck, C.; Danoix, F. [CNRS, Mont Saint Aignan (France). Fac. des Sci. de Rouen; Stiller, K.

    1997-06-01

    The tomographic atom-probe (TAP) is a new high resolution nanoanalytical microscope, which provides three-dimensional maps of chemical heterogeneities in a metallic material on a near-atomic scale. Application of the TAP to unmixing and ordering in metallic alloys is discussed and illustrated through various examples (spinodal decomposition in FeCr ferritic phases, nucleation and growth of LI{sub 2} ordered precipitates in nickel based alloys, precipitation in maraging steels). The role of the TAP in the investigation of transformation paths in these systems is discussed. (orig.). 17 refs.

  9. Demonstration of atomic scale stick-slip events stimulated by the force versus distance mode using atomic force microscopy

    Science.gov (United States)

    Watson, Gregory S.; Dinte, Bradley P.; Blach, Jolanta A.; Myhra, Sverre

    2002-08-01

    It has been shown that longitudinal deformation of the force-sensing/imposing lever can be stimulated by the conventional force versus distance (F-d), analytical mode of a scanning force microscope. Accordingly it is possible to measure simultaneously both in-plane and out-of-plane force components acting between a tip and a surface. Discrete atomic scale stick-slip events have been observed by F-d generated friction loop analysis of cleaved WTe2, Mica and HOPG single crystals, and of a Langmuir-Blodgett film. Due to the lever geometry, the lateral resolution arising from z-stage movement is better by an order of magnitude than that obtained from translation of the x-y-stage.

  10. Atomic-scale friction modulated by potential corrugation in multi-layered graphene materials

    International Nuclear Information System (INIS)

    Friction is an important issue that has to be carefully treated for the fabrication of graphene-based nano-scale devices. So far, the friction mechanism of graphene materials on the atomic scale has not yet been clearly presented. Here, first-principles calculations were employed to unveil the friction behaviors and their atomic-scale mechanism. We found that potential corrugations on sliding surfaces dominate the friction force and the friction anisotropy of graphene materials. Higher friction forces correspond to larger corrugations of potential energy, which are tuned by the number of graphene layers. The friction anisotropy is determined by the regular distributions of potential energy. The sliding along a fold-line path (hollow-atop-hollow) has a relatively small potential energy barrier. Thus, the linear sliding observed in macroscopic friction experiments may probably be attributed to the fold-line sliding mode on the atomic scale. These findings can also be extended to other layer-structure materials, such as molybdenum disulfide (MoS2) and graphene-like BN sheets

  11. Atomic-scale friction modulated by potential corrugation in multi-layered graphene materials

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Chunqiang, E-mail: chunqiang.zhuang@bjut.edu.cn [Beijing Key Laboratory of Microstructure and Properties of Advanced Materials, Beijing University of Technology, Beijing 100124 (China); Liu, Lei [Institute of Earthquake Science, China Earthquake Administration, Beijing 10036 (China)

    2015-03-21

    Friction is an important issue that has to be carefully treated for the fabrication of graphene-based nano-scale devices. So far, the friction mechanism of graphene materials on the atomic scale has not yet been clearly presented. Here, first-principles calculations were employed to unveil the friction behaviors and their atomic-scale mechanism. We found that potential corrugations on sliding surfaces dominate the friction force and the friction anisotropy of graphene materials. Higher friction forces correspond to larger corrugations of potential energy, which are tuned by the number of graphene layers. The friction anisotropy is determined by the regular distributions of potential energy. The sliding along a fold-line path (hollow-atop-hollow) has a relatively small potential energy barrier. Thus, the linear sliding observed in macroscopic friction experiments may probably be attributed to the fold-line sliding mode on the atomic scale. These findings can also be extended to other layer-structure materials, such as molybdenum disulfide (MoS{sub 2}) and graphene-like BN sheets.

  12. Direct observation of electron propagation and dielectric screening on the atomic length scale.

    Science.gov (United States)

    Neppl, S; Ernstorfer, R; Cavalieri, A L; Lemell, C; Wachter, G; Magerl, E; Bothschafter, E M; Jobst, M; Hofstetter, M; Kleineberg, U; Barth, J V; Menzel, D; Burgdörfer, J; Feulner, P; Krausz, F; Kienberger, R

    2015-01-15

    The propagation and transport of electrons in crystals is a fundamental process pertaining to the functioning of most electronic devices. Microscopic theories describe this phenomenon as being based on the motion of Bloch wave packets. These wave packets are superpositions of individual Bloch states with the group velocity determined by the dispersion of the electronic band structure near the central wavevector in momentum space. This concept has been verified experimentally in artificial superlattices by the observation of Bloch oscillations--periodic oscillations of electrons in real and momentum space. Here we present a direct observation of electron wave packet motion in a real-space and real-time experiment, on length and time scales shorter than the Bloch oscillation amplitude and period. We show that attosecond metrology (1 as = 10(-18) seconds) now enables quantitative insight into weakly disturbed electron wave packet propagation on the atomic length scale without being hampered by scattering effects, which inevitably occur over macroscopic propagation length scales. We use sub-femtosecond (less than 10(-15) seconds) extreme-ultraviolet light pulses to launch photoelectron wave packets inside a tungsten crystal that is covered by magnesium films of varied, well-defined thicknesses of a few ångströms. Probing the moment of arrival of the wave packets at the surface with attosecond precision reveals free-electron-like, ballistic propagation behaviour inside the magnesium adlayer--constituting the semi-classical limit of Bloch wave packet motion. Real-time access to electron transport through atomic layers and interfaces promises unprecedented insight into phenomena that may enable the scaling of electronic and photonic circuits to atomic dimensions. In addition, this experiment allows us to determine the penetration depth of electrical fields at optical frequencies at solid interfaces on the atomic scale. PMID:25592539

  13. Efficient route to high-bandwidth nanoscale magnetometry using single spins in diamond.

    Science.gov (United States)

    Puentes, Graciana; Waldherr, Gerald; Neumann, Philipp; Balasubramanian, Gopalakrishnan; Wrachtrup, Jörg

    2014-01-01

    Nitrogen-vacancy (NV) center in diamond is a promising quantum metrology tool finding applications across disciplines. The spin sensor measures magnetic fields, electric fields and temperature with nano-scale precision and is fully operable under ambient conditions. Moreover, it achieves precision scaling inversely with total measurement time σB ∝ 1/T (Heisenberg scaling) rather than as the inverse of the square root of T, with σB = √T the Shot-Noise limit. This scaling can be achieved by means of phase estimation algorithms (PEAs), in combination with single-shot read-out. Despite their accuracy, the range of applicability of PEAs is limited to sensing single frequencies with negligible temporal fluctuations. Nuclear Magnetic Resonance (NMR) signals from molecules often contain multifrequency components and sensing them using PEA is ruled out. Here we propose an alternative method for precision magnetometry in frequency multiplexed signals via compressive sensing (CS) techniques focusing on nanoscale NMR. We show that CS can provide for precision scaling approximately as σB ≈ 1/T, as well as for a 5-fold increase in sensitivity over dynamic-range gain, in addition to reducing the total number of resources required. We illustrate our method by taking model solid-state spectra of Glycine acquired under Magic Angle Spinning conditions. PMID:24728454

  14. Magnetic properties of cobalt microwires measured by piezoresistive cantilever magnetometry

    Directory of Open Access Journals (Sweden)

    Tosolini G.

    2014-09-01

    Full Text Available We present the magnetic characterization of cobalt wires grown by focused electron beam-induced deposition (FEBID and studied using static piezoresistive cantilever magnetometry. We have used previously developed high force sensitive submicron-thick silicon piezoresistive cantilevers. High quality polycrystalline cobalt microwires have been grown by FEBID onto the free end of the cantilevers using dual beam equipment. In the presence of an external magnetic field, the magnetic cobalt wires become magnetized, which leads to the magnetic field dependent static deflection of the cantilevers. We show that the piezoresistive signal from the cantilevers, corresponding to a maximum force of about 1 nN, can be measured as a function of the applied magnetic field with a good signal to noise ratio at room temperature. The results highlight the flexibility of the FEBID technique for the growth of magnetic structures on specific substrates, in this case piezoresistive cantilevers.

  15. Scale Factor Measurements for a Gyroscope Based on an Expanding Cloud of Atoms

    Science.gov (United States)

    Hoth, Gregory; Pelle, Bruno; Riedl, Stefan; Kitching, John; Donley, Elizabeth

    2016-05-01

    We present an atom interferometer that can simultaneously measure two-axis rotations and one-axis accelerations with a single cloud of atoms in an active evacuated volume of about 1 cm3. This is accomplished by extending the point-source interferometry technique (Dickerson et al. PRL, 111, 083001, 2013) to a compact regime. In this technique, the cloud of atoms is imaged after the interferometer sequence. Rotations cause spatial fringes to appear across the cloud. To realize a gyroscope with this method, it is necessary to know how the wave-vector of the spatial fringes, k, is related to the rotation rate, Ω. If the cloud is initially infinitesimally small, it can be shown that k = FΩ with a scale factor F determined by the time between interferometer pulses, the total free expansion time, and the wavelength of the interrogating laser. However, the point-source approximation is not appropriate in our case because the final size of the cloud in our experiment is between 1.4 and 5 times its initial size. We show experimentally that in this finite expansion regime the phase gradient is still well described by k = FΩ , but the scale factor F depends on the initial distribution of the atoms. We also present modeling that explains this dependence.

  16. A Protocol for the Atomic Capture of Multiple Molecules at Large Scale

    CERN Document Server

    Bertier, Marin; Tedeschi, Cédric

    2012-01-01

    With the rise of service-oriented computing, applications are more and more based on coordination of autonomous services. Envisioned over largely distributed and highly dynamic platforms, expressing this coordination calls for alternative programming models. The chemical programming paradigm, which models applications as chemical solutions where molecules representing digital entities involved in the computation, react together to produce a result, has been recently shown to provide the needed abstractions for autonomic coordination of services. However, the execution of such programs over large scale platforms raises several problems hindering this paradigm to be actually leveraged. Among them, the atomic capture of molecules participating in concur- rent reactions is one of the most significant. In this paper, we propose a protocol for the atomic capture of these molecules distributed and evolving over a large scale platform. As the density of possible reactions is crucial for the liveness and efficiency of...

  17. Transmission electron microscopy studies of atomic ordering and crystal size determination on the nanometer scale

    International Nuclear Information System (INIS)

    Atomic ordering and site determination have been studied em areas of progressively smaller scale. In paper I we studied how AI and Si arc ordered in a π-AlFeMgSi matrix. Single crystal investigations were carried out using CBED for site-symmetry and refinement of atomic positions. Electron channelling was used to determine how Al and Si were arranged on atomic sites within the crystal. In paper III and IV, we studied MnO2 crystallites. The crystallites were of' nanometer size and therefore, in contrast to paper I and II, single crystal analysis could not be carried out. Instead, SAD was used to determine the arrangement of Mn atoms on the octahedral sites between oxygen hcp layers and also used to obtain information on how crystal and unit cell sizes vary within the film. The small size of nanocrystals generally limits the use of single crystal analysis techniques. However, electron channelling (or ALCHEMI) can be used to study the site arrangement of atoms in nanometer sized thin films if the film and substrate are coherent and if studied in plane view. This is explored m paper V. (Author)

  18. Quantum number dimensional scaling analysis for excited states of multielectron atoms

    CERN Document Server

    Murawski, R K; Murawski, Robert K.; Svidzinsky, Anatoly A.

    2006-01-01

    A new dimensional scaling method for the calculation of excited states of multielectron atoms is introduced. By including the principle and orbital quantum numbers in the dimension parameter, we obtain an energy expression for excited states including high angular momentum states. The method is tested on He, Li, and Be. We obtain good agreement with more orthodox quantum mechanical treatments even in the zeroth order.

  19. Analytical investigation of the feasibility of sacrificial microchannel sealing for Chip-Scale Atomic Magnetometers

    OpenAIRE

    Tsujimoto, Kazuya; Hirai, Yoshikazu; Sugano, Koji; Tsuchiya, Toshiyuki; TABATA, Osamu

    2014-01-01

    An alkali metal vapor cell is a crucial component of the highly sensitive Chip Scale Atomic Magnetometers (CSAMs) that are increasingly deployed in a variety of electronic devices. Herein, we propose a novel microfabrication technique utilizing an array of microchannels at a bonded interface, to enable gas feedthrough for evacuation of unwanted gases from a vapor cell and subsequent introduction of an inert gas, followed by permanent sealing of the microchannels by reflow of a glass frit. The...

  20. Mass scaling and non-adiabatic effects in photoassociation spectroscopy of ultracold strontium atoms

    OpenAIRE

    Borkowski, Mateusz; Morzyński, Piotr; Ciuryło, Roman; Julienne, Paul S.; Yan, Mi; DeSalvo, Brian J.; Killian, T. C.

    2014-01-01

    We report photoassociation spectroscopy of ultracold $^{86}$Sr atoms near the intercombination line and provide theoretical models to describe the obtained bound state energies. We show that using only the molecular states correlating with the $^1S_0$$+$$^3P_1$ asymptote is insufficient to provide a mass scaled theoretical model that would reproduce the bound state energies for all isotopes investigated to date: $^{84}$Sr, $^{86}$Sr and $^{88}$Sr. We attribute that to the recently discovered ...

  1. Sensitive measurement of forces at the micron scale using Bloch oscillations of ultracold atoms.

    Science.gov (United States)

    Carusotto, I; Pitaevskii, L; Stringari, S; Modugno, G; Inguscio, M

    2005-08-26

    We show that Bloch oscillations of ultracold fermionic atoms in the periodic potential of an optical lattice can be used for a sensitive measurement of forces at the micrometer length scale, e.g., in the vicinity of a dielectric surface. In particular, the proposed approach allows us to perform a local and direct measurement of the Casimir-Polder force which is, for realistic experimental parameters, as large as 10(-4) gravity.

  2. Atomic scale observations of bainite transformation in a high carbon high silicon steel

    OpenAIRE

    García Caballero, Francisca; Miller, M. K.; Babu, S. S.; García Mateo, Carlos

    2007-01-01

    A fine-scale bainitic microstructure with high strength and high toughness has been achieved by transforming austenite at 200 ºC. X-ray diffraction analysis showed the carbon concentration of these bainitic ferrite plates to be higher than expected from paraequilibrium. Atom probe tomography revealed that a substantial quantity of carbon was trapped at dislocations in the vicinity of the ferrite/austenite interface. These results suggest that the carbon trapping at dislocations...

  3. Atomic-scale photonic hybrids for mid-infrared and terahertz nanophotonics

    Science.gov (United States)

    Caldwell, Joshua D.; Vurgaftman, Igor; Tischler, Joseph G.; Glembocki, Orest J.; Owrutsky, Jeffrey C.; Reinecke, Thomas L.

    2016-01-01

    The field of nanophotonics focuses on the ability to confine light to nanoscale dimensions, typically much smaller than the wavelength of light. The goal is to develop light-based technologies that are impossible with traditional optics. Subdiffractional confinement can be achieved using either surface plasmon polaritons (SPPs) or surface phonon polaritons (SPhPs). SPPs can provide a gate-tunable, broad-bandwidth response, but suffer from high optical losses; whereas SPhPs offer a relatively low-loss, crystal-dependent optical response, but only over a narrow spectral range, with limited opportunities for active tunability. Here, motivated by the recent results from monolayer graphene and multilayer hexagonal boron nitride heterostructures, we discuss the potential of electromagnetic hybrids -- materials incorporating mixtures of SPPs and SPhPs -- for overcoming the limitations of the individual polaritons. Furthermore, we also propose a new type of atomic-scale hybrid the crystalline hybrid -- where mixtures of two or more atomic-scale (~3 nm or less) polar dielectric materials lead to the creation of a new material resulting from hybridized optic phonon behaviour of the constituents, potentially allowing direct control over the dielectric function. These atomic-scale hybrids expand the toolkit of materials for mid-infrared to terahertz nanophotonics and could enable the creation of novel actively tunable, yet low-loss optics at the nanoscale.

  4. Scaled plane-wave Born cross sections for atoms and molecules

    Science.gov (United States)

    Tanaka, H.; Brunger, M. J.; Campbell, L.; Kato, H.; Hoshino, M.; Rau, A. R. P.

    2016-04-01

    Integral cross sections for optically allowed electronic-state excitations of atoms and molecules by electron impact, by applying scaled plane-wave Born models, are reviewed. Over 40 years ago, Inokuti presented an influential review of charged-particle scattering, based on the theory pioneered by Bethe forty years earlier, which emphasized the importance of reliable cross-section data from low eV energies to high keV energies that are needed in many areas of radiation science with applications to astronomy, plasmas, and medicine. Yet, with a couple of possible exceptions, most computational methods in electron-atom scattering do not, in general, overlap each other's validity range in the region from threshold up to 300 eV and, in particular, in the intermediate region from 30 to 300 eV. This is even more so for electron-molecule scattering. In fact this entire energy range is of great importance and, to bridge the gap between the two regions of low and high energy, scaled plane-wave Born models were developed to provide reliable, comprehensive, and absolute integral cross sections, first for ionization by Kim and Rudd and then extended to optically allowed electronic-state excitation by Kim. These and other scaling models in a broad, general application to electron scattering from atoms and molecules, their theoretical basis, and their results for cross sections along with comparison to experimental measurements are reviewed. Where possible, these data are also compared to results from other computational approaches.

  5. Visualizing the large-$Z$ scaling of the kinetic energy density of atoms

    CERN Document Server

    Cancio, Antonio C

    2016-01-01

    The scaling of neutral atoms to large $Z$, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of energies, insights can also be gained from energy densities. We visualize the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly-varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models...

  6. Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer.

    Science.gov (United States)

    Schulz, Roland; Lindner, Benjamin; Petridis, Loukas; Smith, Jeremy C

    2009-10-13

    A strategy is described for a fast all-atom molecular dynamics simulation of multimillion-atom biological systems on massively parallel supercomputers. The strategy is developed using benchmark systems of particular interest to bioenergy research, comprising models of cellulose and lignocellulosic biomass in an aqueous solution. The approach involves using the reaction field (RF) method for the computation of long-range electrostatic interactions, which permits efficient scaling on many thousands of cores. Although the range of applicability of the RF method for biomolecular systems remains to be demonstrated, for the benchmark systems the use of the RF produces molecular dipole moments, Kirkwood G factors, other structural properties, and mean-square fluctuations in excellent agreement with those obtained with the commonly used Particle Mesh Ewald method. With RF, three million- and five million-atom biological systems scale well up to ∼30k cores, producing ∼30 ns/day. Atomistic simulations of very large systems for time scales approaching the microsecond would, therefore, appear now to be within reach. PMID:26631792

  7. High-mobility three-atom-thick semiconducting films with wafer-scale homogeneity.

    Science.gov (United States)

    Kang, Kibum; Xie, Saien; Huang, Lujie; Han, Yimo; Huang, Pinshane Y; Mak, Kin Fai; Kim, Cheol-Joo; Muller, David; Park, Jiwoong

    2015-04-30

    The large-scale growth of semiconducting thin films forms the basis of modern electronics and optoelectronics. A decrease in film thickness to the ultimate limit of the atomic, sub-nanometre length scale, a difficult limit for traditional semiconductors (such as Si and GaAs), would bring wide benefits for applications in ultrathin and flexible electronics, photovoltaics and display technology. For this, transition-metal dichalcogenides (TMDs), which can form stable three-atom-thick monolayers, provide ideal semiconducting materials with high electrical carrier mobility, and their large-scale growth on insulating substrates would enable the batch fabrication of atomically thin high-performance transistors and photodetectors on a technologically relevant scale without film transfer. In addition, their unique electronic band structures provide novel ways of enhancing the functionalities of such devices, including the large excitonic effect, bandgap modulation, indirect-to-direct bandgap transition, piezoelectricity and valleytronics. However, the large-scale growth of monolayer TMD films with spatial homogeneity and high electrical performance remains an unsolved challenge. Here we report the preparation of high-mobility 4-inch wafer-scale films of monolayer molybdenum disulphide (MoS2) and tungsten disulphide, grown directly on insulating SiO2 substrates, with excellent spatial homogeneity over the entire films. They are grown with a newly developed, metal-organic chemical vapour deposition technique, and show high electrical performance, including an electron mobility of 30 cm(2) V(-1) s(-1) at room temperature and 114 cm(2) V(-1) s(-1) at 90 K for MoS2, with little dependence on position or channel length. With the use of these films we successfully demonstrate the wafer-scale batch fabrication of high-performance monolayer MoS2 field-effect transistors with a 99% device yield and the multi-level fabrication of vertically stacked transistor devices for three

  8. Ultrasensitive magnetometer using a single atom

    CERN Document Server

    Baumgart, I; Retzker, A; Plenio, M B; Wunderlich, Ch

    2014-01-01

    Precision sensing, and in particular high precision magnetometry, is a central goal of research into quantum technologies. For magnetometers often trade-offs exist between sensitivity, spatial resolution, and frequency range. The precision, and thus the sensitivity of magnetometry scales as $1/\\sqrt {T_2}$ with the phase coherence time, $T_2$, of the sensing system playing the role of a key determinant. Adapting a dynamical decoupling scheme that allows for extending $T_2$ by orders of magnitude and merging it with a magnetic sensing protocol, we achieve a measurement sensitivity even for high frequency fields close to the standard quantum limit. Using a single atomic ion as a sensor, we experimentally attain a sensitivity of $4$ pT Hz$^{-1/2}$ for an alternating-current (AC) magnetic field near 14 MHz. Based on the principle demonstrated here, this unprecedented sensitivity combined with spatial resolution in the nanometer range and tuneability from direct-current to the gigahertz range could be used for mag...

  9. Ultra-sensitive atomic spin measurements with a nonlinear interferometer

    CERN Document Server

    Sewell, R J; Behbood, N; Colangelo, G; Ciurana, F Martin; Mitchell, M W

    2013-01-01

    Quantum metrology studies and improves quantum-limited ultra-sensitive measurements. Both linear interferometers, e.g. gravitational wave observatories, and nonlinear interferometers, e.g. optical magnetometers, have been enhanced by quantum metrology. The sensitivities of nonlinear interferometers scale better with system size than even quantum-enhanced linear interferometers, so-called `super-Heisenberg scaling', but it is actively debated whether this scaling can lead to better absolute sensitivity. Here we demonstrate a nonlinear measurement that surpasses, through super-Heisenberg scaling, the best possible linear measurement of the same quantity. We use alignment-to-orientation conversion, a practical magnetometry technique, to make a quantum non-demolition measurement of the spin alignment of a sample of $^{87}$Rb atoms. We observe absolute sensitivity 9 dB beyond the best comparable linear measurement and measurement-induced spin squeezing. The results provide insight into ultra-sensitive magnetometer...

  10. Delaminated graphene at silicon carbide facets: atomic scale imaging and spectroscopy.

    Science.gov (United States)

    Nicotra, Giuseppe; Ramasse, Quentin M; Deretzis, Ioannis; La Magna, Antonino; Spinella, Corrado; Giannazzo, Filippo

    2013-04-23

    Atomic-resolution structural and spectroscopic characterization techniques (scanning transmission electron microscopy and electron energy loss spectroscopy) are combined with nanoscale electrical measurements (conductive atomic force microscopy) to study at the atomic scale the properties of graphene grown epitaxially through the controlled graphitization of a hexagonal SiC(0001) substrate by high temperature annealing. This growth technique is known to result in a pronounced electron-doping (∼10(13) cm(-2)) of graphene, which is thought to originate from an interface carbon buffer layer strongly bound to the substrate. The scanning transmission electron microscopy analysis, carried out at an energy below the knock-on threshold for carbon to ensure no damage is imparted to the film by the electron beam, demonstrates that the buffer layer present on the planar SiC(0001) face delaminates from it on the (112n) facets of SiC surface steps. In addition, electron energy loss spectroscopy reveals that the delaminated layer has a similar electronic configuration to purely sp2-hybridized graphene. These observations are used to explain the local increase of the graphene sheet resistance measured around the surface steps by conductive atomic force microscopy, which we suggest is due to significantly lower substrate-induced doping and a resonant scattering mechanism at the step regions. A first-principles-calibrated theoretical model is proposed to explain the structural instability of the buffer layer on the SiC facets and the resulting delamination.

  11. Atomic-scale electrochemistry on the surface of a manganite by scanning tunneling microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Vasudevan, Rama K., E-mail: rvv@ornl.gov; Tselev, Alexander; Baddorf, Arthur P. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); ORNL Institute for Functional Imaging of Materials, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Gianfrancesco, Anthony G. [UT/ORNL Bredesen Center, University of Tennessee, Knoxville, Tennessee 37996 (United States); Kalinin, Sergei V. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); ORNL Institute for Functional Imaging of Materials, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); UT/ORNL Bredesen Center, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2015-04-06

    The doped manganese oxides (manganites) have been widely studied for their colossal magnetoresistive effects, for potential applications in oxide spintronics, electroforming in resistive switching devices, and are materials of choice as cathodes in modern solid oxide fuel cells. However, little experimental knowledge of the dynamics of the surfaces of perovskite manganites at the atomic scale exists. Here, through in-situ scanning tunneling microscopy (STM), we demonstrate atomic resolution on samples of La{sub 0.625}Ca{sub 0.375}MnO{sub 3} grown on (001) SrTiO{sub 3} by pulsed laser deposition. Furthermore, by applying triangular DC waveforms of increasing amplitude to the STM tip, and measuring the tunneling current, we demonstrate the ability to both perform and monitor surface electrochemical processes at the atomic level, including formation of oxygen vacancies and removal and deposition of individual atomic units or clusters. Our work paves the way for better understanding of surface oxygen reactions in these systems.

  12. Ultralow-Noise Atomic-Scale Structures for Quantum Circuitry in Silicon.

    Science.gov (United States)

    Shamim, Saquib; Weber, Bent; Thompson, Daniel W; Simmons, Michelle Y; Ghosh, Arindam

    2016-09-14

    The atomically precise doping of silicon with phosphorus (Si:P) using scanning tunneling microscopy (STM) promises ultimate miniaturization of field effect transistors. The one-dimensional (1D) Si:P nanowires are of particular interest, retaining exceptional conductivity down to the atomic scale, and are predicted as interconnects for a scalable silicon-based quantum computer. Here, we show that ultrathin Si:P nanowires form one of the most-stable electrical conductors, with the phenomenological Hooge parameter of low-frequency noise being as low as ≈10(-8) at 4.2 K, nearly 3 orders of magnitude lower than even carbon-nanotube-based 1D conductors. A in-built isolation from the surface charge fluctuations due to encapsulation of the wires within the epitaxial Si matrix is the dominant cause for the observed suppression of noise. Apart from quantum information technology, our results confirm the promising prospects for precision-doped Si:P structures in atomic-scale circuitry for the 11 nm technology node and beyond. PMID:27525390

  13. Temperature Dependent Dislocation Mobility in MgSiO3 Perovskite: An Atomic Scale Study

    Science.gov (United States)

    Kraych, A.; Hirel, P.; Carrez, P.; Cordier, P.

    2014-12-01

    Heat transfer through the mantle is carried by convection, which involves plastic flow of the mantle constituents. Among these constituents, (Mg,Fe,Al)(Si,Al)O3 perovskite is known to be the most abundant. This material is deformed at very low strain rate (from 10-12 to 10-16 s-1), and under extreme pressure and temperature conditions (from 30 to 140GPa, 1500 to 4000°C). Its plastic behaviour is challenging to reproduce experimentally, but crucial for a better understanding of the Earth's dynamic. The recent progress in modelling the behaviours of materials, which until now have been mostly used on metals, are applied here on MgSiO3 perovskite (Mg-Pv). We characterize dislocations at the atomic scale, as the first step of a multi-scale modelling approach on Mg-Pv plastic deformation. We model dislocations with [100] and [010] Burgers vectors (described within the Pbnm space group), which are the shortest lattice parameters in the orthorhombic structure. Dislocation cores are determined to be described at various pressures. The resistance to glide of the dislocations is quantified indicating that [100](010) and [010](100) are the easiest slip systems in Mg-Pv over the full pressure range of the lower mantle. The effect of temperature is introduced by assimilating the thermal activation on dislocation lines to vibrations of a string lying into a potential valley. These vibrations allow the dislocation to overcome locally the energy barrier that represents the lattice friction, and then propagates under the effect of stress. With this model, by combining elastic theory of dislocations and calculations at the atomic scale, a first expression of the strain rate produced by dislocation glide is provided.Left figure : Thermally activated propagation of dislocation over the energy barrierRight figure : Shape of the crossing dislocation obtained from atomic scale modelling

  14. Analysis of Carbon Nanotubes on the Mechanical Properties at Atomic Scale

    Directory of Open Access Journals (Sweden)

    Xiaowen Lei

    2011-01-01

    Full Text Available This paper aims at developing a mathematic model to characterize the mechanical properties of single-walled carbon nanotubes (SWCNTs. The carbon-carbon (C–C bonds between two adjacent atoms are modeled as Euler beams. According to the relationship of Tersoff-Brenner force theory and potential energy acting on C–C bonds, material constants of beam element are determined at the atomic scale. Based on the elastic deformation energy and mechanical equilibrium of a unit in graphite sheet, simply form ED equations of calculating Young's modulus of armchair and zigzag graphite sheets are derived. Following with the geometrical relationship of SWCNTs in cylindrical coordinates and the structure mechanics approach, Young's modulus and Poisson's ratio of armchair and zigzag SWCNTs are also investigated. The results show that the approach to research mechanical properties of SWCNTs is a concise and valid method. We consider that it will be useful technique to progress on this type of investigation.

  15. Atomic-scale chemical quantification of oxide interfaces using energy-dispersive X-ray spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Ping; Van Benthem, Mark [Sandia National Laboratories, P.O. Box 5800, MS 1411, Albuquerque, New Mexico 87185-1411 (United States); Xiong, Jie; Jia, Quanxi [Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2013-04-29

    Atomic-scale quantification of chemical composition across oxide interfaces is important for understanding physical properties of epitaxial oxide nanostructures. Energy-dispersive X-ray spectroscopy (EDS) in an aberration-corrected scanning transmission electron microscope was used to quantify chemical composition across the interface of ferromagnetic La{sub 0.7}Sr{sub 0.3}MnO{sub 3} and antiferromagnetic BiFeO{sub 3} quantum structure. This research demonstrates that chemical composition at atomic columns can be quantified by Gaussian peak-fitting of EDS compositional profiles across the interface. Cation diffusion was observed at both A- and B-sublattice sites; and asymmetric chemical profiles exist across the interface, consistent with the previous studies.

  16. Quantitative bond energetics in atomic-scale junctions with significant van der Waals character

    Science.gov (United States)

    Venkataraman, Latha; Aradhya, Sriharsha; Hybertsen, Mark

    2015-03-01

    A direct measurement of the potential energy surface that characterizes individual chemical bonds in complex materials has fundamental significance for many disciplines. Here, we demonstrate that the energy profile for metallic single-atom contacts and single-molecule junctions can be mapped by fitting ambient atomic force microscope measurements carried out in the near-equilibrium regime to a physical, but simple, functional form. In particular we are able to extract bond energies for metal-molecule link bonds in cases where the interaction has significant contribution from nonspecific interactions attributed to van der Waals (vdW) interactions at short length scale in addition to specific donor-acceptor bonds. Our approach significantly expands the quantitative information extracted from these measurements, allowing direct comparisons to density functional theory (DFT) calculations instead of relying on trends in bond rupture forces alone. Currently at Cornell University.

  17. Continuous description of a grain boundary in forsterite from atomic scale simulations: the role of disclinations

    Science.gov (United States)

    Sun, Xiao-Yu; Cordier, Patrick; Taupin, Vincent; Fressengeas, Claude; Jahn, Sandro

    2016-06-01

    We present continuous modelling at inter-atomic scale of a high-angle symmetric tilt boundary in forsterite. The model is grounded in periodic arrays of dislocation and disclination dipoles built on information gathered from discrete atomistic configurations generated by molecular dynamics simulations. The displacement, distortion (strain and rotation), curvature, dislocation and disclination density fields are determined in the boundary area using finite difference and interpolation techniques between atomic sites. The distortion fields of the O, Si and Mg sub-lattices are detailed to compare their roles in the accommodation of lattice incompatibility along the boundary. It is shown that the strain and curvature fields associated with the dislocation and disclination fields in the 'skeleton' O and Si sub-lattices accommodate the tilt incompatibility, whereas the elastic strain and rotation fields of the Mg sub-lattice are essentially compatible and induce stresses balancing the incompatibility stresses in the overall equilibrium.

  18. Thin Film of Perovskite Oxide with Atomic Scale p-n Junctions

    Institute of Scientific and Technical Information of China (English)

    HU Bin; HUANG Ke-ke; HOU Chang-min; YUAN Hong-ming; PANG Guang-sheng; FENG Shou-hua

    2012-01-01

    Thin films of perovskite manganese oxide La0.66Ca0.29K0.05MnO3(LCKMO) on Au/ITO(ITO=indium tin oxide) substrates were prepared by off-axis radio frequency magnetron sputtering and characterized by X-ray diffraction(XRD),high-resolution transmission electron microscopy(HRTEM),and conductive atomic force microscopy (C-AFM) at room temperature.The thin films with thickness ranged from 100 nm to 300 nm basically show cubic structures with a=0.3886 nm,the same as that of the raw material used,but the structures are highly modulated.C-AFM results revealed that the atomic scale p-n junction feature of the thin films was the same as that of the single crystals.The preparation of the thin films thus further confirms the possibility of their application extending from micrometer-sized single crystals to macroscopic thin film.

  19. Atomic-scale structure of grain boundaries: Correlations to grain boundary properties

    International Nuclear Information System (INIS)

    It is generally believed that many properties of solid interfaces are ultimately determined by their structure and composition at the atomic level. We report here on work in two areas of grain boundary (GB) research in which structure-property correlations have been investigated recently. HREM observations in connection with computer modeling of GBs in fcc metals have given considerable insight into correlations between GB energy and atomic-scale GB structure. Efforts to understand and possibly control the supercurrent transport behavior across GBs in high-temperature superconductors require the combination of microstructure characterizations with investigations of electric transport properties. In both areas considerable progress is being made and has already lead to important insights concerning interfacial properties

  20. Atomic scale control and understanding of cubic silicon carbide surface reconstructions, nanostructures and nanochemistry

    Science.gov (United States)

    Soukiassian, Patrick G.; Enriquez, Hanna B.

    2004-05-01

    The atomic scale ordering and properties of cubic silicon carbide (bgr-SiC) surfaces and nanostructures are investigated by atom-resolved room and high-temperature scanning tunnelling microscopy (STM) and spectroscopy (STS), synchrotron radiation-based valence band and core level photoelectron spectroscopy (VB-PES, CL-PES) and grazing incidence x-ray diffraction (GIXRD). In this paper, we review the latest results on the atomic scale understanding of (i) the structure of bgr-SiC(100) surface reconstructions, (ii) temperature-induced metallic surface phase transition, (iii) one dimensional Si(C) self-organized nanostructures having unprecedented characteristics, and on (iv) nanochemistry at SiC surfaces with hydrogen. The organization of these surface reconstructions as well as the 1D nanostructures' self-organization are primarily driven by surface stress. In this paper, we address such important issues as (i) the structure of the Si-rich 3 × 2, the Si-terminated c (4 × 2), the C-terminated c (2 × 2) reconstructions of the bgr-SiC(100) surface, (ii) the temperature-induced reversible {\\mathrm {c}}(4\\times 2) \\Leftrightarrow 2\\times 1 metallic phase transition, (iii) the formation of highly stable (up to 900 °C) Si atomic and vacancy lines, (iv) the temperature-induced sp to sp3 diamond like surface transformation, and (v) the first example of H-induced semiconductor surface metallization on the bgr-SiC (100) 3 × 2 surface. The results are discussed and compared to other experimental and theoretical investigations.

  1. Aerosol cluster impact and break-up : II. Atomic and Cluster Scale Models.

    Energy Technology Data Exchange (ETDEWEB)

    Lechman, Jeremy B.; Takato, Yoichi (State University of New York at Buffalo, Buffalo, NY)

    2010-09-01

    Understanding the interaction of aerosol particle clusters/flocs with surfaces is an area of interest for a number of processes in chemical, pharmaceutical, and powder manufacturing as well as in steam-tube rupture in nuclear power plants. Developing predictive capabilities for these applications involves coupled phenomena on multiple length and timescales from the process macroscopic scale ({approx}1m) to the multi-cluster interaction scale (1mm-0.1m) to the single cluster scale ({approx}1000 - 10000 particles) to the particle scale (10nm-10{micro}m) interactions, and on down to the sub-particle, atomic scale interactions. The focus of this report is on the single cluster scale; although work directed toward developing better models of particle-particle interactions by considering sub-particle scale interactions and phenomena is also described. In particular, results of mesoscale (i.e., particle to single cluster scale) discrete element method (DEM) simulations for aerosol cluster impact with rigid walls are presented. The particle-particle interaction model is based on JKR adhesion theory and is implemented as an enhancement to the granular package in the LAMMPS code. The theory behind the model is outlined and preliminary results are shown. Additionally, as mentioned, results from atomistic classical molecular dynamics simulations are also described as a means of developing higher fidelity models of particle-particle interactions. Ultimately, the results from these and other studies at various scales must be collated to provide systems level models with accurate 'sub-grid' information for design, analysis and control of the underlying systems processes.

  2. Spin precession by pulsed inductive magnetometry in thin amorphous plates

    Science.gov (United States)

    Magni, Alessandro; Bottauscio, Oriano; Caprile, Ambra; Celegato, Federica; Ferrara, Enzo; Fiorillo, Fausto

    2014-05-01

    Broadband magnetic loss and damping behavior of Co-based amorphous ribbons and thin films have been investigated. The permeability and loss response of the transverse anisotropy ribbon samples in the frequency range DC to 1 GHz is interpreted in terms of combined and distinguishable contributions to the magnetization process by domain wall displacements and magnetization rotations. The latter alone are shown to survive at the highest frequencies, where the losses are calculated via coupled Maxwell and Landau-Lifshitz-Gilbert (LLG) equations. Remarkably high values of the LLG damping coefficient α = 0.1-0.2 are invoked in this theoretical prediction. Direct measurements of α by pulsed inductive microwave magnetometry are thus performed, both in these laminae and in amorphous films of identical composition, obtaining about one order of magnitude increase of the α value upon the 100 nm÷10 μm thickness range. This confirms that dissipation by eddy currents enters the LLG equation via large increase of the damping coefficient.

  3. Scaled-energy spectroscopy of helium \\|M\\|=1 Rydberg atoms in a static electric field

    Science.gov (United States)

    Kips, Annemieke; Vassen, Wim; Hogervorst, Wim; Dando, Paul A.

    1998-10-01

    We present scaled-energy spectra on helium Rydberg atoms in a static electric field. \\|M\\|=1 states were studied in excitation from the 2 1S0 metastable state. Spectra were recorded for ɛ=-2.940(4), ɛ=-2.350(4), both below the saddle point, and ɛ=-1.760(4), above the saddle point. Closed-orbit theory was applied to interpret the spectra. A recent extension to closed-orbit theory, incorporating core effects, was used. This significantly improved agreement between experiment and theory.

  4. Single atom-scale diamond defect allows a large Aharonov-Casher phase

    International Nuclear Information System (INIS)

    We propose an experiment that would produce and measure a large Aharonov-Casher (AC) phase in a solid-state system under macroscopic motion. A diamond crystal is mounted on a spinning disk in the presence of a uniform electric field. Internal magnetic states of a single nitrogen-vacancy (N-V) defect, replacing interferometer trajectories, are coherently controlled by microwave pulses. The AC phase shift is manifested as a relative phase, of up to 17 radians, between components of a superposition of magnetic substates, which is two orders of magnitude larger than that measured in any other atom-scale quantum system.

  5. General Atomic Reprocessing Pilot Plant: engineering-scale dissolution system description

    International Nuclear Information System (INIS)

    In February 1978, a dissolver-centrifuge system was added to the cold reprocessing pilot plant at General Atomic Company, which completed the installation of an HTGR fuel head-end reprocessing pilot plant. This report describes the engineering-scale equipment in the pilot plant and summarizes the design features derived from development work performed in the last few years. The dissolver operating cycles for both thorium containing BISO and uranium containinng WAR fissile fuels are included. A continuous vertical centrifuge is used to clarify the resultant dissolver product solution. Process instrumentation and controls for the system reflect design philosophy suitable for remote operation

  6. Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction of Pt

    DEFF Research Database (Denmark)

    Tritsaris, Georgios; Greeley, Jeffrey Philip; Rossmeisl, Jan;

    2011-01-01

    both the specific and mass activities for particle sizes in the range between 2 and 30 nm. The mass activity is calculated to be maximized for particles of a diameter between 2 and 4 nm. Our study demonstrates how an atomic-scale description of the surface microstructure is a key component in...... understanding particle size effects on the activity of catalytic nanoparticles.......We estimate the activity of the oxygen reduction reaction on platinum nanoparticles of sizes of practical importance. The proposed model explicitly accounts for surface irregularities and their effect on the activity of neighboring sites. The model reproduces the experimentally observed trends in...

  7. Homotopy-Theoretic Study &Atomic-Scale Observation of Vortex Domains in Hexagonal Manganites.

    Science.gov (United States)

    Li, Jun; Chiang, Fu-Kuo; Chen, Zhen; Ma, Chao; Chu, Ming-Wen; Chen, Cheng-Hsuan; Tian, Huanfang; Yang, Huaixin; Li, Jianqi

    2016-01-01

    Essential structural properties of the non-trivial "string-wall-bounded" topological defects in hexagonal manganites are studied through homotopy group theory and spherical aberration-corrected scanning transmission electron microscopy. The appearance of a "string-wall-bounded" configuration in RMnO3 is shown to be strongly linked with the transformation of the degeneracy space. The defect core regions (~50 Å) mainly adopt the continuous U(1) symmetry of the high-temperature phase, which is essential for the formation and proliferation of vortices. Direct visualization of vortex strings at atomic scale provides insight into the mechanisms and macro-behavior of topological defects in crystalline materials.

  8. Spin-flip induction of Fano resonance upon electron tunneling through atomic-scale spin structures

    Energy Technology Data Exchange (ETDEWEB)

    Val' kov, V. V., E-mail: vvv@iph.krasn.ru; Aksenov, S. V., E-mail: asv86@iph.krasn.ru [Russian Academy of Sciences, Siberian Branch, Kirensky Institute of Physics (Russian Federation); Ulanov, E. A. [Siberian State Aerospace University (Russian Federation)

    2013-05-15

    The inclusion of inelastic spin-dependent electron scatterings by the potential profiles of a single magnetic impurity and a spin dimer is shown to induce resonance features due to the Fano effect in the transport characteristics of such atomic-scale spin structures. The spin-flip processes leading to a configuration interaction of the system's states play a fundamental role for the realization of Fano resonance and antiresonance. It has been established that applying an external magnetic field and a gate electric field allows the conductive properties of spin structures to be changed radically through the Fano resonance mechanism.

  9. Ultrafast, laser-based, x-ray science: the dawn of atomic-scale cinematography

    Energy Technology Data Exchange (ETDEWEB)

    Barty, C.P.J. [University of California, Department of Applied Mechanics and Engineering Science, Urey Hall, Mali Code 0339, San Diego, La Jolla, CA (United States)

    2000-03-01

    The characteristics of ultrafast chirped pulse amplification systems are reviewed. Application of ultrafast chirped pulse amplification to the generation of femtosecond, incoherent, 8-keV line radiation is outlined and the use of femtosecond laser-based, x-rays for novel time-resolved diffraction studies of crystalline dynamics with sub-picosecond temporal resolution and sub-picometer spatial resolution is reviewed in detail. Possible extensions of laser-based, x-ray technology and evaluation of alternative x-ray approaches for time-resolved studies of the atomic scale dynamics are given. (author)

  10. Atomic-scale simulations of the mechanical deformation of nanocrystalline metals

    DEFF Research Database (Denmark)

    Schiøtz, Jakob; Vegge, Tejs; Di Tolla, Francesco;

    1999-01-01

    Nanocrystalline metals, i.e., metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the plastic behavior of nanocrystalline copper. The simulations sh...... temperatures the material becomes softer in both the plastic and elastic regime. Porosity in the samples result in a softening of the material; this may be a significant effect in many experiments. [S0163-1829(99)05941-X]....

  11. Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Bertolus, Marjorie, E-mail: marjorie.bertolus@cea.fr [CEA, DEN, DEC/SESC, Centre de Cadarache, 13108 Saint-Paul-lez-Durance (France); Freyss, Michel; Dorado, Boris; Martin, Guillaume; Hoang, Kiet; Maillard, Serge; Skorek, Richard; Garcia, Philippe; Valot, Carole [CEA, DEN, DEC/SESC, Centre de Cadarache, 13108 Saint-Paul-lez-Durance (France); Chartier, Alain; Van Brutzel, Laurent; Fossati, Paul [CEA, DEN, DPC/SCCME, 91191 Gif-sur-Yvette (France); Grimes, Robin W.; Parfitt, David C.; Bishop, Clare L.; Murphy, Samuel T.; Rushton, Michael J.D. [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Staicu, Dragos; Yakub, Eugen; Nichenko, Sergii [European Commission, Joint Research Centre, Institute for Transuranium Elements, 76125 Karlsruhe (Germany); and others

    2015-07-15

    This article presents a synthesis of the investigations at the atomic scale of the transport properties of defects and fission gases in uranium dioxide, as well as of the transfer of results from the atomic scale to models at the mesoscopic scale, performed during the F-BRIDGE European project (2008–2012). We first present the mesoscale models used to investigate uranium oxide fuel under irradiation, and in particular the cluster dynamics and kinetic Monte Carlo methods employed to model the behaviour of defects and fission gases in UO{sub 2}, as well as the parameters of these models. Second, we describe briefly the atomic scale methods employed, i.e. electronic structure calculations and empirical potential methods. Then, we show the results of the calculation of the data necessary for the mesoscale models using these atomic scale methods. Finally, we summarise the links built between the atomic and mesoscopic scale by listing the data calculated at the atomic scale which are to be used as input in mesoscale modelling. Despite specific difficulties in the description of fuel materials, the results obtained in F-BRIDGE show that atomic scale modelling methods are now mature enough to obtain precise data to feed higher scale models and help interpret experiments on nuclear fuels. These methods bring valuable insight, in particular the formation, binding and migration energies of point and extended defects, fission product localization, incorporation energies and migration pathways, elementary mechanisms of irradiation induced processes. These studies open the way for the investigation of other significant phenomena involved in fuel behaviour, in particular the thermochemical and thermomechanical properties and their evolution in-pile, complex microstructures, as well as of more complex fuels.

  12. Energy corrugation in atomic-scale friction on graphite revisited by molecular dynamics simulations

    Science.gov (United States)

    Sun, Xiao-Yu; Qi, Yi-Zhou; Ouyang, Wengen; Feng, Xi-Qiao; Li, Qunyang

    2016-08-01

    Although atomic stick-slip friction has been extensively studied since its first demonstration on graphite, the physical understanding of this dissipation-dominated phenomenon is still very limited. In this work, we perform molecular dynamics (MD) simulations to study the frictional behavior of a diamond tip sliding over a graphite surface. In contrast to the common wisdom, our MD results suggest that the energy barrier associated lateral sliding (known as energy corrugation) comes not only from interaction between the tip and the top layer of graphite but also from interactions among the deformed atomic layers of graphite. Due to the competition of these two subentries, friction on graphite can be tuned by controlling the relative adhesion of different interfaces. For relatively low tip-graphite adhesion, friction behaves normally and increases with increasing normal load. However, for relatively high tip-graphite adhesion, friction increases unusually with decreasing normal load leading to an effectively negative coefficient of friction, which is consistent with the recent experimental observations on chemically modified graphite. Our results provide a new insight into the physical origins of energy corrugation in atomic scale friction.

  13. Energy corrugation in atomic-scale friction on graphite revisited by molecular dynamics simulations

    Institute of Scientific and Technical Information of China (English)

    Xiao-Yu Sun; Yi-Zhou Qi; Wengen Ouyang; Xi-Qiao Feng; Qunyang Li

    2016-01-01

    Although atomic stick–slip friction has been extensively studied since its first demonstration on graphite, the physical understanding of this dissipation-dominated phenomenon is still very limited. In this work, we perform molecular dynamics (MD) simulations to study the frictional behavior of a diamond tip sliding over a graphite surface. In contrast to the common wisdom, our MD results suggest that the energy barrier associated lateral sliding (known as energy corrugation) comes not only from interaction between the tip and the top layer of graphite but also from interactions among the deformed atomic layers of graphite. Due to the competi-tion of these two subentries, friction on graphite can be tuned by controlling the relative adhesion of different interfaces. For relatively low tip-graphite adhesion, friction behaves nor-mally and increases with increasing normal load. However, for relatively high tip-graphite adhesion, friction increases unusually with decreasing normal load leading to an effec-tively negative coefficient of friction, which is consistent with the recent experimental observations on chemically modified graphite. Our results provide a new insight into the physical origins of energy corrugation in atomic scale friction.

  14. Atomic-Scale Engineering of Abrupt Interface for Direct Spin Contact of Ferromagnetic Semiconductor with Silicon

    Science.gov (United States)

    Averyanov, Dmitry V.; Karateeva, Christina G.; Karateev, Igor A.; Tokmachev, Andrey M.; Vasiliev, Alexander L.; Zolotarev, Sergey I.; Likhachev, Igor A.; Storchak, Vyacheslav G.

    2016-01-01

    Control and manipulation of the spin of conduction electrons in industrial semiconductors such as silicon are suggested as an operating principle for a new generation of spintronic devices. Coherent injection of spin-polarized carriers into Si is a key to this novel technology. It is contingent on our ability to engineer flawless interfaces of Si with a spin injector to prevent spin-flip scattering. The unique properties of the ferromagnetic semiconductor EuO make it a prospective spin injector into silicon. Recent advances in the epitaxial integration of EuO with Si bring the manufacturing of a direct spin contact within reach. Here we employ transmission electron microscopy to study the interface EuO/Si with atomic-scale resolution. We report techniques for interface control on a submonolayer scale through surface reconstruction. Thus we prevent formation of alien phases and imperfections detrimental to spin injection. This development opens a new avenue for semiconductor spintronics. PMID:26957146

  15. Long-lived BLOCH oscillations with bosonic sr atoms and application to gravity measurement at the micrometer scale.

    Science.gov (United States)

    Ferrari, G; Poli, N; Sorrentino, F; Tino, G M

    2006-08-11

    We report on the observation of Bloch oscillations on the unprecedented time scale of several seconds. The experiment is carried out with ultracold bosonic 88Sr atoms loaded into a vertical optical standing wave. The negligible atom-atom elastic cross section and zero angular momentum in the ground state makes 88Sr an almost ideal Bose gas, insensitive to typical mechanisms of decoherence due to thermalization and external stray fields. The small size of the system enables precision measurements of forces at micrometer scale. This is a challenge in physics for studies of surfaces, Casimir effects, and searches for deviations from Newtonian gravity predicted by theories beyond the standard model.

  16. Fabrication of large scale nanostructures based on a modified atomic force microscope nanomechanical machining system.

    Science.gov (United States)

    Hu, Z J; Yan, Y D; Zhao, X S; Gao, D W; Wei, Y Y; Wang, J H

    2011-12-01

    The atomic force microscope (AFM) tip-based nanomechanical machining has been demonstrated to be a powerful tool for fabricating complex 2D∕3D nanostructures. But the machining scale is very small, which holds back this technique severely. How to enlarge the machining scale is always a major concern for the researches. In the present study, a modified AFM tip-based nanomechanical machining system is established through combination of a high precision X-Y stage with the moving range of 100 mm × 100 mm and a commercial AFM in order to enlarge the machining scale. It is found that the tracing property of the AFM system is feasible for large scale machining by controlling the constant normal load. Effects of the machining parameters including the machining direction and the tip geometry on the uniform machined depth with a large scale are evaluated. Consequently, a new tip trace and an increasing load scheme are presented to achieve a uniform machined depth. Finally, a polymer nanoline array with the dimensions of 1 mm × 0.7 mm, the line density of 1000 lines/mm and the average machined depth of 150 nm, and a 20 × 20 polymer square holes array with the scale of 380 μm × 380 μm and the average machined depth of 250 nm are machined successfully. The uniform of the machined depths for all the nanostructures is acceptable. Therefore, it is verified that the AFM tip-based nanomechanical machining method can be used to machine millimeter scale nanostructures.

  17. Large-scale synthesis of WSe2 atomic layers on SiO2/Si

    Science.gov (United States)

    Cao, Hui-Wen; Zhao, Hai-Ming; Xin, Xin; Shao, Peng-Zhi; Qi, Han-Yu; Jian, Mu-Qiang; Zhang, Ying-Ying; Yang, Yi; Ren, Tian-Ling

    2016-06-01

    We report a systematic study of large-scale growth of high-quality WSe2 atomic layers directly on SiO2/Si substrates using a convenient method. Various parameters, especially growth temperatures, flow rate of carrier gas and tube pressure, are investigated in affecting the properties of as-grown WSe2 flakes in terms of their sizes, shapes and thickness. The pre-annealing step is demonstrated to be a key role in achieving the large-scale growth. Under an optimized condition, the lateral size of triangular single-crystal monolayer WSe2 is up to 30 μm and the area of the monolayer thin film can be up to 0.25 mm2. And some other interesting features, such as nanoflowers, are observed, which are a promising for catalyzing research. Raman spectrum and microphotoluminescence indicate distinct layer dependent efficiency. Auger electron spectroscopy (AES) studies demonstrate the atomic concentration of the as-grown WSe2. Electrical transport further shows that the p-type WSe2 field-effect transistors exhibit excellent electrical properties with carrier mobility of ˜64 cm2ṡV‑1ṡs‑1 and current on/off ratio over 105. These results are comparable to the exfoliated materials.

  18. Atomic-Scale Study Of Complex Cobalt Oxide Using Scanning Transmission Electron Microscope

    Science.gov (United States)

    Gulec, Ahmet

    Cobalt oxides offer a rich ?eld for the formation of novel phases, including superconductors and exotic magnetic phases, involving a mixed valence state for cobalt and/or the presence of oxygen vacancies. Having spin states, such as, low spin (LS), high spin (HS), and intermediate spin (IS), cobalt oxides differ from other 3d metal oxides The presence of such spin states make the physics of the cobalt oxides so complicated that it has not yet been completely understood. In order to improve our understanding of the various phase transitions observed in Cobalt oxides and to comprehend the relationship between crystal and electronic structure, both high energy resolution and high spatial resolution are essential. Fortunately, transmission electron microscopy (TEM) is a technique which is capable of ful?lling both of these requirements. In this thesis, I have utilized unique techniques in a scanning transmission electron microscope (STEM) to analyze the atomic-scale structure-property relationship, both at room temperature and through insitu cooling to liquid nitrogen (LN2) temperature. In particular, by using correlated Z-contrast imaging, electron energy loss spectrum (EELS) and electron energy loss magnetic circular dichroism (EMCD), the structure, composition, bonding and magnetic behavior are characterized directly on the atomic scale.

  19. Molecular dynamics simulation of atomic-scale frictional behavior of corrugated nano-structured surfaces.

    Science.gov (United States)

    Kim, Hyun-Joon; Kim, Dae-Eun

    2012-07-01

    Surface morphology is one of the critical parameters that affect the frictional behavior of two contacting bodies in relative motion. It is important because the real contact area as well as the contact stiffness is dictated by the micro- and nano-scale geometry of the surface. In this regard, the frictional behavior may be controlled by varying the surface morphology through nano-structuring. In this study, molecular dynamics simulations were conducted to investigate the effects of contact area and structural stiffness of corrugated nano-structures on the fundamental frictional behavior at the atomic-scale. The nano-structured surface was modeled as an array of corrugated carbon atoms with a given periodicity. It was found that the friction coefficient of the nano-structured surface was lower than that of a smooth surface under specific contact conditions. The effect of applied load on the friction coefficient was dependent on the size of the corrugation. Furthermore, stiffness of the nano-structure was identified to be an important variable in dictating the frictional behavior.

  20. Atomic-scale investigations of the struct. and dynamics of complex catalytic materials

    Energy Technology Data Exchange (ETDEWEB)

    Karl Sohlberg, Drexel University

    2007-05-16

    By some accounts, catalysis impacts ≥ 30% of GDP in developed countries [Maxwell, I. E. Nature 394, 325-326 (1998)]. Catalysis is the enabling technology for petroleum production, for control of gaseous emissions from petroleum combustion, and for the production of industrial and consumer chemicals. Future applications of catalysis are potentially even more far reaching. There is an ever-growing need to move the economy from a fossil-fuel energy base to cleaner alternatives. Hydrogen-based combustion systems and fuel cells could play a dominant role, given a plentiful and inexpensive source of hydrogen. Photocatalysis is the most promising clean technology for hydrogen production, relying solely on water and sunlight, but performance enhancements in photocatalysis are needed to make this technology economically competitive. Given the enormously wide spread utilization of catalysts, even incremental performance enhancements would have far-reaching benefits for multiple end-use sectors. In the area of fuel and chemical production, such improvements would translate into vast reductions in energy consumption. At the consumption end, improvements in the catalysts involved would yield tremendous reductions in pollution. In the area of photocatalysis, such efficiency improvements could finally render hydrogen an economically viable fuel. Prerequisite to the non-empirical design and refinement of improved catalysts is the identification of the atomic-scale structure and properties of the catalytically active sites. This has become a major industrial research priority. The focus of this research program was to combine atomic-resolution Z-contrast electron microscopy with first-principles density functional theory calculations to deliver an atomic-scale description of heterogeneous catalytic systems that could form the basis for non-empirical design of improved catalysts with greater energy efficiency.

  1. Atomic scale simulations of hydrogen implantation defects in hydrogen implanted silicon - smart Cut technology

    International Nuclear Information System (INIS)

    The topic of this thesis is related to the implantation step of the SmartCutTM technology. This technology uses hydrogen in order to transfer silicon layers on insulating substrates. The transfer is performed through a fracture induced by the formation of bidimensional defects well known in literature as 'platelets'. More exactly, we have studied within this thesis work the defects appearing in the post implant state and the evolution of the implantation damage towards a state dominated by platelets. The study is organised into two parts: in the first part we present the results obtained by atomic scale simulations while in the second part we present an infrared spectroscopy study of the evolution of defects concentrations after annealing at different temperatures. The atomic scale simulations have been performed within the density functional theory and they allowed us to compute the formation energies and the migration and recombination barriers. The defects included in our study are: the atomic and diatomic interstitials, the hydrogenated vacancies and multi-vacancies and the several platelets models. The obtained energies allowed us to build a stability hierarchy for these types of defects. This scheme has been confronted with some infrared analysis on hydrogen implanted silicon samples (37 keV) in a sub-dose regime which does not allow usually the formation of platelets during the implantation step. The analysis of the infrared data allowed the detailed description of the defects concentration based on the behaviour of peaks corresponding to the respective defects during annealing. The comparison between these evolutions and the energy scheme obtained previously allowed the validation of an evolution scenario of defects towards the platelet state. (author)

  2. Comparative Criticality Analysis of Two Monte Carlo Codes on Centrifugal Atomizer: MCNPS and SCALE

    Energy Technology Data Exchange (ETDEWEB)

    Kang, H-S; Jang, M-S; Kim, S-R [NESS, Daejeon (Korea, Republic of); Park, J-M; Kim, K-N [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    There are two well-known Monte Carlo codes for criticality analysis, MCNP5 and SCALE. MCNP5 is a general-purpose Monte Carlo N-Particle code that can be used for neutron, photon, electron or coupled neutron / photon / electron transport, including the capability to calculate eigenvalues for critical system as a main analysis code. SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor physics, radiation shielding, radioactive source term characterization, and sensitivity and uncertainty analysis. SCALE was conceived and funded by US NRC to perform standardized computer analysis for licensing evaluation and is used widely in the world. We performed a validation test of MCNP5 and a comparative analysis of Monte Carlo codes, MCNP5 and SCALE, in terms of the critical analysis of centrifugal atomizer. In the criticality analysis using MCNP5 code, we obtained the statistically reliable results by using a large number of source histories per cycle and performing of uncertainty analysis.

  3. Halo phenomenon in finite many-fermion systems: Atom-positron complexes and large-scale study of atomic nuclei

    International Nuclear Information System (INIS)

    The analysis method proposed in V. Rotival and T. Duguet [Phys. Rev. C 79, 054308 (2009)] is applied to characterize halo properties in finite many-fermion systems. First, the versatility of the method is highlighted by applying it to light- and medium-mass nuclei as well as to atom-positron and ion-positronium complexes. Second, the dependence of nuclear halo properties on the characteristics of the energy-density functional used in self-consistent Hartree-Fock-Bogoliubov calculations is studied. We focus in particular on the influence of (i) the scheme used to regularize/renormalize the ultraviolet divergence of the local pairing functional, (ii) the angular-momentum cutoff in the single-particle basis, as well as (iii) the isoscalar effective mass, (iv) saturation density, and (v) tensor terms characterizing the particle-hole part of the energy functional. It is found that (a) the low-density behavior of the pairing functional and the regularization/renormalization scheme must be chosen coherently and with care to provide meaningful predictions, (b) the impact of pairing correlations on halo properties is significant and is the result of two competing effects, (c) the detailed characteristics of the pairing functional has, however, only little importance, and (d) halo properties depend significantly on any ingredient of the energy-density functional that influences the location of single-particle levels; i.e., the effective mass, the tensor terms, and the saturation density of nuclear matter. The latter dependencies give insights to how experimental data on medium-mass drip-line nuclei can be used in the distant future to constrain some characteristics of the nuclear energy-density functional. Last but not least, large-scale predictions of halos among all spherical even-even nuclei are performed using specific sets of particle-hole and particle-particle energy functionals. It is shown that halos in the ground state of medium-mass nuclei will be found only at the

  4. Interior Characterization of Europa using Magnetometry (ICEMAG): Probing the Europan Ocean and Exosphere

    Science.gov (United States)

    Raymond, C. A.; Jia, X.; Joy, S. P.; Khurana, K. K.; Murphy, N.; Russell, C. T.; Strangeway, R. J.; Weiss, B. P.

    2015-12-01

    Magnetic induction is a powerful tool for probing the subsurface. The magnetometer on the Galileo mission to Jupiter found compelling evidence for subsurface oceans on Europa, Ganymede and Callisto; however, the single induction frequency measured did not allow characteristics of the ocean to be discerned. The Interior Characterization of Europa using MAGnetometry (ICEMAG) instrument, selected for NASA's Europa mission payload in May 2015, is designed to measure Europa's induction response at multiple frequencies with high accuracy. ICEMAG definitively assesses the ice shell thickness, and the conductivity and thickness of the subsurface ocean. This knowledge informs models of Europa's thermal evolution and allows evaluation of processes that have cycled material between the depths and the surface. Magnetic field measurements also determine the electrical currents associated with coupling of plumes to the corotating magnetospheric plasma and coupling of Europa to the Jovian ionosphere. ICEMAG utilizes UCLA fluxgate magnetic field sensors as well as JPL helium sensors in an integrated magnetic measurement system. The advent of laser-pumped helium sensors and advances in digital signal sampling enables an innovative multi-sensor magnetometer to be flown that is able to monitor spacecraft fields and maintain absolute accuracy of the measurement at a level of ~1 nT over time scales of years, without special maneuvers such as spacecraft rolls.

  5. Stray-field-induced Faraday contributions in wide-field Kerr microscopy and -magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Markó, D.; Soldatov, I. [Leibniz Institute for Solid State and Materials Research (IFW) Dresden, Institute for Metallic Materials, PO 270116, D-01171 Dresden (Germany); Dresden University of Technology, Institute for Materials Science, D-01062 Dresden (Germany); Tekielak, M. [Institute of Experimental Physics, University of Bialystok, Lipowa 41, Bialystok 15-424 Poland (Poland); Schäfer, R., E-mail: r.schaefer@ifw-dresden.de [Leibniz Institute for Solid State and Materials Research (IFW) Dresden, Institute for Metallic Materials, PO 270116, D-01171 Dresden (Germany); Dresden University of Technology, Institute for Materials Science, D-01062 Dresden (Germany)

    2015-12-15

    The magnetic domain contrast in wide-field Kerr microscopy on bulk specimens can be substantially distorted by non-linear, field-dependent Faraday rotations in the objective lens that are caused by stray-field components emerging from the specimen. These Faraday contributions, which were detected by Kerr-magnetometry on grain-oriented iron–silicon steel samples, are thoroughly elaborated and characterized. They express themselves as a field-dependent gray-scale offset to the domain contrast and in highly distorted surface magnetization curves if optically measured in a wide field Kerr microscope. An experimental method to avoid such distortions is suggested. In the course of these studies, a low-permeability part in the surface magnetization loop of slightly misoriented (110)-surfaces in iron–silicon sheets was discovered that is attributed to demagnetization effects in direction perpendicular to the sheet surface. - Highlights: • Magnetizing a finite sample in a Kerr microscope leads to sample-generated stray-fields. • They cause non-linear, field- and position-dependent Faraday rotations in the objective. • This leads to a modulation of the Kerr contrast and to distorted MOKE loops. • A method to compensate these Faraday rotations is presented.

  6. Atom-scale compositional distribution in InAlAsSb-based triple junction solar cells by atom probe tomography.

    Science.gov (United States)

    Hernández-Saz, J; Herrera, M; Delgado, F J; Duguay, S; Philippe, T; Gonzalez, M; Abell, J; Walters, R J; Molina, S I

    2016-07-29

    The analysis by atom probe tomography (APT) of InAlAsSb layers with applications in triple junction solar cells (TJSCs) has shown the existence of In- and Sb-rich regions in the material. The composition variation found is not evident from the direct observation of the 3D atomic distribution and because of this a statistical analysis has been required. From previous analysis of these samples, it is shown that the small compositional fluctuations determined have a strong effect on the optical properties of the material and ultimately on the performance of TJSCs. PMID:27306098

  7. Atom-scale compositional distribution in InAlAsSb-based triple junction solar cells by atom probe tomography

    Science.gov (United States)

    Hernández-Saz, J.; Herrera, M.; Delgado, F. J.; Duguay, S.; Philippe, T.; Gonzalez, M.; Abell, J.; Walters, R. J.; Molina, S. I.

    2016-07-01

    The analysis by atom probe tomography (APT) of InAlAsSb layers with applications in triple junction solar cells (TJSCs) has shown the existence of In- and Sb-rich regions in the material. The composition variation found is not evident from the direct observation of the 3D atomic distribution and because of this a statistical analysis has been required. From previous analysis of these samples, it is shown that the small compositional fluctuations determined have a strong effect on the optical properties of the material and ultimately on the performance of TJSCs.

  8. Mass scaling and non-adiabatic effects in photoassociation spectroscopy of ultracold strontium atoms

    CERN Document Server

    Borkowski, Mateusz; Ciuryło, Roman; Julienne, Paul S; Yan, Mi; DeSalvo, Brian J; Killian, T C

    2014-01-01

    We report photoassociation spectroscopy of ultracold $^{86}$Sr atoms near the intercombination line and provide theoretical models to describe the obtained bound state energies. We show that using only the molecular states correlating with the $^1S_0$$+$$^3P_1$ asymptote is insufficient to provide a mass scaled theoretical model that would reproduce the bound state energies for all isotopes investigated to date: $^{84}$Sr, $^{86}$Sr and $^{88}$Sr. We attribute that to the recently discovered avoided crossing between the $^1S_0$$+$$^3P_1$ $0_u$ ($^3\\Pi^+_u$) and $^1S_0$$+$$^1D_2$ $0_u$ ($^1\\Sigma^+_u$) potential curves at short range and we build a mass scaled interaction model that quantitatively reproduces the available $0_u$ bound state energies for the three stable bosonic isotopes. We also provide a two-channel model that incorporates the rotational (Coriolis) mixing between the $0_u$ and $1_u$ curves which, while not mass scaled, is capable of quantitatively describing the vibrational splittings observed...

  9. Propagation of Structural Disorder in Epitaxially Connected Quantum Dot Solids from Atomic to Micron Scale.

    Science.gov (United States)

    Savitzky, Benjamin H; Hovden, Robert; Whitham, Kevin; Yang, Jun; Wise, Frank; Hanrath, Tobias; Kourkoutis, Lena F

    2016-09-14

    Epitaxially connected superlattices of self-assembled colloidal quantum dots present a promising route toward exquisite control of electronic structure through precise hierarchical structuring across multiple length scales. Here, we uncover propagation of disorder as an essential feature in these systems, which intimately connects order at the atomic, superlattice, and grain scales. Accessing theoretically predicted exotic electronic states and highly tunable minibands will therefore require detailed understanding of the subtle interplay between local and long-range structure. To that end, we developed analytical methods to quantitatively characterize the propagating disorder in terms of a real paracrystal model and directly observe the dramatic impact of angstrom scale translational disorder on structural correlations at hundreds of nanometers. Using this framework, we discover improved order accompanies increasing sample thickness and identify the substantial effect of small fractions of missing epitaxial bonds on statistical disorder. These results have significant experimental and theoretical implications for the elusive goals of long-range carrier delocalization and true miniband formation. PMID:27540863

  10. Atomic Scale Nanochemistry in Silicon Carbide Oxidation and H-induced Surface Metallization

    International Nuclear Information System (INIS)

    Full text: Silicon carbide (SiC) is a wide band gap IV-IV compound semiconductor having strong interest in advanced device/sensor applications, and in nanotechnology. Cubic/hexagonal SiC surfaces and interfaces are investigated by i) core level/valence band photoemission (XPS/UPS) spectroscopies and grazing incidence x-ray diffraction using 3rd generation synchrotron radiation sources, ii) atom-resolved scanning tunneling microscopy (STM) and spectroscopy (STS) and iii) multiple-reflection infrared absorption spectroscopy (MR-IRAS). Such important issues as atomic scale surface oxidation, subsequent abrupt SiO2/SiC interface formation and H-induced surface metallization will be presented and discussed. In particular, the first observation of a semiconductor surface metallization induced by atomic hydrogen will be presented. This surprising result is evidenced through band gap closing in STS, electronic states built-up at Fermi level, and Ef pinning at the conduction band minimum, reactive component at Si 2p core level and specific spectral features in MR-IRAS. In addition, SR-based CL-XPS gives fine details about interatomic charge transfers within the surface and sub-surface regions with a strong reactive component at the Si 2p core level. The metallization process results from competition between H-termination of surface dangling bonds and H-generated steric hindrance below the surface. Understanding the ingredient for H-stabilized metallization directly impacts the ability to eliminate electronic defects at semiconductor interfaces critical for microelectronics, provides means to develop electrical contacts on high band-gap chemically passive materials, particularly exciting for interfacing with biological systems, and gives control of surfaces for lubrication, e.g. for nanomechanical devices

  11. Bridged single-walled carbon nanotube-based atomic-scale mass sensors

    Science.gov (United States)

    Ali-Akbari, H. R.; Shaat, M.; Abdelkefi, A.

    2016-08-01

    The potentials of carbon nanotubes (CNTs) as mechanical resonators for atomic-scale mass sensing are presented. To this aim, a nonlocal continuum-based model is proposed to study the dynamic behavior of bridged single-walled carbon nanotube-based mass nanosensors. The carbon nanotube (CNT) is considered as an elastic Euler-Bernoulli beam with von Kármán type geometric nonlinearity. Eringen's nonlocal elastic field theory is utilized to model the interatomic long-range interactions within the structure of the CNT. This developed model accounts for the arbitrary position of the deposited atomic-mass. The natural frequencies and associated mode shapes are determined based on an eigenvalue problem analysis. An atom of xenon (Xe) is first considered as a specific case where the results show that the natural frequencies and mode shapes of the CNT are strongly dependent on the location of the deposited Xe and the nonlocal parameter of the CNT. It is also indicated that the first vibrational mode is the most sensitive when the mass is deposited at the middle of a single-walled carbon nanotube. However, when deposited in other locations, it is demonstrated that the second or third vibrational modes may be more sensitive. To investigate the sensitivity of bridged single-walled CNTs as mass sensors, different noble gases are considered, namely Xe, argon (Ar), and helium (He). It is shown that the sensitivity of the single-walled CNT to the Ar and He gases is much lower than the Xe gas due to the significant decrease in their masses. The derived model and performed analysis are so needed for mass sensing applications and particularly when the detected mass is randomly deposited.

  12. Atomic solid state energy scale: Universality and periodic trends in oxidation state

    Science.gov (United States)

    Pelatt, Brian D.; Kokenyesi, Robert S.; Ravichandran, Ram; Pereira, Clifford B.; Wager, John F.; Keszler, Douglas A.

    2015-11-01

    The atomic solid state energy (SSE) scale originates from a plot of the electron affinity (EA) and ionization potential (IP) versus band gap (EG). SSE is estimated for a given atom by assessing an average EA (for a cation) or an average IP (for an anion) for binary inorganic compounds having that specific atom as a constituent. Physically, SSE is an experimentally-derived average frontier orbital energy referenced to the vacuum level. In its original formulation, 69 binary closed-shell inorganic semiconductors and insulators were employed as a database, providing SSE estimates for 40 elements. In this contribution, EA and IP versus EG are plotted for an additional 92 compounds, thus yielding SSE estimates for a total of 64 elements from the s-, p-, d-, and f-blocks of the periodic table. Additionally, SSE is refined to account for its dependence on oxidation state. Although most cations within the SSE database are found to occur in a single oxidation state, data are available for nine d-block transition metals and one p-block main group metal in more than one oxidation state. SSE is deeper in energy for a higher cation oxidation state. Two p-block main group non-metals within the SSE database are found to exist in both positive and negative oxidation states so that they can function as a cation or anion. SSEs for most cations are positioned above -4.5 eV with respect to the vacuum level, and SSEs for all anions are positioned below. Hence, the energy -4.5 eV, equal to the hydrogen donor/acceptor ionization energy ε(+/-) or equivalently the standard hydrogen electrode energy, is considered to be an absolute energy reference for chemical bonding in the solid state.

  13. Atomic-scale compositional mapping reveals Mg-rich amorphous calcium phosphate in human dental enamel.

    Science.gov (United States)

    La Fontaine, Alexandre; Zavgorodniy, Alexander; Liu, Howgwei; Zheng, Rongkun; Swain, Michael; Cairney, Julie

    2016-09-01

    Human dental enamel, the hardest tissue in the body, plays a vital role in protecting teeth from wear as a result of daily grinding and chewing as well as from chemical attack. It is well established that the mechanical strength and fatigue resistance of dental enamel are derived from its hierarchical structure, which consists of periodically arranged bundles of hydroxyapatite (HAP) nanowires. However, we do not yet have a full understanding of the in vivo HAP crystallization process that leads to this structure. Mg(2+) ions, which are present in many biological systems, regulate HAP crystallization by stabilizing its precursor, amorphous calcium phosphate (ACP), but their atomic-scale distribution within HAP is unknown. We use atom probe tomography to provide the first direct observations of an intergranular Mg-rich ACP phase between the HAP nanowires in mature human dental enamel. We also observe Mg-rich elongated precipitates and pockets of organic material among the HAP nanowires. These observations support the postclassical theory of amelogenesis (that is, enamel formation) and suggest that decay occurs via dissolution of the intergranular phase. This information is also useful for the development of more accurate models to describe the mechanical behavior of teeth. PMID:27617291

  14. Point defects and irradiation in oxides: simulations at the atomic scale

    International Nuclear Information System (INIS)

    The studies done by Jean-Paul Crocombette between 1996 and 2005 in the Service de Recherches de Metallurgie Physique of the Direction de l'Energie Nucleaire in Saclay are presented in this Habilitation thesis. These works were part of the material science researches on the ageing, especially under irradiation, of oxides of interest for the nuclear industry. In this context simulation studies at the atomic scale were performed on two elementary components of ageing under irradiation : point defects and displacement cascades ; using two complementary simulation techniques : ab initio electronic structure calculations and empirical potential molecular dynamics. The first part deals with point defects : self defects (vacancies or interstitials) or hetero-atomic dopants. One first recalls the energetics of such defects in oxides, the specific features of defects calculations and the expected accuracy of these calculations. Then one presents the results obtained on uranium dioxide, oxygen in silver and amorphous silica. The second part tackles the modelling of disintegration recoil nuclei in various?displacement cascades created by crystalline matrices for actinide waste disposal. Cascade calculations give access to the amorphization mechanisms under irradiation of these materials. One thus predicts that the amorphization in zircon takes place directly in the tracks whereas in lanthanum zirconate, the amorphization proceeds through the accumulation of point defects. Finally the prospects of these studies are discussed. (author)

  15. Atomic-scale compositional mapping reveals Mg-rich amorphous calcium phosphate in human dental enamel.

    Science.gov (United States)

    La Fontaine, Alexandre; Zavgorodniy, Alexander; Liu, Howgwei; Zheng, Rongkun; Swain, Michael; Cairney, Julie

    2016-09-01

    Human dental enamel, the hardest tissue in the body, plays a vital role in protecting teeth from wear as a result of daily grinding and chewing as well as from chemical attack. It is well established that the mechanical strength and fatigue resistance of dental enamel are derived from its hierarchical structure, which consists of periodically arranged bundles of hydroxyapatite (HAP) nanowires. However, we do not yet have a full understanding of the in vivo HAP crystallization process that leads to this structure. Mg(2+) ions, which are present in many biological systems, regulate HAP crystallization by stabilizing its precursor, amorphous calcium phosphate (ACP), but their atomic-scale distribution within HAP is unknown. We use atom probe tomography to provide the first direct observations of an intergranular Mg-rich ACP phase between the HAP nanowires in mature human dental enamel. We also observe Mg-rich elongated precipitates and pockets of organic material among the HAP nanowires. These observations support the postclassical theory of amelogenesis (that is, enamel formation) and suggest that decay occurs via dissolution of the intergranular phase. This information is also useful for the development of more accurate models to describe the mechanical behavior of teeth.

  16. Atomic-Scale Observations of Catalyst Structures under Reaction Conditions and during Catalysis.

    Science.gov (United States)

    Tao, Franklin Feng; Crozier, Peter A

    2016-03-23

    Heterogeneous catalysis is a chemical process performed at a solid-gas or solid-liquid interface. Direct participation of catalyst atoms in this chemical process determines the significance of the surface structure of a catalyst in a fundamental understanding of such a chemical process at a molecular level. High-pressure scanning tunneling microscopy (HP-STM) and environmental transmission electron microscopy (ETEM) have been used to observe catalyst structure in the last few decades. In this review, instrumentation for the two in situ/operando techniques and scientific findings on catalyst structures under reaction conditions and during catalysis are discussed with the following objectives: (1) to present the fundamental aspects of in situ/operando studies of catalysts; (2) to interpret the observed restructurings of catalyst and evolution of catalyst structures; (3) to explore how HP-STM and ETEM can be synergistically used to reveal structural details under reaction conditions and during catalysis; and (4) to discuss the future challenges and prospects of atomic-scale observation of catalysts in understanding of heterogeneous catalysis. This Review focuses on the development of HP-STM and ETEM, the in situ/operando characterizations of catalyst structures with them, and the integration of the two structural analytical techniques for fundamentally understanding catalysis.

  17. Atomic scale imaging of competing polar states in a Ruddlesden-Popper layered oxide

    Science.gov (United States)

    Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J.; Schlom, Darrell G.; Alem, Nasim; Gopalan, Venkatraman

    2016-08-01

    Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden-Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure.

  18. Atomic scale imaging of competing polar states in a Ruddlesden–Popper layered oxide

    Science.gov (United States)

    Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J.; Schlom, Darrell G.; Alem, Nasim; Gopalan, Venkatraman

    2016-01-01

    Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden–Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure. PMID:27578622

  19. Atomic scale imaging of competing polar states in a Ruddlesden-Popper layered oxide.

    Science.gov (United States)

    Stone, Greg; Ophus, Colin; Birol, Turan; Ciston, Jim; Lee, Che-Hui; Wang, Ke; Fennie, Craig J; Schlom, Darrell G; Alem, Nasim; Gopalan, Venkatraman

    2016-01-01

    Layered complex oxides offer an unusually rich materials platform for emergent phenomena through many built-in design knobs such as varied topologies, chemical ordering schemes and geometric tuning of the structure. A multitude of polar phases are predicted to compete in Ruddlesden-Popper (RP), An+1BnO3n+1, thin films by tuning layer dimension (n) and strain; however, direct atomic-scale evidence for such competing states is currently absent. Using aberration-corrected scanning transmission electron microscopy with sub-Ångstrom resolution in Srn+1TinO3n+1 thin films, we demonstrate the coexistence of antiferroelectric, ferroelectric and new ordered and low-symmetry phases. We also directly image the atomic rumpling of the rock salt layer, a critical feature in RP structures that is responsible for the competing phases; exceptional quantitative agreement between electron microscopy and density functional theory is demonstrated. The study shows that layered topologies can enable multifunctionality through highly competitive phases exhibiting diverse phenomena in a single structure. PMID:27578622

  20. Atomic scale studies of the chemistry of the Cu/MgO {111} heterophase interface

    International Nuclear Information System (INIS)

    The Cu/MgO [111] heterophase interface is studied using a combination of transmission electron microscopy, high resolution electron microscopy and atom-probe field-ion microscopy techniques. Wire and foil specimens of a Cu-2.8 at.% Mg alloy were internally oxidized to produce MgO precipitates at a number density of 5·1015Cm-3 with a mean diameter of ∼200 Angstrom. The MgO precipitates have a semicoherent interface with the Cu matrix and they exhibit a cube-on-cube orientation relationship. The octahedral-shaped MgO precipitates were analyzed using APFIM by dissecting along a direction on an atomic scale. In this manner an MgO precipitate, with a [111] plane perpendicular to the axis of the APFIM, is uncovered after the Cu matrix has been mass analyzed. It was found that the terminating [222] plane of an MgO precipitate is pure oxygen, and the second [222] plane is pure Mg

  1. Dissecting the Mechanism of Martensitic Transformation via Atomic-Scale Observations

    Science.gov (United States)

    Yang, Xu-Sheng; Sun, Sheng; Wu, Xiao-Lei; Ma, Evan; Zhang, Tong-Yi

    2014-08-01

    Martensitic transformation plays a pivotal role in the microstructural evolution and plasticity of many engineering materials. However, so far the underlying atomic processes that accomplish the displacive transformation have been obscured by the difficulty in directly observing key microstructural signatures on atomic scale. To resolve this long-standing problem, here we examine an AISI 304 austenitic stainless steel that has a strain/microstructure-gradient induced by surface mechanical attrition, which allowed us to capture in one sample all the key interphase regions generated during the γ(fcc) --> ɛ(hcp) --> α'(bcc) transition, a prototypical case of deformation induced martensitic transformation (DIMT). High-resolution transmission electron microscopy (HRTEM) observations confirm the crucial role of partial dislocations, and reveal tell-tale features including the lattice rotation of the α' martensite inclusion, the transition lattices at the ɛ/α' interfaces that cater the shears, and the excess reverse shear-shuffling induced γ necks in the ɛ martensite plates. These direct observations verify for the first time the 50-year-old Bogers-Burgers-Olson-Cohen (BBOC) model, and enrich our understanding of DIMT mechanisms. Our findings have implications for improved microstructural control in metals and alloys.

  2. Dissecting the mechanism of martensitic transformation via atomic-scale observations.

    Science.gov (United States)

    Yang, Xu-Sheng; Sun, Sheng; Wu, Xiao-Lei; Ma, Evan; Zhang, Tong-Yi

    2014-08-21

    Martensitic transformation plays a pivotal role in the microstructural evolution and plasticity of many engineering materials. However, so far the underlying atomic processes that accomplish the displacive transformation have been obscured by the difficulty in directly observing key microstructural signatures on atomic scale. To resolve this long-standing problem, here we examine an AISI 304 austenitic stainless steel that has a strain/microstructure-gradient induced by surface mechanical attrition, which allowed us to capture in one sample all the key interphase regions generated during the γ(fcc) → ε(hcp) → α'(bcc) transition, a prototypical case of deformation induced martensitic transformation (DIMT). High-resolution transmission electron microscopy (HRTEM) observations confirm the crucial role of partial dislocations, and reveal tell-tale features including the lattice rotation of the α' martensite inclusion, the transition lattices at the ε/α' interfaces that cater the shears, and the excess reverse shear-shuffling induced γ necks in the ε martensite plates. These direct observations verify for the first time the 50-year-old Bogers-Burgers-Olson-Cohen (BBOC) model, and enrich our understanding of DIMT mechanisms. Our findings have implications for improved microstructural control in metals and alloys.

  3. Electronics and atomic scale properties of defects and dopants in 2H-MoTe2

    Science.gov (United States)

    Longobardi, Maria; Ubaldini, Alberto; Giannini, Enrico; Bowler, David R.; Renner, Christoph

    2015-03-01

    We present a detailed STM/STS investigation and corresponding DFT modeling of native dopants and atomic scale defects and their influence on the local electron density of states of 2H-MoTe2. Semiconducting transition metal dichalcogenides (TMDs) are attracting increasing interest in the field of electronics and optoelectronics owing to their layered structure and the indirect-to-direct band gap transition when approaching the single-layer limit. 2H-MoTe2 is a semiconducting TMD with a bulk band gap of around 1.0 eV. This compound shows very high mobility at room temperature and strong absorption throughout the solar spectrum. Previous studies demonstrated the possibility to achieve gate-induced ambipolar transport at the surface. 2H-MoTe2 is thus an attractive candidate for novel optoelectronic devices such as light-emitting diodes, photo detectors and solar cell technology. Controlling the atomic nature and density of defects and dopants is crucial for the development of the aforementioned applications and devices.

  4. Atomic scale properties of magnetic Mn-based alloys probed by emission Mössbauer spectroscopy

    CERN Multimedia

    Mn-based alloys are characterized by a wealth of properties, which are of interest both from fundamental physics point of view and particularly attractive for different applications in modern technology: from magnetic storage to sensing and spin-based electronics. The possibility to tune their magnetic properties through post-growth thermal processes and/or stoichiometry engineering is highly important in order to target different applications (i.e. Mn$_{x}$Ga) or to increase their Curie temperature above room temperature (i.e. off-stoichiometric MnSi). In this project, the Mössbauer effect will be applied at $^{57}$Fe sites following implantation of radioactive $^{57}$Mn, to probe the micro-structure and magnetism of Mn-based alloys on the atomic-scale. The proposed experimental plan is devoted to establish a direct correlation between the local structure and bulk magnetism (and other physical properties) of Mn-based alloys.

  5. Direct atomic-scale observation of layer-by-layer oxide growth during magnesium oxidation

    International Nuclear Information System (INIS)

    The atomic-scale oxide growth dynamics are directly revealed by in situ high resolution transmission electron microscopy during the oxidation of Mg surface. The oxidation process is characterized by the layer-by-layer growth of magnesium oxide (MgO) nanocrystal via the adatom process. Consistently, the nucleated MgO crystals exhibit faceted surface morphology as enclosed by (200) lattice planes. It is believed that the relatively lower surface energies of (200) lattice planes should play important roles, governing the growth mechanism. These results facilitate the understanding of the nanoscale oxide growth mechanism that will have an important impact on the development of magnesium or magnesium alloys with improved resistance to oxidation

  6. Direct atomic-scale observation of layer-by-layer oxide growth during magnesium oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, He; Wu, Shujing; Sheng, Huaping; Liu, Chun; Liu, Yu; Cao, Fan; Zhou, Zhichao; Zhao, Dongshan, E-mail: wang@whu.edu.cn, E-mail: dszhao@whu.edu.cn; Wang, Jianbo, E-mail: wang@whu.edu.cn, E-mail: dszhao@whu.edu.cn [School of Physics and Technology, Center for Electron Microscopy and MOE Key Laboratory of Artificial Micro- and Nano-structures, Wuhan University, Wuhan 430072 (China); Zhao, Xingzhong [School of Physics and Technology, Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education, Wuhan University, Wuhan 430072 (China)

    2014-04-07

    The atomic-scale oxide growth dynamics are directly revealed by in situ high resolution transmission electron microscopy during the oxidation of Mg surface. The oxidation process is characterized by the layer-by-layer growth of magnesium oxide (MgO) nanocrystal via the adatom process. Consistently, the nucleated MgO crystals exhibit faceted surface morphology as enclosed by (200) lattice planes. It is believed that the relatively lower surface energies of (200) lattice planes should play important roles, governing the growth mechanism. These results facilitate the understanding of the nanoscale oxide growth mechanism that will have an important impact on the development of magnesium or magnesium alloys with improved resistance to oxidation.

  7. Sacrificial Microchannel Sealing by Glass-Frit Reflow for Chip Scale Atomic Magnetometer

    Science.gov (United States)

    Tsujimoto, Kazuya; Hirai, Yoshikazu; Sugano, Koji; Tsuchiya, Toshiyuki; Tabata, Osamu

    A novel sealing technique using sacrificial microchannels was proposed for atmosphere control in a micromachined alkali gas-filled cell for a chip scale atomic magnetometer. The microchannels act as feedthrough connecting the cell to outside atmosphere during evacuation and gas-filling steps, and eventually they are sealed by glass-frit reflow. Si microchannel dedicated as a sacrificial microchannel was proposed and its feasibility was successfully demonstrated by experiments. The simulation results clarified the glass-frit reflow characteristics and its dependence on cross-sectional shape of the microchannel. Hermeticity of the proposed sealing technique of less than 10-12Pa·m3/s leak rate was verified by a high resolution helium leak test.

  8. Homotopy-Theoretic Study &Atomic-Scale Observation of Vortex Domains in Hexagonal Manganites.

    Science.gov (United States)

    Li, Jun; Chiang, Fu-Kuo; Chen, Zhen; Ma, Chao; Chu, Ming-Wen; Chen, Cheng-Hsuan; Tian, Huanfang; Yang, Huaixin; Li, Jianqi

    2016-01-01

    Essential structural properties of the non-trivial "string-wall-bounded" topological defects in hexagonal manganites are studied through homotopy group theory and spherical aberration-corrected scanning transmission electron microscopy. The appearance of a "string-wall-bounded" configuration in RMnO3 is shown to be strongly linked with the transformation of the degeneracy space. The defect core regions (~50 Å) mainly adopt the continuous U(1) symmetry of the high-temperature phase, which is essential for the formation and proliferation of vortices. Direct visualization of vortex strings at atomic scale provides insight into the mechanisms and macro-behavior of topological defects in crystalline materials. PMID:27324701

  9. Atomic-Scale Visualization of Quantum Interference on a Weyl Semimetal Surface by Scanning Tunneling Microscopy.

    Science.gov (United States)

    Zheng, Hao; Xu, Su-Yang; Bian, Guang; Guo, Cheng; Chang, Guoqing; Sanchez, Daniel S; Belopolski, Ilya; Lee, Chi-Cheng; Huang, Shin-Ming; Zhang, Xiao; Sankar, Raman; Alidoust, Nasser; Chang, Tay-Rong; Wu, Fan; Neupert, Titus; Chou, Fangcheng; Jeng, Horng-Tay; Yao, Nan; Bansil, Arun; Jia, Shuang; Lin, Hsin; Hasan, M Zahid

    2016-01-26

    Weyl semimetals may open a new era in condensed matter physics, materials science, and nanotechnology after graphene and topological insulators. We report the first atomic scale view of the surface states of a Weyl semimetal (NbP) using scanning tunneling microscopy/spectroscopy. We observe coherent quantum interference patterns that arise from the scattering of quasiparticles near point defects on the surface. The measurements reveal the surface electronic structure both below and above the chemical potential in both real and reciprocal spaces. Moreover, the interference maps uncover the scattering processes of NbP's exotic surface states. Through comparison between experimental data and theoretical calculations, we further discover that the orbital and/or spin texture of the surface bands may suppress certain scattering channels on NbP. These results provide a comprehensive understanding of electronic properties on Weyl semimetal surfaces. PMID:26743693

  10. Effects of Stone-Wales and vacancy defects in atomic-scale friction on defective graphite

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xiao-Yu [Department of Engineering Mechanics, School of Civil Engineering, Wuhan University, Wuhan 430072 (China); Key Laboratory of Hubei Province for Water Jet Theory and New Technology, Wuhan University, Wuhan 430072 (China); Wu, RunNi; Xia, Re [Key Laboratory of Hubei Province for Water Jet Theory and New Technology, Wuhan University, Wuhan 430072 (China); Chu, Xi-Hua; Xu, Yuan-Jie, E-mail: yj-xu@whu.edu.cn [Department of Engineering Mechanics, School of Civil Engineering, Wuhan University, Wuhan 430072 (China)

    2014-05-05

    Graphite is an excellent solid lubricant for surface coating, but its performance is significantly weakened by the vacancy or Stone-Wales (SW) defect. This study uses molecular dynamics simulations to explore the frictional behavior of a diamond tip sliding over a graphite which contains a single defect or stacked defects. Our results suggest that the friction on defective graphite shows a strong dependence on defect location and type. The 5-7-7-5 structure of SW defect results in an effectively negative slope of friction. For defective graphite containing a defect in the surface, adding a single vacancy in the interior layer will decrease the friction coefficients, while setting a SW defect in the interior layer may increase the friction coefficients. Our obtained results may provide useful information for understanding the atomic-scale friction properties of defective graphite.

  11. Nanometer-scale lithography of ultrathin films with atomic force microscope

    CERN Document Server

    Kim, J C; Shin, Y W; Park, S W

    1998-01-01

    Ultrathin resist films have been prepared by both Langmuir-Blodgett (LB) and self-assembly (SA) techniques. Nanometer-scale patterning of these thin films has been performed by using the atomic force microscope (AFM) as the exposing tool. The poly (methylphenylmethacrylate) (PMPMA) LB films were prepared and fabricated by AFM lithography. When the exposure was carried out at the bias voltage of -25V, the protruding lines appeared in the exposed regions. The preoptimized LB films at various conditions exhibited 120 nm line resolution. An organosilane monolayer composed of octadecyldimethylsilyl groups was prepared on a Si substrate. It was then patterned through the localized degradation of the monolayer due to anodic reaction induced by an AFM tip. When the bias voltage was -30 V, the protruding lines appeared in the exposed regions.

  12. Atomic Scale Structure-Chemistry Relationships at Oxide Catalyst Surfaces and Interfaces

    Science.gov (United States)

    McBriarty, Martin E.

    Oxide catalysts are integral to chemical production, fuel refining, and the removal of environmental pollutants. However, the atomic-scale phenomena which lead to the useful reactive properties of catalyst materials are not sufficiently understood. In this work, the tools of surface and interface science and electronic structure theory are applied to investigate the structure and chemical properties of catalytically active particles and ultrathin films supported on oxide single crystals. These studies focus on structure-property relationships in vanadium oxide, tungsten oxide, and mixed V-W oxides on the surfaces of alpha-Al2O3 and alpha-Fe2O 3 (0001)-oriented single crystal substrates, two materials with nearly identical crystal structures but drastically different chemical properties. In situ synchrotron X-ray standing wave (XSW) measurements are sensitive to changes in the atomic-scale geometry of single crystal model catalyst surfaces through chemical reaction cycles, while X-ray photoelectron spectroscopy (XPS) reveals corresponding chemical changes. Experimental results agree with theoretical calculations of surface structures, allowing for detailed electronic structure investigations and predictions of surface chemical phenomena. The surface configurations and oxidation states of V and W are found to depend on the coverage of each, and reversible structural shifts accompany chemical state changes through reduction-oxidation cycles. Substrate-dependent effects suggest how the choice of oxide support material may affect catalytic behavior. Additionally, the structure and chemistry of W deposited on alpha-Fe 2O3 nanopowders is studied using X-ray absorption fine structure (XAFS) measurements in an attempt to bridge single crystal surface studies with real catalysts. These investigations of catalytically active material surfaces can inform the rational design of new catalysts for more efficient and sustainable chemistry.

  13. Atomic-scale investigations of grain boundary segregation in astrology with a three dimensional atom-probe

    Energy Technology Data Exchange (ETDEWEB)

    Blavette, D. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique]|[Institut Universitaire de France (France); Letellier, L. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique; Duval, P. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique; Guttmann, M. [Rouen Univ., 76 - Mont-Saint-Aignan (France). Lab. de Microscopie Electronique]|[Institut de Recherches de la Siderurgie Francaise (IRSID), 57 - Maizieres-les-Metz (France)

    1996-08-01

    Both conventional and 3D atom-probes were applied to the investigation of grain-boundary (GB) segregation phenomena in two-phase nickel base superalloys Astroloy. 3D images as provided by the tomographic atom-probe reveal the presence of a strong segregation of both boron and molybdenum at grain-boundaries. Slight carbon enrichment is also detected. Considerable chromium segregation is exhibited at {gamma}`-{gamma}` grain-boundaries. All these segregants are distributed in a continuous manner along the boundary over a width close to 0.5 nm. Experiments show that segregation occurs during cooling and more probably between 1000 C and 800 C. Boron and molybdenum GB enrichments are interpreted as due to an equilibrium type-segregation while chromium segregation is thought to be induced by {gamma}` precipitation at GB`s and stabilised by the presence of boron. No segregation of zirconium is detected. (orig.)

  14. Clustering Effects Under Irradiation in Fe-0.1%Cu Alloy : An Atomic Scale Investigation with the Tomographic Atom Probe

    OpenAIRE

    Pareige, P.; Welzel, S; Auger, P.

    1996-01-01

    In order to understand the effect of displacement cascades on the evolution of the microstructure of ferritic low copper supersaturated materials, analyses by 3D atomic tomography of neutron, electron and self ion irradiated Fe-0.1%Cu, were performed. This alloy was chosen because of its low copper concentration, close to that of french pressure vessel steels. The comparison of the microstructure evolutions in these irradiated specimens reveals the appearance of tiny copper "clusters" or "agg...

  15. Epitaxial B-Graphene: Large-Scale Growth and Atomic Structure.

    Science.gov (United States)

    Usachov, Dmitry Yu; Fedorov, Alexander V; Petukhov, Anatoly E; Vilkov, Oleg Yu; Rybkin, Artem G; Otrokov, Mikhail M; Arnau, Andrés; Chulkov, Evgueni V; Yashina, Lada V; Farjam, Mani; Adamchuk, Vera K; Senkovskiy, Boris V; Laubschat, Clemens; Vyalikh, Denis V

    2015-07-28

    Embedding foreign atoms or molecules in graphene has become the key approach in its functionalization and is intensively used for tuning its structural and electronic properties. Here, we present an efficient method based on chemical vapor deposition for large scale growth of boron-doped graphene (B-graphene) on Ni(111) and Co(0001) substrates using carborane molecules as the precursor. It is shown that up to 19 at. % of boron can be embedded in the graphene matrix and that a planar C-B sp(2) network is formed. It is resistant to air exposure and widely retains the electronic structure of graphene on metals. The large-scale and local structure of this material has been explored depending on boron content and substrate. By resolving individual impurities with scanning tunneling microscopy we have demonstrated the possibility for preferential substitution of carbon with boron in one of the graphene sublattices (unbalanced sublattice doping) at low doping level on the Ni(111) substrate. At high boron content the honeycomb lattice of B-graphene is strongly distorted, and therefore, it demonstrates no unballanced sublattice doping. PMID:26121999

  16. Applications of finite-size scaling for atomic and non-equilibrium systems

    Science.gov (United States)

    Antillon, Edwin A.

    We apply the theory of Finite-size scaling (FSS) to an atomic and a non-equilibrium system in order to extract critical parameters. In atomic systems, we look at the energy dependence on the binding charge near threshold between bound and free states, where we seek the critical nuclear charge for stability. We use different ab initio methods, such as Hartree-Fock, Density Functional Theory, and exact formulations implemented numerically with the finite-element method (FEM). Using Finite-size scaling formalism, where in this case the size of the system is related to the number of elements used in the basis expansion of the wavefunction, we predict critical parameters in the large basis limit. Results prove to be in good agreement with previous Slater-basis set calculations and demonstrate that this combined approach provides a promising first-principles approach to describe quantum phase transitions for materials and extended systems. In the second part we look at non-equilibrium one-dimensional model known as the raise and peel model describing a growing surface which grows locally and has non-local desorption. For a specific values of adsorption ( ua) and desorption (ud) the model shows interesting features. At ua = ud, the model is described by a conformal field theory (with conformal charge c = 0) and its stationary probability can be mapped to the ground state of a quantum chain and can also be related a two dimensional statistical model. For ua ≥ ud, the model shows a scale invariant phase in the avalanche distribution. In this work we study the surface dynamics by looking at avalanche distributions using FSS formalism and explore the effect of changing the boundary conditions of the model. The model shows the same universality for the cases with and with our the wall for an odd number of tiles removed, but we find a new exponent in the presence of a wall for an even number of avalanches released. We provide new conjecture for the probability distribution of

  17. Soil hydrophobicity - relating effects at atomic, molecular, core and national scales

    Science.gov (United States)

    Matthews, Peter; Doerr, Stefan; Van Keulen, Geertje; Dudley, Ed; Francis, Lewis; Whalley, Richard; Gazze, Andrea; Hallin, Ingrid; Quinn, Gerry; Sinclair, Kat; Ashton, Rhys

    2016-04-01

    The detrimental impacts of soil hydrophobicity include increased runoff, erosion and flooding, reduced biomass production, inefficient use of irrigation water and preferential leaching of pollutants. Its impacts may exacerbate flood risk associated with more extreme drought and precipitation events predicted with UK climate change scenarios. The UK's Natural Environment Research Council (NERC) has therefore funded a major research programme to investigate soil hydrophobicity over length scales ranging from atomic through molecular, core and landscape scale. This presentation gives an overview of the findings to date. The programme is predicated on the hypothesis that changes in soil protein abundance and localization, induced by variations in soil moisture and temperature, are crucial driving forces for transitions between hydrophobic and hydrophilic conditions at soil particle surfaces. Three soils were chosen based on the severity of hydrophobicity that can be achieved in the field: severe to extreme (Cefn Bryn, Gower, Wales), intermediate to severe (National Botanical Garden, Wales), and subcritical (Park Grass, Rothamsted Research near London). The latter is already highly characterised so was also used as a control. Hydrophobic/ hydrophilic transitions were measured from water droplet penetration times. Scientific advances in the following five areas will be described: (i) the identification of these soil proteins by proteomic methods, using a novel separation method which reduces interference by humic acids, and allows identification by ESI and MALDI TOF mass spectrometry and database searches, (ii) the examination of such proteins, which form ordered hydrophobic ridges, and measurement of their elasticity, stickiness and hydrophobicity at nano- to microscale using atomic force microscopy adapted for the rough surfaces of soil particles, (iii) the novel use of a picoliter goniometer to show hydrophobic effects at a 1 micron diameter droplet level, which

  18. Previsions of the microstructural evolution of ferritic alloys under irradiation by numerical atomic scale simulations

    International Nuclear Information System (INIS)

    In this work, we have improved a diffusion model for point defects (vacancies and self-interstitials) by introducing hetero-interstitials. The model has been used to simulate by Kinetic Monte Carlo (KMC) the formation of solute rich clusters that are observed experimentally in irradiated ferritic model alloys of type Fe - CuMnNiSiP - C.Electronic structure calculations have been used to characterize the interactions between self-interstitials and all solute atoms, and also carbon. P interacts with vacancies and strongly with self-interstitials. Mn also interacts with self-interstitials to form mixed dumbbells. C, with occupies octahedral sites, interacts strongly with vacancies and less with self-interstitials. Binding and migration energies, as well as others atomic scale properties, obtained by ab initio calculations, have been used as parameters for the KMC code. Firstly, these parameters have been optimized over isochronal annealing experiments, in the literature, of binary alloys that have been electron-irradiated. Isochronal annealing simulations, by reproducing experimental results, have allowed us to link each mechanism to a single evolution of the resistivity during annealing. Moreover, solubility limits of all the elements have been determined by Metropolis Monte Carlo. Secondly, we have simulated the evolution at 300 C of the microstructure under irradiation of different alloys of increasing complexity: pure Fe, binary alloys, ternaries, quaternaries, and finally complex alloys which compositions are close to those of pressure vessel steels. The results show that the model globally reproduces all the experimental tendencies, what has led us to propose mechanisms to explain the behaviours observed. (author)

  19. Probing Local Ionic Dynamics in Functional Oxides: From Nanometer to Atomic Scale

    Science.gov (United States)

    Kalinin, Sergei

    2014-03-01

    Vacancy-mediated electrochemical reactions in oxides underpin multiple applications ranging from electroresistive memories, to chemical sensors to energy conversion systems such as fuel cells. Understanding the functionality in these systems requires probing reversible (oxygen reduction/evolution reaction) and irreversible (cathode degradation and activation, formation of conductive filaments) electrochemical processes. In this talk, I summarize recent advances in probing and controlling these transformations locally on nanometer level using scanning probe microscopy. The localized tip concentrates the electric field in the nanometer scale volume of material, inducing local transition. Measured simultaneously electromechanical response (piezoresponse) or current (conductive AFM) provides the information on the bias-induced changes in material. Here, I illustrate how these methods can be extended to study local electrochemical transformations, including vacancy dynamics in oxides such as titanates, LaxSr1-xCoO3, BiFeO3, and YxZr1-xO2. The formation of electromechanical hysteresis loops and their bias-, temperature- and environment dependences provide insight into local electrochemical mechanisms. In materials such as lanthanum-strontium cobaltite, mapping both reversible vacancy motion and vacancy ordering and static deformation is possible, and can be corroborated by post mortem STEM/EELS studies. In ceria, a broad gamut of electrochemical behaviors is observed as a function of temperature and humidity. The possible strategies for elucidation ionic motion at the electroactive interfaces in oxides using high-resolution electron microscopy and combined ex-situ and in-situ STEM-SPM studies are discussed. In the second part of the talk, probing electrochemical phenomena on in-situ grown surfaces with atomic resolution is illustrated. I present an approach based on the multivariate statistical analysis of the coordination spheres of individual atoms to reveal

  20. Nanometer-scale isotope analysis of bulk diamond by atom probe tomography

    NARCIS (Netherlands)

    Schirhagl, R.; Raatz, N.; Meijer, J.; Markham, M.; Gerstl, S. S. A.; Degen, C. L.

    2015-01-01

    Atom-probe tomography (APT) combines field emission of atoms with mass spectrometry to reconstruct three-dimensional tomograms of materials with atomic resolution and isotope specificity. Despite significant recent progress in APT technology, application to wide-bandgap materials with strong covalen

  1. Scaled-energy spectroscopy of helium vertical bar M vertical bar=1 Rydberg atoms in a static electric field

    NARCIS (Netherlands)

    Kips, A.; Vassen, W.; Hogervorst, W.; Dando, P.A.

    1998-01-01

    We present scaled-energy spectra on helium Rydberg atoms in a static electric field. /M/ = 1 states were studied in excitation from the 2 S-1(0) metastable state. Spectra were recorded for epsilon = -2.940(4), epsilon = -2.350(4), both below the saddle point, and epsilon = -1.760(4), above the saddl

  2. Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

    NARCIS (Netherlands)

    Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, Andrei V.; Grigoriev, S. V.

    2014-01-01

    The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale face-cente

  3. Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

    Science.gov (United States)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2015-01-01

    The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT

  4. An Atomic-Scale X-ray View of Functional Oxide Films

    Science.gov (United States)

    Tung, I.-Cheng

    atomically controlled synthesis of single-crystalline La3Ni2O7. By building upon this knowledge, I have completed the first to date study of in situ surface X-ray scattering during homoepitaxial MBE growth of SrTiO3, which demonstrates codeposition is consistent with a 2D island growth mode with SrTiO3 islands, but shuttered deposition proceeds by the growth of SrO islands which then restructure into atomically flat SrTiO3 layer during the deposition of the TiO2. From this point, we have conducted a detailed microscopic study of epitaxial LaNiO3 ultrathin films grown on SrTiO3 (001) by using reactive MBE with in situ surface X-ray diffraction and ex situ soft XAS to explore the influence of polar mismatch on the resulting structural and electronic properties. Overall, this thesis highlights the power of artificial confinement to harness control over competing phases in complex oxides with atomic-scale precision.

  5. Structure-Property Relationships in Atomic-Scale Junctions: Histograms and Beyond.

    Science.gov (United States)

    Hybertsen, Mark S; Venkataraman, Latha

    2016-03-15

    are pulled apart has given complementary information such as the stiffness and rupture force of the molecule-metal link bond. Overall, while the BJ technique does not produce a single molecule circuit for practical applications, it has proved remarkably versatile for fundamental studies. Measured data and analysis have been combined with atomic-scale theory and calculations, typically performed for representative junction structures, to provide fundamental physical understanding of structure-function relationships. This Account integrates across an extensive series of our specific nanoscale junction studies which were carried out with the STM- and AFM-BJ techniques and supported by theoretical analysis and density functional theory based calculations, with emphasis on the physical characteristics of the measurement process and the rich data sets that emerge. Several examples illustrate the impact of measured trends based on the most probable values for key characteristics (obtained from ensembles of order 1000-10 000 individual junctions) to build a solid picture of conductance phenomena as well as attributes of the link bond chemistry. The key forward-looking question posed here is the extent to which the full data sets represented by the individual trajectories can be analyzed to address structure-function questions at the level of individual junctions. Initial progress toward physical modeling of conductance of individual junctions indicates trends consistent with physical junction structures. Analysis of junction mechanics reveals a scaling procedure that collapses existing data onto a universal force-extension curve. This research directed to understanding the distribution of structures and physical characteristics addresses fundamental questions concerning the interplay between chemical control and stochastically driven diversity. PMID:26938931

  6. Composite organic-inorganic butterfly scales: production of photonic structures with atomic layer deposition.

    Science.gov (United States)

    Gaillot, Davy P; Deparis, Olivier; Welch, Victoria; Wagner, Brent K; Vigneron, Jean Pol; Summers, Christopher J

    2008-09-01

    Recent advances in the photonics and optics industries have produced great demand for ever more sophisticated optical devices, such as photonic crystals. However, photonic crystals are notoriously difficult to manufacture. Increasingly, therefore, researchers have turned towards naturally occurring photonic structures for inspiration and a wide variety of elaborate techniques have been attempted to copy and harness biological processes to manufacture artificial photonic structures. Here, we describe a simple, direct process for producing an artificial photonic device by using a naturally occurring structure from the wings of the butterfly Papilio blumei as a template and low-temperature atomic layer deposition of TiO2 to create a faithful cast of the structure. The optical properties of the organic-inorganic diffraction structures produced are assessed by normal-incidence specular reflectance and found to be well described by multilayer computation method using a two-dimensional photonic crystal model. Depending on the structural integrity of the initially sealed scale, it was found possible not only to replicate the outer but also the inner and more complex surfaces of the structure, each resulting in distinct multicolor optical behavior as revealed by experimental and theoretical data. In this paper, we also explore tailoring the process to design composite skeleton architectures with desired optical properties and integrated multifunctional (mechanical, thermal, optical, fluidic) properties. PMID:18851080

  7. Influence of Aromatic Residues on the Material Characteristics of Aβ Amyloid Protofibrils at the Atomic Scale.

    Science.gov (United States)

    Chang, Hyun Joon; Baek, Inchul; Lee, Myeongsang; Na, Sungsoo

    2015-08-01

    Amyloid fibrils, which cause a number of degenerative diseases, are insoluble under physiological conditions and are supported by native contacts. Recently, the effects of the aromatic residues on the Aβ amyloid protofibril were investigated in a ThT fluorescence study. However, the relationship between the material characteristics of the Aβ protofibril and its aromatic residues has not yet been investigated on the atomic scale. Here, we successfully constructed wild-type (WT) and mutated types of Aβ protofibrils by using molecular dynamics simulations. Through principle component analysis, we established the structural stability and vibrational characteristics of F20L Aβ protofibrils and compared them with WT and other mutated models such as F19L and F19LF20L. In addition, structural stability was assessed by calculating the elastic modulus, which showed that the F20L model has higher values than the other models studied. From our results, it is shown that aromatic residues influence the structural and material characteristics of Aβ protofibrils. PMID:26037071

  8. Wafer-scale growth of MoS2 thin films by atomic layer deposition

    Science.gov (United States)

    Pyeon, Jung Joon; Kim, Soo Hyun; Jeong, Doo Seok; Baek, Seung-Hyub; Kang, Chong-Yun; Kim, Jin-Sang; Kim, Seong Keun

    2016-05-01

    The wafer-scale synthesis of MoS2 layers with precise thickness controllability and excellent uniformity is essential for their application in the nanoelectronics industry. Here, we demonstrate the atomic layer deposition (ALD) of MoS2 films with Mo(CO)6 and H2S as the Mo and S precursors, respectively. A self-limiting growth behavior is observed in the narrow ALD window of 155-175 °C. Long H2S feeding times are necessary to reduce the impurity contents in the films. The as-grown MoS2 films are amorphous due to the low growth temperature. Post-annealing at high temperatures under a H2S atmosphere efficiently improves the film properties including the crystallinity and chemical composition. An extremely uniform film growth is achieved even on a 4 inch SiO2/Si wafer. These results demonstrate that the current ALD process is well suited for the synthesis of MoS2 layers for application in industry.

  9. Atomic-scale computer simulation for ternary alloy Ni-Cr-Al during early precipitation process

    Institute of Scientific and Technical Information of China (English)

    CHU Zhong; CHEN Zheng; WANG Yongxin; LU Yanli; LI Yongsheng

    2005-01-01

    The aging behaviors of Ni-Cr-Al ternary alloy are studied at temperature 873 K based on the mean-field theory, and the early precipitation process is simulated at atomic-scale with microscopic phase-field model. The precipitation mechanism of the low supersaturated alloy Ni-12.2at. % Cr-7.8at. % Al is non-classical nucleation and growth, the L12 structure (Ni3Al) and D022 structure (Ni3Cr)phases precipitate simultaneously, a part of D022 phase transmits to L12 structure phase, and other part retains its previous structure. For high supersaturated alloy, congruent ordering appears first, then followed by spinodal decomposition, the nonstoicheometric ordered phases are produced in this process, which occurs before clustering. The precipitation mechanism of Ni-8at. % Cr-18at. %Al alloy is similar to Ni-10at. % Cr-12at. %Al alloy, but the ordering process of the former is ahead of the latter.

  10. Nuclear magnetic resonance in atomic-scale superconductor/magnet multilayered systems

    CERN Document Server

    Kanegae, Y

    2003-01-01

    We investigate the nuclear spin-lattice relaxation rate (T sub 1 T) sup - sup 1 in atomic-scale superconductor/magnet multilayered systems and discuss the discrepancy between two recent (T sub 1 T) sup - sup 1 experiments on Ru in RuSr sub 2 YCu sub 2 O sub 8. When the magnetic layers is are in the antiferromagnetic state, (T sub 1 T) sup - sup 1 in the magnetic layers is shown to decrease with decreasing due to the excitation gap associated with the magnetic ordering. The proximity effect of superconductivity on (T sub 1 T) sup - sup 1 in the magnetic layer is negligibly small. Our result indicates that the temperature dependence of (T sub 1 T) sup - sup 1 on Ru in RuSr sub 2 YCu sub 2 O sub 8 likely originates from the antiferromagnetism in the RuO sub 2 layers, but not from the superconductivity in the CuO sub 2 layers. (author)

  11. Atomic-scale decoration for improving the pitting corrosion resistance of austenitic stainless steels

    Science.gov (United States)

    Zhou, Y. T.; Zhang, B.; Zheng, S. J.; Wang, J.; San, X. Y.; Ma, X. L.

    2014-01-01

    Stainless steels are susceptible to the localized pitting corrosion that leads to a huge loss to our society. Studies in the past decades confirmed that the pitting events generally originate from the local dissolution in MnS inclusions which are more or less ubiquitous in stainless steels. Although a recent study indicated that endogenous MnCr2O4 nano-octahedra within the MnS medium give rise to local nano-galvanic cells which are responsible for the preferential dissolution of MnS, effective solutions of restraining the cells from viewpoint of electrochemistry are being tantalizingly searched. Here we report such a galvanic corrosion can be greatly resisted via bathing the steels in Cu2+-containing solutions. This chemical bath generates Cu2-δS layers on the surfaces of MnS inclusions, invalidating the nano-galvanic cells. Our study provides a low-cost approach via an atomic scale decoration to improve the pitting corrosion resistance of stainless steels in a volume-treated manner.

  12. Atomic-Scale Magnetism of Cr-Doped Bi2Se3 Thin Film Topological Insulators.

    Science.gov (United States)

    Liu, Wenqing; West, Damien; He, Liang; Xu, Yongbing; Liu, Jun; Wang, Kejie; Wang, Yong; van der Laan, Gerrit; Zhang, Rong; Zhang, Shengbai; Wang, Kang L

    2015-10-27

    Magnetic doping is the most common method for breaking time-reversal-symmetry surface states of topological insulators (TIs) to realize novel physical phenomena and to create beneficial technological applications. Here we present a study of the magnetic coupling of a prototype magnetic TI, that is, Cr-doped Bi2Se3, in its ultrathin limit which is expected to give rise to quantum anomalous Hall (QAH) effect. The high quality Bi2-xCrxSe3 epitaxial thin film was prepared using molecular beam epitaxy (MBE), characterized with scanning transimission electron microscopy (STEM), electrical magnetotransport, and X-ray magnetic circularly dichroism (XMCD) techniques, and the results were simulated using density functional theory (DFT) with spin-orbit coupling (SOC). We observed a sizable spin moment mspin = (2.05 ± 0.20) μB/Cr and a small and negative orbital moment morb = (-0.05 ± 0.02) μB/Cr of the Bi1.94Cr0.06Se3 thin film at 2.5 K. A remarkable fraction of the (CrBi-CrI)(3+) antiferromagnetic dimer in the Bi2-xCrxSe3 for 0.02 < x < 0.40 was obtained using first-principles simulations, which was neglected in previous studies. The spontaneous coexistence of ferro- and antiferromagnetic Cr defects in Bi2-xCrxSe3 explains our experimental observations and those based on conventional magnetometry which universally report magnetic moments significantly lower than 3 μB/Cr predicted by Hund's rule. PMID:26348798

  13. Atomic-Scale Magnetism of Cr-Doped Bi2Se3 Thin Film Topological Insulators.

    Science.gov (United States)

    Liu, Wenqing; West, Damien; He, Liang; Xu, Yongbing; Liu, Jun; Wang, Kejie; Wang, Yong; van der Laan, Gerrit; Zhang, Rong; Zhang, Shengbai; Wang, Kang L

    2015-10-27

    Magnetic doping is the most common method for breaking time-reversal-symmetry surface states of topological insulators (TIs) to realize novel physical phenomena and to create beneficial technological applications. Here we present a study of the magnetic coupling of a prototype magnetic TI, that is, Cr-doped Bi2Se3, in its ultrathin limit which is expected to give rise to quantum anomalous Hall (QAH) effect. The high quality Bi2-xCrxSe3 epitaxial thin film was prepared using molecular beam epitaxy (MBE), characterized with scanning transimission electron microscopy (STEM), electrical magnetotransport, and X-ray magnetic circularly dichroism (XMCD) techniques, and the results were simulated using density functional theory (DFT) with spin-orbit coupling (SOC). We observed a sizable spin moment mspin = (2.05 ± 0.20) μB/Cr and a small and negative orbital moment morb = (-0.05 ± 0.02) μB/Cr of the Bi1.94Cr0.06Se3 thin film at 2.5 K. A remarkable fraction of the (CrBi-CrI)(3+) antiferromagnetic dimer in the Bi2-xCrxSe3 for 0.02 < x < 0.40 was obtained using first-principles simulations, which was neglected in previous studies. The spontaneous coexistence of ferro- and antiferromagnetic Cr defects in Bi2-xCrxSe3 explains our experimental observations and those based on conventional magnetometry which universally report magnetic moments significantly lower than 3 μB/Cr predicted by Hund's rule.

  14. Signal enhancement in cantilever magnetometry based on a co-resonantly coupled sensor.

    Science.gov (United States)

    Körner, Julia; Reiche, Christopher F; Gemming, Thomas; Büchner, Bernd; Gerlach, Gerald; Mühl, Thomas

    2016-01-01

    Cantilever magnetometry is a measurement technique used to study magnetic nanoparticles. With decreasing sample size, the signal strength is significantly reduced, requiring advances of the technique. Ultrathin and slender cantilevers can address this challenge but lead to increased complexity of detection. We present an approach based on the co-resonant coupling of a micro- and a nanometer-sized cantilever. Via matching of the resonance frequencies of the two subsystems we induce a strong interplay between the oscillations of the two cantilevers, allowing for a detection of interactions between the sensitive nanocantilever and external influences in the amplitude response curve of the microcantilever. In our magnetometry experiment we used an iron-filled carbon nanotube acting simultaneously as nanocantilever and magnetic sample. Measurements revealed an enhancement of the commonly used frequency shift signal by five orders of magnitude compared to conventional cantilever magnetometry experiments with similar nanomagnets. With this experiment we do not only demonstrate the functionality of our sensor design but also its potential for very sensitive magnetometry measurements while maintaining a facile oscillation detection with a conventional microcantilever setup. PMID:27547621

  15. Theoretical model for torque differential magnetometry of single-domain magnets

    NARCIS (Netherlands)

    Kamra, A.; Schreier, M.; Huebl, H.; Goennenwein, T.B.

    2014-01-01

    We present a generic theoretical model for torque differential magnetometry (TDM)—an experimental method for determining the magnetic properties of a magnetic specimen by recording the resonance frequency of a mechanical oscillator, on which the magnetic specimen has been mounted, as a function of t

  16. Signal enhancement in cantilever magnetometry based on a co-resonantly coupled sensor

    Science.gov (United States)

    Körner, Julia; Reiche, Christopher F; Gemming, Thomas; Büchner, Bernd; Gerlach, Gerald

    2016-01-01

    Summary Cantilever magnetometry is a measurement technique used to study magnetic nanoparticles. With decreasing sample size, the signal strength is significantly reduced, requiring advances of the technique. Ultrathin and slender cantilevers can address this challenge but lead to increased complexity of detection. We present an approach based on the co-resonant coupling of a micro- and a nanometer-sized cantilever. Via matching of the resonance frequencies of the two subsystems we induce a strong interplay between the oscillations of the two cantilevers, allowing for a detection of interactions between the sensitive nanocantilever and external influences in the amplitude response curve of the microcantilever. In our magnetometry experiment we used an iron-filled carbon nanotube acting simultaneously as nanocantilever and magnetic sample. Measurements revealed an enhancement of the commonly used frequency shift signal by five orders of magnitude compared to conventional cantilever magnetometry experiments with similar nanomagnets. With this experiment we do not only demonstrate the functionality of our sensor design but also its potential for very sensitive magnetometry measurements while maintaining a facile oscillation detection with a conventional microcantilever setup. PMID:27547621

  17. Atom Chips

    CERN Document Server

    Folman, R; Cassettari, D; Hessmo, B; Maier, T; Schmiedmayer, J; Folman, Ron; Krüger, Peter; Cassettari, Donatella; Hessmo, Björn; Maier, Thomas

    1999-01-01

    Atoms can be trapped and guided using nano-fabricated wires on surfaces, achieving the scales required by quantum information proposals. These Atom Chips form the basis for robust and widespread applications of cold atoms ranging from atom optics to fundamental questions in mesoscopic physics, and possibly quantum information systems.

  18. Atomic-scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-ray Spectroscopy

    Science.gov (United States)

    Lu, Ping; Zhou, Lin; Kramer, M. J.; Smith, David J.

    2014-01-01

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L21 phase with Ni0.48Co0.52 at A-sites, Al at BΙ-sites and Fe0.20Ti0.80 at BΙΙ-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems. PMID:24492747

  19. Atomic-Scale Chemical Imaging and Quantification of Metallic Alloy Structures by Energy-Dispersive X-Ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Ping [Sandia National Laboratories; Zhou, Lin [Ames Laboratory; Kramer, Matthew J. [Ames Laboratory; Smith, David J. [Arizona State University

    2014-02-04

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L21 phase with Ni0.48Co0.52 at A-sites, Al at BΙ-sites and Fe0.20Ti0.80 at BΙΙ-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems.

  20. Atomic-scale chemical imaging and quantification of metallic alloy structures by energy-dispersive X-ray spectroscopy.

    Science.gov (United States)

    Lu, Ping; Zhou, Lin; Kramer, M J; Smith, David J

    2014-01-01

    Determination of atomic-scale crystal structure for nanostructured intermetallic alloys, such as magnetic alloys containing Al, Ni, Co (alnico) and Fe, is crucial for understanding physical properties such as magnetism, but technically challenging due to the small interatomic distances and the similar atomic numbers. By applying energy-dispersive X-ray spectroscopy (EDS) mapping to the study of two intermetallic phases of an alnico alloy resulting from spinodal decomposition, we have determined atomic-scale chemical composition at individual lattice sites for the two phases: one is the B2 phase with Fe0.76Co0.24 -Fe0.40Co0.60 ordering and the other is the L2(1) phase with Ni0.48Co0.52 at A-sites, Al at B(Ι)-sites and Fe0.20Ti0.80 at B(ΙΙ)-sites, respectively. The technique developed through this study represents a powerful real-space approach to investigate structure chemically at the atomic scale for a wide range of materials systems. PMID:24492747

  1. Unveiling atomic-scale features of inherent heterogeneity in metallic glass by molecular dynamics simulations

    Science.gov (United States)

    Hu, Y. C.; Guan, P. F.; Li, M. Z.; Liu, C. T.; Yang, Y.; Bai, H. Y.; Wang, W. H.

    2016-06-01

    Heterogeneity is commonly believed to be intrinsic to metallic glasses (MGs). Nevertheless, how to distinguish and characterize the heterogeneity at the atomic level is still debated. Based on the extensive molecular dynamics simulations that combine isoconfigurational ensemble and atomic pinning methods, we directly reveal that MG contains flow units and the elastic matrix which can be well distinguished by their distinctive atomic-level responsiveness and mechanical performance. The microscopic features of the flow units, such as the shape, spatial distribution dimensionality, and correlation length, are characterized from atomic position analyses. Furthermore, the correlation between the flow units and the landscape of energy state, free volume, atomic-level stress, and especially the local bond orientational order parameter is discussed.

  2. Fabrication of all diamond scanning probes for nanoscale magnetometry

    Science.gov (United States)

    Appel, Patrick; Neu, Elke; Ganzhorn, Marc; Barfuss, Arne; Batzer, Marietta; Gratz, Micha; Tschöpe, Andreas; Maletinsky, Patrick

    2016-06-01

    The electronic spin of the nitrogen vacancy (NV) center in diamond forms an atomically sized, highly sensitive sensor for magnetic fields. To harness the full potential of individual NV centers for sensing with high sensitivity and nanoscale spatial resolution, NV centers have to be incorporated into scanning probe structures enabling controlled scanning in close proximity to the sample surface. Here, we present an optimized procedure to fabricate single-crystal, all-diamond scanning probes starting from commercially available diamond and show a highly efficient and robust approach for integrating these devices in a generic atomic force microscope. Our scanning probes consisting of a scanning nanopillar (200 nm diameter, 1-2 μm length) on a thin (50 ± 20 nT / √{ Hz } ). As a first application of our scanning probes, we image the magnetic stray field of a single Ni nanorod. We show that this stray field can be approximated by a single dipole and estimate the NV-to-sample distance to a few tens of nanometer, which sets the achievable resolution of our scanning probes.

  3. Fabrication of all diamond scanning probes for nanoscale magnetometry.

    Science.gov (United States)

    Appel, Patrick; Neu, Elke; Ganzhorn, Marc; Barfuss, Arne; Batzer, Marietta; Gratz, Micha; Tschöpe, Andreas; Maletinsky, Patrick

    2016-06-01

    The electronic spin of the nitrogen vacancy (NV) center in diamond forms an atomically sized, highly sensitive sensor for magnetic fields. To harness the full potential of individual NV centers for sensing with high sensitivity and nanoscale spatial resolution, NV centers have to be incorporated into scanning probe structures enabling controlled scanning in close proximity to the sample surface. Here, we present an optimized procedure to fabricate single-crystal, all-diamond scanning probes starting from commercially available diamond and show a highly efficient and robust approach for integrating these devices in a generic atomic force microscope. Our scanning probes consisting of a scanning nanopillar (200 nm diameter, 1-2 μm length) on a thin (magnetic field sensitivity (ηAC≈50±20nT/Hz). As a first application of our scanning probes, we image the magnetic stray field of a single Ni nanorod. We show that this stray field can be approximated by a single dipole and estimate the NV-to-sample distance to a few tens of nanometer, which sets the achievable resolution of our scanning probes. PMID:27370455

  4. Atomic scale study of grain boundary segregation before carbide nucleation in Ni–Cr–Fe Alloys

    International Nuclear Information System (INIS)

    Highlights: • Impurities segregated at grain boundaries were observed by atom probe tomography. • The comparison of segregation features in two Ni–Cr–Fe alloys was studied by APT. • C and Cr atoms co-segregated at grain boundaries before carbide precipitation. -- Abstract: Three dimensional chemical information concerning grain boundary segregation before carbide nucleation was characterized by atom probe tomography in two Ni–Cr–Fe alloys which were aged at 500 °C for 0.5 h after homogenizing treatment. B, C and Si atoms segregation at grain boundary in Alloy 690 was observed. B, C, N and P atoms segregation at grain boundary in 304 austenitic stainless steel was observed. C atoms co-segregation with Cr atoms at the grain boundaries both in Alloy 690 and 304 austenitic stainless steel was found, and its effect on the carbide nucleation was discussed. The amount of each segregated element at grain boundaries in the two Ni–Cr–Fe alloys were analyzed quantitatively. Comparison of the grain boundary segregation features of the two Ni–Cr–Fe alloys were carried out based on the experimental results

  5. Quantitative Z-Contrast Imaging of Supported Metal Complexes and Clusters - A Gateway to Understanding Catalysis on the Atomic Scale

    Energy Technology Data Exchange (ETDEWEB)

    Browning, Nigel D.; Aydin, C.; Lu, Jing; Kulkarni, Apoorva; Okamoto, Norihiko L.; Ortalan, V.; Reed, Bryan W.; Uzun, Alper; Gates, Bruce C.

    2013-09-01

    Z-contrast imaging in an aberration-corrected scanning transmission electron microscope can be used to observe and quantify the sizes, shapes, and compositions of the metal frames in supported mono-, bi-, and multimetallic metal clusters and can even detect the metal atoms in single-metal-atom complexes, as well as providing direct structural information characterizing the metal-support interface. Herein, we assess the major experimental challenges associated with obtaining atomic resolution Z-contrast images of the materials that are highly beam-sensitive, that is, the clusters readily migrate and sinter on support surfaces, and the support itself can drastically change in structure if the experiment is not properly controlled. Calibrated and quantified Z-contrast images are used in conjunction with exsitu analytical measurements and larger-scale characterization methods such as extended X-ray absorption fine structure spectroscopy to generate an atomic-scale understanding of supported catalysts and their function. Examples of the application of these methods include the characterization of a wide range of sizes and compositions of supported clusters, primarily those incorporating Ir, Os, and Au, on highly crystalline supports (zeolites and MgO).

  6. Determining the quantum-coherent to semiclassical transition in atomic-scale quasi-one-dimensional metals

    Science.gov (United States)

    Weber, Bent; Simmons, Michelle Y.

    2016-08-01

    Atomic-scale silicon wires, patterned by scanning tunneling microscopy (STM) and degenerately doped with phosphorus (P), have attracted significant interest owing to their exceptionally low resistivity and semiclassical Ohmic conduction at temperatures as low as T =4.2 K . Here, we investigate the transition from semiclassical diffusive to quantum-coherent conduction in a 4.6 nm wide wire as we decrease the measurement temperature. By analyzing the temperature dependence of universal conductance fluctuations (UCFs) and one-dimensional (1D) weak localization (WL)—fundamental manifestations of quantum-coherent transport in quasi-1D metals—we show that transport evolves from quantum coherent to semiclassical at T ˜4 K . Remarkably, our study confirms that universal concepts of mesoscopic physics such as UCF and 1D WL retain their validity in quasi-1D metallic conductors down to the atomic scale.

  7. First-Principles Molecular Dynamics Investigation of the Atomic-Scale Energy Transport: From Heat Conduction to Thermal Radiation

    CERN Document Server

    Ji, Pengfei

    2016-01-01

    First-principles molecular dynamics simulation based on a plane wave/pseudopotential implementation of density functional theory is adopted to investigate atomic scale energy transport for semiconductors (silicon and germanium). By imposing thermostats to keep constant temperatures of the nanoscale thin layers, initial thermal non-equilibrium between the neighboring layers is established under the vacuum condition. Models with variable gap distances with an interval of lattice constant increment of the simulated materials are set up and statistical comparisons of temperature evolution curves are made. Moreover, the equilibration time from non-equilibrium state to thermal equilibrium state of different silicon or/and germanium layers combinations are calculated. The results show significant distinctions of heat transfer under different materials and temperatures combinations. Further discussions on the equilibrium time are made to explain the simulation results. As the first work of the atomic scale energy tra...

  8. New theoretical approaches to atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

    Energy Technology Data Exchange (ETDEWEB)

    Pabst, Stefan Ulf

    2013-04-15

    The concept of atoms as the building blocks of matter has existed for over 3000 years. A revolution in the understanding and the description of atoms and molecules has occurred in the last century with the birth of quantum mechanics. After the electronic structure was understood, interest in studying the dynamics of electrons, atoms, and molecules increased. However, time-resolved investigations of these ultrafast processes were not possible until recently. The typical time scale of atomic and molecular processes is in the picosecond to attosecond realm. Tremendous technological progress in recent years makes it possible to generate light pulses on these time scales. With such ultrashort pulses, atomic and molecular dynamics can be triggered, watched, and controlled. Simultaneously, the need rises for theoretical models describing the underlying mechanisms. This doctoral thesis focuses on the development of theoretical models which can be used to study the dynamical behavior of electrons, atoms, and molecules in the presence of ultrashort light pulses. Several examples are discussed illustrating how light pulses can trigger and control electronic, atomic, and molecular motions. In the first part of this work, I focus on the rotational motion of asymmetric molecules, which happens on picosecond and femtosecond time scales. Here, the aim is to align all three axes of the molecule as well as possible. To investigate theoretically alignment dynamics, I developed a program that can describe alignment motion ranging from the impulsive to the adiabatic regime. The asymmetric molecule SO{sub 2} is taken as an example to discuss strategies of optimizing 3D alignment without the presence of an external field (i.e., field-free alignment). Field-free alignment is particularly advantageous because subsequent experiments on the aligned molecule are not perturbed by the aligning light pulse. Wellaligned molecules in the gas phase are suitable for diffraction experiments. From the

  9. New theoretical approaches to atomic and molecular dynamics triggered by ultrashort light pulses on the atto- to picosecond time scale

    International Nuclear Information System (INIS)

    The concept of atoms as the building blocks of matter has existed for over 3000 years. A revolution in the understanding and the description of atoms and molecules has occurred in the last century with the birth of quantum mechanics. After the electronic structure was understood, interest in studying the dynamics of electrons, atoms, and molecules increased. However, time-resolved investigations of these ultrafast processes were not possible until recently. The typical time scale of atomic and molecular processes is in the picosecond to attosecond realm. Tremendous technological progress in recent years makes it possible to generate light pulses on these time scales. With such ultrashort pulses, atomic and molecular dynamics can be triggered, watched, and controlled. Simultaneously, the need rises for theoretical models describing the underlying mechanisms. This doctoral thesis focuses on the development of theoretical models which can be used to study the dynamical behavior of electrons, atoms, and molecules in the presence of ultrashort light pulses. Several examples are discussed illustrating how light pulses can trigger and control electronic, atomic, and molecular motions. In the first part of this work, I focus on the rotational motion of asymmetric molecules, which happens on picosecond and femtosecond time scales. Here, the aim is to align all three axes of the molecule as well as possible. To investigate theoretically alignment dynamics, I developed a program that can describe alignment motion ranging from the impulsive to the adiabatic regime. The asymmetric molecule SO2 is taken as an example to discuss strategies of optimizing 3D alignment without the presence of an external field (i.e., field-free alignment). Field-free alignment is particularly advantageous because subsequent experiments on the aligned molecule are not perturbed by the aligning light pulse. Wellaligned molecules in the gas phase are suitable for diffraction experiments. From the

  10. Atomic-scale observation of parallel development of super elasticity and reversible plasticity in GaAs nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Bao, Peite; Du, Sichao; Zheng, Rongkun, E-mail: rongkun.zheng@sydney.edu.au [School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia); Wang, Yanbo; Liao, Xiaozhou, E-mail: xiaozhou.liao@sydney.edu.au [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, NSW 2006 (Australia); Cui, Xiangyuan; Yen, Hung-Wei; Kong Yeoh, Wai; Ringer, Simon P. [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, NSW 2006 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006 (Australia); Gao, Qiang; Hoe Tan, H.; Jagadish, Chennupati [Department of Electronic Materials Engineering, Research School of Physics and Engineering, The Australian National University, Canberra, ACT 0200 (Australia); Liu, Hongwei [Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, NSW 2006 (Australia); Zou, Jin [Materials Engineering and Centre for Microscopy and Microanalysis, The University of Queensland, Brisbane, QLD 4072 (Australia)

    2014-01-13

    We report the atomic-scale observation of parallel development of super elasticity and reversible dislocation-based plasticity from an early stage of bending deformation until fracture in GaAs nanowires. While this phenomenon is in sharp contrast to the textbook knowledge, it is expected to occur widely in nanostructures. This work indicates that the super recoverable deformation in nanomaterials is not simple elastic or reversible plastic deformation in nature, but the coupling of both.

  11. Probing electronic and structural properties of single molecules on the atomic scale

    OpenAIRE

    Mohn, Fabian

    2012-01-01

    In this thesis work, a combination of low-temperature scanning tunneling microscopy (STM) and atomic force microscopy (AFM) was used to study single atoms and molecules on thin insulating films. We show that noncontact-AFM can yield important additional information for these systems, which had previously been studied only with STM. In particular, we demonstrate that the charge states of single gold adatoms can be detected with Kelvin probe force microscopy (KPFM). Furthermore, it is descr...

  12. Evidence of local and global scaling regimes in thin films deposited by sputtering: An atomic force microscopy and electrochemical study

    International Nuclear Information System (INIS)

    The surface morphology of NiOx thin films deposited by rf sputtering was studied by atomic force microscopy and by cyclic voltammetry. Linear relationships were observed in log-log plots of the interface width versus window length and in log-log plots of the peak current versus scan rate. Two different slopes were observed, by both techniques, indicating that distinct growth dynamics present in the system can be measured in different ways. Moreover, the calculated fractal dimensions are in excellent agreement: the local scaling regime corresponds to high scan rates and the global scaling regime corresponds to low scan rates, in accordance with the expected behavior for diffusion fronts

  13. Atomic-scale control of TiO6 octahedra through solution chemistry towards giant dielectric response

    Science.gov (United States)

    Hu, Wanbiao; Li, Liping; Li, Guangshe; Liu, Yun; Withers, Ray L.

    2014-10-01

    The structures of many important functional oxides contain networks of metal-oxygen polyhedral units i.e. MOn. The correlation between the configurations and connectivities of these MOn to properties is essentially important to be well established to conduct the design, synthesis and application of new MOn-based functional materials. In this paper, we report on an atomic-scale solution-chemistry approach that for the first time enables TiO6 octahedral network control starting from metastable brookite TiO2 through simultaneously tuning pH values and interfering ions (Fe3+, Sc3+, and Sm3+). The relationship between solution chemistry and the resultant configuration/connectivity of TiO6 octahedra in TiO2 and lepidocrocite titanate is mapped out. Apart from differing crystalline phases and morphologies, atomic-scale TiO6 octahedral control also endows numerous defect dipoles for giant dielectric responses. The structural and property evolutions are well interpreted by the associated H+/OH- species in solution and/or defect states associated with Fe3+ occupation within TiO6 octahedra. This work therefore provides fundamental new insights into controlling TiO6 octahedral arrangement essential for atomic-scale structure-property design.

  14. Current Density Imaging through Acoustically Encoded Magnetometry: A Theoretical Exploration

    CERN Document Server

    Sheltraw, Daniel J

    2014-01-01

    The problem of determining a current density confined to a volume from measurements of the magnetic field it produces exterior to that volume is known to have non-unique solutions. To uniquely determine the current density, or the non-silent components of it, additional spatial encoding of the electric current is needed. In biological systems such as the brain and heart, which generate electric current associated with normal function, a reliable means of generating such additional encoding, on a spatial and temporal scale meaningful to the study of such systems, would be a boon for research. This paper explores a speculative method by which the required additional encoding might be accomplished, on the time scale associated with the propagation of sound across the volume of interest, by means of the application of a radially encoding pulsed acoustic spherical wave.

  15. Vector Magnetometry Using Silicon Vacancies in 4 H -SiC Under Ambient Conditions

    Science.gov (United States)

    Niethammer, Matthias; Widmann, Matthias; Lee, Sang-Yun; Stenberg, Pontus; Kordina, Olof; Ohshima, Takeshi; Son, Nguyen Tien; Janzén, Erik; Wrachtrup, Jörg

    2016-09-01

    Point defects in solids promise precise measurements of various quantities. Especially magnetic field sensing using the spin of point defects has been of great interest recently. When optical readout of spin states is used, point defects achieve optical magnetic imaging with high spatial resolution at ambient conditions. Here, we demonstrate that genuine optical vector magnetometry can be realized using the silicon vacancy in SiC, which has an uncommon S =3 /2 spin. To this end, we develop and experimentally test sensing protocols based on a reference field approach combined with multifrequency spin excitation. Our work suggests that the silicon vacancy in an industry-friendly platform, SiC, has the potential for various magnetometry applications under ambient conditions.

  16. Composite-pulse magnetometry with a solid-state quantum sensor

    CERN Document Server

    Aiello, Clarice D; Cappellaro, Paola

    2012-01-01

    The sensitivity of quantum magnetometers is challenged by control errors and, especially in the solid-state, by their short coherence times. Refocusing techniques can overcome these limitations and improve the sensitivity to periodic fields, but they come at the cost of reduced bandwidth and cannot be applied to sense static (DC) or aperiodic fields. Here we experimentally demonstrate that continuous driving of the sensor spin by a composite pulse known as rotary-echo (RE) yields a flexible magnetometry scheme, mitigating both driving power imperfections and decoherence. A suitable choice of RE parameters compensates for different scenarios of noise strength and origin. The method can be applied to nanoscale sensing in variable environments or to realize noise spectroscopy. In a room-temperature implementation based on a single electronic spin in diamond, composite-pulse magnetometry provides a tunable trade-off between sensitivities in the microT/sqrt(Hz) range, comparable to those obtained with Ramsey spect...

  17. Magnetization dynamics of a CrO$_2$ grain studied by micro-Hall magnetometry

    OpenAIRE

    Das, Pintu; Porrati, Fabrizio; Wirth, Steffen; Bajpai, Ashna; Huth, Michael; Ohno, Yuzo; Ohno, Hideo; Jens MÜLLER

    2010-01-01

    Micro-Hall magnetometry is employed to study the magnetization dynamics of a single, micron-size CrO$_2$ grain. With this technique we track the motion of a single domain wall, which allows us to probe the distribution of imperfections throughout the material. An external magnetic field along the grain's easy magnetization direction induces magnetization reversal, giving rise to a series of sharp jumps in magnetization. Supported by micromagnetic simulations, we identify the transition to a s...

  18. The effect of atomic-scale defects and dopants on phosphorene electronic structure and quantum transport properties.

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Bezanilla, Alejandro

    2016-01-20

    By means of a multi-scale first-principles approach, a description of the local electronic structure of 2D and narrow phosphorene sheets with various types of modifications is presented. Firtly, a rational argument based on the geometry of the pristine and modified P network, and supported by the Wannier functions formalism is introduced to describe a hybridization model of the P atomic orbitals. Ab initio calculations show that non-isoelectronic foreign atoms form quasi-bound states at varying energy levels and create different polarization states depending on the number of valence electrons between P and the doping atom. The quantum transport properties of modified phosphorene ribbons are further described with great accuracy. The distortions on the electronic bands induced by the external species lead to strong backscattering effects on the propagating charge carriers. Depending on the energy of the charge carrier and the type of doping, the conduction may range from the diffusive to the localized regime. Interstitial defects at vacant sites lead to homogeneous transport fingerprints across different types of doping atoms. We suggest that the relatively low values of charge mobility reported in experimental measurements may have its origin in the presence of defects.

  19. Crystallization, phase evolution and corrosion of Fe-based metallic glasses: An atomic-scale structural and chemical characterization study

    International Nuclear Information System (INIS)

    Understanding phase changes, including their formation and evolution, is critical for the performance of functional as well as structural materials. We analyze in detail microstructural and chemical transformations of the amorphous steel Fe50Cr15Mo14C15B6 during isothermal treatments at temperatures ranging from 550 to 800 °C. By combining high-resolution transmission electron microscopy and Rietveld analyses of X-ray diffraction patterns together with the local chemical data obtained by atom probe tomography, this research provides relevant information at the atomic scale about the mechanisms of crystallization and the subsequent phases evolution. During the initial stages of crystallization a stable (Fe,Cr)23(C,B)6 precipitates as well as two metastable intermediates of M3(C,B) and the intermetallic χ-phase. When full crystallization is reached, only a percolated nano-scale Cr-rich (Fe,Cr)23(C,B)6 and Mo-rich η-Fe3Mo3C structure is detected, with no evidence to suggest that other phases appear at any subsequent time. Finally, the corrosion behavior of the developed phases is discussed from considerations of the obtained atomic information

  20. Experimental atomic scale investigation of irradiation effects in CW 316SS and UFG-CW 316SS

    Science.gov (United States)

    Pareige, P.; Etienne, A.; Radiguet, B.

    2009-06-01

    Materials of the core internals of pressurized water reactor (austenitic stainless steels) are subject to neutron irradiation. To understand the ageing mechanisms associated with irradiation and propose life predictions of components or develop new materials, irradiation damage needs to be experimentally investigated. Atomic scale investigation of a neutron-irradiated CW316 SS with the laser pulsed atom probe gives a detailed description of the solute segregation in the austenitic grains. In order to understand the mechanism of solute segregation detected in the neutron-irradiated materials, ion irradiations were performed. These latest irradiations were realized on a CW 316SS as well as on a nanostructured CW 316SS. The study of irradiation effects in a nanograin material allows first, to easily analyse grain boundary segregation and second, to test the behaviour under irradiation of a new nanostructured material. The three aspects of this atomic scale investigation (neutron irradiation effect, model ion irradiation, new nanostructured CW 316 SS) are tackled in this paper.

  1. Dynamical Gauge Effects and Holographic Scaling of Non-Equilibrium Motion in a Disordered and Dissipative Atomic Gas

    CERN Document Server

    Zhao, Jianshi; Liu, Qi; Jacome, Louis; Gemelke, Nathan

    2016-01-01

    We present a table-top realization of a non-equilibrium quantum system described by a dynamical gauge field propagating on an effectively curved space and time manifold. The system is formed by neutral atoms interacting with both a conservative disordered optical field and a dissipative pumping field. In the presence of a sufficiently dark state, we demonstrate non-equilibrium behavior reminiscent of the information paradox in black hole physics. At a well-defined transition point, the analog of gauge-boson mass is seen to vanish, inducing scale-invariant behavior as a Higgs-like mechanism is removed. The subsequent scaling behavior can be understood using the holographic principle with a tunable analog of the Planck length derived from the scaling of disorder. These effects suggest a range of new phenomena in weakly dissipative quantum systems, including the presence of analog forms of emergent gravitation.

  2. Electrohydrodynamic Atomization in the Simple-Jet Mode: Out-scaling and Application

    NARCIS (Netherlands)

    Agostinho, L.L.F.

    2013-01-01

    Electrohydrodynamic Atomization, often called electrospraying, is a way to disintegrate a liquid into droplets by exposing it to a strong electric field. Although William Gilbert has reported about the deformation of a liquid meniscus under the influence of an electric field already more than four c

  3. True atomic-scale imaging of a spinel Li{sub 4}Ti{sub 5}O{sub 12}(111) surface in aqueous solution by frequency-modulation atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kitta, Mitsunori, E-mail: m-kitta@aist.go.jp; Kohyama, Masanori [Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology, 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Onishi, Hiroshi [Department of Chemistry, Graduate School of Science, Kobe University 1-1 Rokkodai, Nada, Kobe 657-8501 (Japan)

    2014-09-15

    Spinel-type lithium titanium oxide (LTO; Li{sub 4}Ti{sub 5}O{sub 12}) is a negative electrode material for lithium-ion batteries. Revealing the atomic-scale surface structure of LTO in liquid is highly necessary to investigate its surface properties in practical environments. Here, we reveal an atomic-scale image of the LTO(111) surface in LiCl aqueous solution using frequency-modulation atomic force microscopy. Atomically flat terraces and single steps having heights of multiples of 0.5 nm were observed in the aqueous solution. Hexagonal bright spots separated by 0.6 nm were also observed on the flat terrace part, corresponding to the atomistic contrast observed in the ultrahigh vacuum condition, which suggests that the basic atomic structure of the LTO(111) surface is retained without dramatic reconstruction even in the aqueous solution.

  4. Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal

    Science.gov (United States)

    Zhou, Y. T.; Xue, Y. B.; Chen, D.; Wang, Y. J.; Zhang, B.; Ma, X. L.

    2014-01-01

    Deformation twinning was thought as impossible in ionic compounds with rock-salt structure due to the charge effect on {111} planes. Here we report the presence and formation mechanism of deformation {111} twins in the rock-salt manganese sulphide (MnS) inclusions embedded in a hot-rolled stainless steel. Based on the atomic-scale mapping under aberration-corrected scanning transmission electron microscopy, a dislocation-based mechanism involved two synchronized shear on adjacent atomic layers is proposed to describe the dislocation glide and consequently twinning formation. First-principles calculations of the energy barriers for twinning formation in MnS and comparing with that of PbS and MgO indicate the distinct dislocation glide scheme and deformation behaviors for the rock-salt compounds with different ionicities. This study may improve our understanding of the deformation mechanisms of rock-salt crystals and other ionic compounds. PMID:24874022

  5. Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and Its Precursors on Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, George W [Columbia University

    2015-02-16

    Executive Summary of Final Report for Award DE-FG02-88ER13937 Project Title: Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and its Precursors on Metal Surfaces Applicant/Institution: Columbia University Principal Investigator: George W. Flynn Objectives: The objectives of this project were to reveal the mechanisms and reaction processes that solid carbon materials undergo when combining with gases such as oxygen, water vapor and hydrocarbons. This research was focused on fundamental chemical events taking place on single carbon sheets of graphene, a two-dimensional, polycyclic carbon material that possesses remarkable chemical and electronic properties. Ultimately, this work is related to the role of these materials in mediating the formation of polycyclic aromatic hydrocarbons (PAH’s), their reactions at interfaces, and the growth of soot particles. Our intent has been to contribute to a fundamental understanding of carbon chemistry and the mechanisms that control the formation of PAH’s, which eventually lead to the growth of undesirable particulates. We expect increased understanding of these basic chemical mechanisms to spur development of techniques for more efficient combustion of fossil fuels and to lead to a concomitant reduction in the production of undesirable solid carbon material. Project Description: Our work treated specifically the surface chemistry aspects of carbon reactions by using proximal probe (atomic scale imaging) techniques to study model systems of graphene that have many features in common with soot forming reactions of importance in combustion flames. Scanning tunneling microscopy (STM) is the main probe technique that we used to study the interfacial structure and chemistry of graphene, mainly because of its ability to elucidate surface structure and dynamics with molecular or even atomic resolution. Scanning tunneling spectroscopy (STS), which measures the local density of quantum states over a single

  6. GRASP92: a package for large-scale relativistic atomic structure calculations

    Science.gov (United States)

    Parpia, F. A.; Froese Fischer, C.; Grant, I. P.

    2006-12-01

    Program summaryTitle of program: GRASP92 Catalogue identifier: ADCU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCU_v1_1 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: no Programming language used: Fortran Computer: IBM POWERstation 320H Operating system: IBM AIX 3.2.5+ RAM: 64M words No. of lines in distributed program, including test data, etc.: 65 224 No of bytes in distributed program, including test data, etc.: 409 198 Distribution format: tar.gz Catalogue identifier of previous version: ADCU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 94 (1996) 249 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Lists of CSFs are either explicitly prescribed by the user or generated from a set of reference CSFs, a set of subshells, and rules for deriving other CSFs from these. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average level (AL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number, n, of CSFs. Optimal level (OL) functionals are weighted sums of energies of some subset of ASFs; the GRASP92 package is optimized for this latter class of functionals. The composition of an ASF in terms

  7. Microfabricated cells for chip-scale atomic clock based on coherent population trapping: Fabrication and investigation

    Directory of Open Access Journals (Sweden)

    S.V. Ermak

    2015-03-01

    Full Text Available A universal method for fabrication of miniature cells for frequency standards and quantum magnetometers containing 87Rb atoms in the atmosphere of inert gas neon based on integrated technologies is considered. The results of experimental studies of coherent population trapping signals observed for a series of cells which provided recovery of vapors of an alkali metal from the rubidium dichromate salt with the help of laser radiation are presented. The coherent population trapping signals with a typical linewidth of 2–3 kHz and a signal-to-noise ratio of 1500 in the 1-Hz bandwidth were observed, which allows one to provide a relative frequency stability of atomic clock of 10−11 at 100 s.

  8. Probing atomic-scale friction on reconstructed surfaces of single-crystal semiconductors

    Science.gov (United States)

    Goryl, M.; Budzioch, J.; Krok, F.; Wojtaszek, M.; Kolmer, M.; Walczak, L.; Konior, J.; Gnecco, E.; Szymonski, M.

    2012-02-01

    Friction force microscopy (FFM) investigations have been performed on reconstructed (001) surfaces of InSb and Ge in an ultrahigh vacuum. On the c(8×2) reconstruction of InSb(001) atomic resolution is achieved under superlubric conditions, and the features observed in the lateral force images are precisely reproduced by numerical simulations, taking into account possible decorations of the probing tip. On the simultaneously acquired (1×3) reconstruction a significant disorder of the surface atoms is observed. If the loading force increases, friction becomes much larger on this reconstruction compared to the c(8×2) one. In FFM images acquired on the Ge(001)(2×1) characteristic substructures are resolved within the unit cells. In such a case, a strong dependence of the friction pattern on the scan direction is observed.

  9. Scaling and Formulary cross sections for ion-atom impact ionization

    OpenAIRE

    Kaganovich, Igor D.; Startsev, Edward; Davidson, Ronald C.

    2004-01-01

    The values of ion-atom ionization cross sections are frequently needed for many applications that utilize the propagation of fast ions through matter. When experimental data and theoretical calculations are not available, approximate formulas are frequently used. This paper briefly summarizes the most important theoretical results and approaches to cross section calculations in order to place the discussion in historical perspective and offer a concise introduction to the topic. Based on expe...

  10. Atomic-scale studies of uranium oxidation and corrosion by water vapour

    OpenAIRE

    Martin, TL; Coe, C.; Bagot, PAJ; Morrall, P; Smith, GDW; Scott, T.; Moody, MP

    2016-01-01

    Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacia...

  11. Experimental determination of conduction channels in atomic scale conductors based on shot noise measurements

    OpenAIRE

    Vardimon, Ran; Klionsky, Marina; Tal, Oren

    2013-01-01

    We present an experimental procedure for obtaining the conduction channels of low-dimensional conductors based on shot noise measurements. The transmission coefficient for each channel is determined numerically from the measured conductance and Fano factor. The channel analysis is demonstrated for atomic contacts of Ag, Au, Al and Pt, showing their channel evolution as a function of conductance and mechanical elongation. This approach can be readily applied to map the conduction channels in a...

  12. Atomic-scale mapping of electronic structures across heterointerfaces by cross-sectional scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Interfacial science has received much attention recently based on the development of state-of-the-art analytical tools that can create and manipulate the charge, spin, orbital, and lattice degrees of freedom at interfaces. Motivated by the importance of nanoscale interfacial science that governs device operation, we present a technique to probe the electronic characteristics of heterointerfaces with atomic resolution. In this work, the interfacial characteristics of heteroepitaxial structures are investigated and the fundamental mechanisms that pertain in these systems are elucidated through cross-sectional scanning tunneling microscopy (XSTM). The XSTM technique is employed here to directly observe epitaxial interfacial structures and probe local electronic properties with atomic-level capability. Scanning tunneling microscopy and spectroscopy experiments with atomic precision provide insight into the origin and spatial distribution of electronic properties across heterointerfaces. The first part of this report provides a brief description of the cleavage technique and spectroscopy analysis in XSTM measurements. The second part addresses interfacial electronic structures of several model heterostructures in current condensed matter research using XSTM. Topics to be discussed include high-κ‘s/III–V’s semiconductors, polymer heterojunctions, and complex oxide heterostructures, which are all material systems whose investigation using this technique is expected to benefit the research community. Finally, practical aspects and perspectives of using XSTM in interface science are presented. (topical review)

  13. Atomic-Scale Characterization and Manipulation of Freestanding Graphene Using Adapted Capabilities of a Scanning Tunneling Microscope

    Science.gov (United States)

    Barber, Steven

    Graphene was the first two-dimensional material ever discovered, and it exhibits many unusual phenomena important to both pure and applied physics. To ensure the purest electronic structure, or to study graphene's elastic properties, it is often suspended over holes or trenches in a substrate. The aim of the research presented in this dissertation was to develop methods for characterizing and manipulating freestanding graphene on the atomic scale using a scanning tunneling microscope (STM). Conventional microscopy and spectroscopy techniques must be carefully reconsidered to account for movement of the extremely flexible sample. First, the acquisition of atomic-scale images of freestanding graphene using the STM and the ability to pull the graphene perpendicular to its plane by applying an electrostatic force with the STM tip are demonstrated. The atomic-scale images contained surprisingly large corrugations due to the electrostatic attractive force varying in registry with the local density of states. Meanwhile, a large range of control over the graphene height at a point was obtained by varying the tip bias voltage, and the application to strain engineering of graphene's so-called pseudomagnetic field is examined. Next, the effect of the tunneling current was investigated. With increasing current, the graphene sample moves away from the tip rather than toward it. It was determined that this must be due to local heating by the electric current, causing the graphene to contract because it has a negative coefficient of thermal expansion. Finally, by imaging a very small area, the STM can monitor the height of one location over long time intervals. Results sometimes exhibit periodic behavior, with a frequency and amplitude that depend on the tunneling current. These fluctuations are interpreted as low-frequency flexural phonon modes within elasticity theory. All of these findings set the foundation for employing a STM in the study of freestanding graphene.

  14. Atomic-scale investigation of interface-facilitated deformation twinning in severely deformed Ag-Cu nanolamellar composites

    International Nuclear Information System (INIS)

    We report an atomic-scale investigation of interface-facilitated deformation twinning behaviour in Ag-Cu nanolamellar composites. Profuse twinning activities in Ag supply partial dislocations to directly transmit across the Ag-Cu lamellar interface that promotes deformation twinning in the neighbouring Cu lamellae although the interface is severely deformed. The trans-interface twin bands change the local structure at the interface. Our analysis suggests that the orientation relationship and interfacial structure between neighbouring Ag-Cu lamellae play a crucial role in such special interface-facilitated twinning behaviour

  15. Large-Scale Fabrication of Carbon Nanotube Probe Tips For Atomic Force Microscopy Critical Dimension Imaging Applications

    Science.gov (United States)

    Ye, Qi Laura; Cassell, Alan M.; Stevens, Ramsey M.; Meyyappan, Meyya; Li, Jun; Han, Jie; Liu, Hongbing; Chao, Gordon

    2004-01-01

    Carbon nanotube (CNT) probe tips for atomic force microscopy (AFM) offer several advantages over Si/Si3N4 probe tips, including improved resolution, shape, and mechanical properties. This viewgraph presentation discusses these advantages, and the drawbacks of existing methods for fabricating CNT probe tips for AFM. The presentation introduces a bottom up wafer scale fabrication method for CNT probe tips which integrates catalyst nanopatterning and nanomaterials synthesis with traditional silicon cantilever microfabrication technology. This method makes mass production of CNT AFM probe tips feasible, and can be applied to the fabrication of other nanodevices with CNT elements.

  16. Atomic-scale investigation of interface-facilitated deformation twinning in severely deformed Ag-Cu nanolamellar composites

    Energy Technology Data Exchange (ETDEWEB)

    An, X. H., E-mail: anxianghai@gmail.com, E-mail: xiaozhou.liao@sydenye.edu.au; Cao, Y.; Liao, X. Z., E-mail: anxianghai@gmail.com, E-mail: xiaozhou.liao@sydenye.edu.au [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, New South Wales 2006 (Australia); Zhu, S. M.; Nie, J. F. [Department of Materials Engineering, Monash University, Melbourne, Victoria 3800 (Australia); Kawasaki, M. [Division of Materials Science and Engineering, Hanyang University, 17 Haengdang-dong, Seongdong-gu, Seoul 133-791 (Korea, Republic of); Ringer, S. P. [School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Sydney, New South Wales 2006 (Australia); Australian Centre for Microscopy and Microanalysis, The University of Sydney, Sydney, New South Wales 2006 (Australia); Langdon, T. G. [Departments of Aerospace and Mechanical Engineering and Materials Science, University of Southern California, Los Angeles, California 90089-1453 (United States); Materials Research Group, Faculty of Engineering and the Environment, University of Southampton, Southampton SO17 1BJ (United Kingdom); Zhu, Y. T. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695-7919 (United States); School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing (China)

    2015-07-06

    We report an atomic-scale investigation of interface-facilitated deformation twinning behaviour in Ag-Cu nanolamellar composites. Profuse twinning activities in Ag supply partial dislocations to directly transmit across the Ag-Cu lamellar interface that promotes deformation twinning in the neighbouring Cu lamellae although the interface is severely deformed. The trans-interface twin bands change the local structure at the interface. Our analysis suggests that the orientation relationship and interfacial structure between neighbouring Ag-Cu lamellae play a crucial role in such special interface-facilitated twinning behaviour.

  17. Development of high-sensitivity NMOR magnetometry for an EDM experiment

    Science.gov (United States)

    Nanao, T.; Yoshimi, A.; Inoue, T.; Furukawa, T.; Tsuchiya, M.; Hayashi, H.; Uchida, M.; Asahi, K.

    2011-09-01

    Developments are in progress aiming at the search for a permanent Electric Dipole Moment (EDM) in 129Xe atom using a low-frequency nuclear spin maser. In the EDM experiment, drifts in the applied static magnetic field in a long time scale are the dominating source of errors in frequency determination. The stability of the applied field and its monitoring by use of a high sensitivity magnetometer are thus the indispensable part of the EDM experiment. We are developing a magnetometer based on the Nonlinear Magneto-Optical Rotation (NMOR) effect in Rb atom. The sharp response to the magnetic field in this apparatus relies on a long relaxation time of the atomic spin alignment induced by linearly polarized laser light, and thus the suppression of the atomic decoherence should be essential for its sensitivity. Coating the inner walls of the cell with an antirelaxation layer, introducing a buffer gas in the cell and cancelling the transverse magnetic field should be effective in preventing atoms from depolarization. We obtained several NMOR spectra for Rb in cylindrical cells in such attempts. Up to now a sensitivity of δB=1.5 × 10-5 G has been attained in the present setup.

  18. Development of high-sensitivity NMOR magnetometry for an EDM experiment

    International Nuclear Information System (INIS)

    Developments are in progress aiming at the search for a permanent Electric Dipole Moment (EDM) in 129Xe atom using a low-frequency nuclear spin maser. In the EDM experiment, drifts in the applied static magnetic field in a long time scale are the dominating source of errors in frequency determination. The stability of the applied field and its monitoring by use of a high sensitivity magnetometer are thus the indispensable part of the EDM experiment. We are developing a magnetometer based on the Nonlinear Magneto-Optical Rotation (NMOR) effect in Rb atom. The sharp response to the magnetic field in this apparatus relies on a long relaxation time of the atomic spin alignment induced by linearly polarized laser light, and thus the suppression of the atomic decoherence should be essential for its sensitivity. Coating the inner walls of the cell with an antirelaxation layer, introducing a buffer gas in the cell and cancelling the transverse magnetic field should be effective in preventing atoms from depolarization. We obtained several NMOR spectra for Rb in cylindrical cells in such attempts. Up to now a sensitivity of δB=1.5 x 10-5 G has been attained in the present setup.

  19. Scaling of a driven atomic gas from the weakly-dressed to the quantum critical regime

    CERN Document Server

    Helmrich, S; Whitlock, S

    2016-01-01

    The emergence of correlations in complex many-body systems can be accompanied by unexpectedly simple scaling laws which signal new physical regimes or universal relations between otherwise very different physical systems. We demonstrate that non-equilibrium scaling laws can reveal the different regimes of strongly-interacting quantum systems driven to highly excited states. For weak or far off-resonant driving we find that the dependence of the excitation rate on coupling strength is well described by power laws characteristic of the dissipative or weakly-dressed regimes, while for strong near-resonant driving we observe a crossover to the quantum critical regime. For intermediate detunings we discover superlinear intensity scaling in a new regime, indicative of cooperative excitation processes, which extends the domain where scale-invariant behavior can be found in driven quantum systems.

  20. Atomic-scale simulation study of some bulk and interfacial properties of iron aluminium ordered alloys

    International Nuclear Information System (INIS)

    A semi-empirical potential was designed for B2 and DO3 iron aluminides and used to study point defects and grain boundaries in these compounds. At low temperature, departure from B2 stoichiometry is accommodated with antisite defects; when T increases, iron vacancies appear and defects have a trend to form clusters, the structure of which is very sensitive to this departure. Our calculations, relying on T = 0 K formation energies, predict the nature of major defects, but lead to underestimated quantitative results, which may point out the essential role of atomic vibrations. In the stoichiometric B2 compound, the diffusion of both species is induced by four-jump cycles involving iron vacancies. Although the agreement between our calculated activation energies and other experiments is good, the calculated diffusion coefficients are below the experimental ones. Here again, this discrepancy may be put down to the overlooking of phonon contributions. The second application concerns the atomic structures of the [001] (310) symmetric tilt grain boundary in the B2 and DO3 compounds. At low temperature, in the stoichiometric B2 compound, we obtain an iron-rich single stable structure (pseudo-symmetric), whose structure is strongly influenced by the bulk composition (with intergranular segregation of the major element). In the stoichiometric DO3 compound, many energetically equivalent structures exist, all being systematically aluminium-rich. The study of the B2 grain boundary structure at high temperature shows a phase transition favouring a symmetric structure. Its high excess energy at low temperature emphasizes the influence of atomic vibrations in the interfacial properties of B2 Fe-Al compounds. (author)

  1. Nano-scale mechanical probing of supported lipid bilayers with atomic force microscopy

    OpenAIRE

    Das, Chinmay; Sheik, Khizar H.; Olmsted, Peter D.; Connell, Simon D.

    2010-01-01

    We present theory and experiments for the force-distance curve $F(z_0)$ of an atomic force microscope (AFM) tip (radius $R$) indenting a supported fluid bilayer (thickness $2d$). For realistic conditions the force is dominated by the area compressibility modulus $\\kappa_A$ of the bilayer, and, to an excellent approximation, given by $F= \\pi \\kappa_A R z_0^2/(2d-z_0)^2$. The experimental AFM force curves from coexisting liquid ordered and liquid disordered domains in 3-component lipid bilayers...

  2. Atomic-Scale Study of Mineral Luminescent Materials and Their Microstructures

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    @@The aim of this thesis is to study the luminescence of fluorite: Eu3+ fluorite, Eu2+ and wollastonite: Ce3+, Tba+,to discuss crystal structures and defects using solid atomic images with high resolution transmission electron microscope,and to deal with the luminescent effect of mineral microscopic structure.In general, because of Eu3+ belongs to electric dipole transition, it is forbidden to free ion. But in fluorite, Eu3+system, Eu3+ is located at the nonsymmetrical center, and theparity selection rules are broken.

  3. Atomic force microscopy-coupled microcoils for cellular-scale nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Mousoulis, Charilaos; Maleki, Teimour; Ziaie, Babak; Neu, Corey P.

    2013-04-01

    We present the coupling of atomic force microscopy (AFM) and nuclear magnetic resonance (NMR) technologies to enable topographical, mechanical, and chemical profiling of biological samples. Here, we fabricate and perform proof-of-concept testing of radiofrequency planar microcoils on commercial AFM cantilevers. The sensitive region of the coil was estimated to cover an approximate volume of 19.4 × 103 μm3 (19.4 pl). Functionality of the spectroscopic module of the prototype device is illustrated through the detection of 1Η resonance in deionized water. The acquired spectra depict combined NMR capability with AFM that may ultimately enable biophysical and biochemical studies at the single cell level.

  4. Exploring mesoscopic physics of vacancy-ordered systems through atomic scale observations of topological defects.

    Science.gov (United States)

    Borisevich, A Y; Morozovska, A N; Kim, Young-Min; Leonard, D; Oxley, M P; Biegalski, M D; Eliseev, E A; Kalinin, S V

    2012-08-10

    Vacancy-ordered transition metal oxides have multiple similarities to classical ferroic systems including ferroelectrics and ferroelastics. The expansion coefficients for corresponding Ginzburg-Landau-type free energies are readily accessible from bulk phase diagrams. Here, we demonstrate that the gradient and interfacial terms can quantitatively be determined from the atomically resolved scanning transmission electron microscopy data of the topological defects and interfaces in model lanthanum-strontium cobaltite. With this knowledge, the interplay between ordering, chemical composition, and mechanical effects at domain walls, interfaces and structural defects can be analyzed.

  5. Morphology and atomic-scale structure of single-layer WS2 nanoclusters.

    Science.gov (United States)

    Füchtbauer, Henrik G; Tuxen, Anders K; Moses, Poul G; Topsøe, Henrik; Besenbacher, Flemming; Lauritsen, Jeppe V

    2013-10-14

    Two-dimensional sheets of transition metal (Mo and W) sulfides are attracting strong attention due to the unique electronic and optical properties associated with the material in its single-layer form. The single-layer MoS2 and WS2 are already in widespread commercial use in catalytic applications as both hydrotreating and hydrocracking catalysts. Consequently, characterization of the morphology and atomic structure of such particles is of utmost importance for the understanding of the catalytic active phase. However, in comparison with the related MoS2 system only little is known about the fundamental properties of single-layer WS2 (tungstenite). Here, we use an interplay of atom-resolved Scanning Tunneling Microscopy (STM) studies of Au(111)-supported WS2 nanoparticles and calculated edge structures using Density Functional Theory (DFT) to reveal the equilibrium morphology and prevalent edge structures of single-layer WS2. The STM results reveal that the single layer S-W-S sheets adopt a triangular equilibrium shape under the sulfiding conditions of the synthesis, with fully sulfided edges. The predominant edge structures are determined to be the (101[combining macron]0) W-edge, but for the smallest nanoclusters also the (1[combining macron]010) S-edges become important. DFT calculations are used to construct phase diagrams of the WS2 edges, and describe their sulfur and hydrogen coordination under different conditions, and in this way shed light on the catalytic role of WS2 edges.

  6. Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization

    Science.gov (United States)

    Derycke, Vincent; Soukiassian, Patrick G.; Amy, Fabrice; Chabal, Yves J.; D'Angelo, Marie D.; Enriquez, Hanna B.; Silly, Mathieu G.

    2003-04-01

    Passivation of semiconductor surfaces against chemical attack can be achieved by terminating the surface-dangling bonds with a monovalent atom such as hydrogen. Such passivation invariably leads to the removal of all surface states in the bandgap, and thus to the termination of non-metallic surfaces. Here we report the first observation of semiconductor surface metallization induced by atomic hydrogen. This result, established by using photo-electron and photo-absorption spectroscopies and scanning tunnelling techniques, is achieved on a Si-terminated cubic silicon carbide (SiC) surface. It results from competition between hydrogen termination of surface-dangling bonds and hydrogen-generated steric hindrance below the surface. Understanding the ingredient for hydrogen-stabilized metallization directly impacts the ability to eliminate electronic defects at semiconductor interfaces critical for microelectronics, provides a means to develop electrical contacts on high-bandgap chemically passive materials, particularly for interfacing with biological systems, and gives control of surfaces for lubrication, for example of nanomechanical devices.

  7. Large-scale quantum transport calculations for electronic devices with over ten thousand atoms

    Science.gov (United States)

    Lu, Wenchang; Lu, Yan; Xiao, Zhongcan; Hodak, Miro; Briggs, Emil; Bernholc, Jerry

    The non-equilibrium Green's function method (NEGF) has been implemented in our massively parallel DFT software, the real space multigrid (RMG) code suite. Our implementation employs multi-level parallelization strategies and fully utilizes both multi-core CPUs and GPU accelerators. Since the cost of the calculations increases dramatically with the number of orbitals, an optimal basis set is crucial for including a large number of atoms in the ``active device'' part of the simulations. In our implementation, the localized orbitals are separately optimized for each principal layer of the device region, in order to obtain an accurate and optimal basis set. As a large example, we calculated the transmission characteristics of a Si nanowire p-n junction. The nanowire is along (110) direction in order to minimize the number dangling bonds that are saturated by H atoms. Its diameter is 3 nm. The length of 24 nm is necessary because of the long-range screening length in Si. Our calculations clearly show the I-V characteristics of a diode, i.e., the current increases exponentially with forward bias and is near zero with backward bias. Other examples will also be presented, including three-terminal transistors and large sensor structures.

  8. Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale.

    Science.gov (United States)

    Zoberbier, Thilo; Chamberlain, Thomas W; Biskupek, Johannes; Suyetin, Mikhail; Majouga, Alexander G; Besley, Elena; Kaiser, Ute; Khlobystov, Andrei N

    2016-03-23

    The nature and dynamics of bonding between Fe, Ru, Os, and single-walled carbon nanotubes (SWNTs) is studied by aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM). The metals catalyze a wide variety of different transformations ranging from ejection of carbon atoms from the nanotube sidewall to the formation of hollow carbon shells or metal carbide within the SWNT, depending on the nature of the metal. The electron beam of AC-HRTEM serves the dual purpose of providing energy to the specimen and simultaneously enabling imaging of chemical transformations. Careful control of the electron beam parameters, energy, flux, and dose allowed direct comparison between the metals, demonstrating that their chemical reactions with SWNTs are determined by a balance between the cohesive energy of the metal particles and the strength of the metal-carbon σ- or π-bonds. The pathways of transformations of a given metal can be drastically changed by applying different electron energies (80, 40, or 20 keV), thus demonstrating AC-HRTEM as a new tool to direct and study chemical reactions. The understanding of interactions and bonding between SWNT and metals revealed by AC-HRTEM at the atomic level has important implications for nanotube-based electronic devices and catalysis. PMID:26848826

  9. Validation of Force Fields of Rubber through Glass-Transition Temperature Calculation by Microsecond Atomic-Scale Molecular Dynamics Simulation.

    Science.gov (United States)

    Sharma, Pragati; Roy, Sudip; Karimi-Varzaneh, Hossein Ali

    2016-02-25

    Microsecond atomic-scale molecular dynamics simulation has been employed to calculate the glass-transition temperature (Tg) of cis- and trans-1,4-polybutadiene (PB) and 1,4-polyisoprene (PI). Both all-atomistic and united-atom models have been simulated using force fields, already available in literature. The accuracy of these decade old force fields has been tested by comparing calculated glass-transition temperatures to the corresponding experimental values. Tg depicts the phase transition in elastomers and substantially affects various physical properties of polymers, and hence the reproducibility of Tg becomes very crucial from a thermodynamic point of view. Such validation using Tg also evaluates the ability of these force fields to be used for advanced materials like rubber nanocomposites, where Tg is greatly affected by the presence of fillers. We have calculated Tg for a total of eight systems, featuring all-atom and united-atom models of cis- and trans-PI and -PB, which are the major constituents of natural and synthetic rubber. Tuning and refinement of the force fields has also been done using quantum-chemical calculations to obtain desirable density and Tg. Thus, a set of properly validated force fields, capable of reproducing various macroscopic properties of rubber, has been provided. A novel polymer equilibration protocol, involving potential energy convergence as the equilibration criterion, has been proposed. We demonstrate that not only macroscopic polymer properties like density, thermal expansion coefficient, and Tg but also local structural characteristics like end-to-end distance (R) and radius of gyration (Rg) and mechanical properties like bulk modulus have also been equilibrated using our strategy. Complete decay of end-to-end vector autocorrelation function with time also supports proper equilibration using our strategy. PMID:26836395

  10. Atomic scale modeling of defect production and microstructure evolution in irradiated metals

    Energy Technology Data Exchange (ETDEWEB)

    Diaz de la Rubia, T.; Soneda, N.; Shimomura, Y. [Lawrence Livermore National Lab., CA (United States)] [and others

    1997-04-01

    Irradiation effects in materials depend in a complex way on the form of the as-produced primary damage state and its spatial and temporal evolution. Thus, while collision cascades produce defects on a time scale of tens of picosecond, diffusion occurs over much longer time scales, of the order of seconds, and microstructure evolution over even longer time scales. In this report the authors present work aimed at describing damage production and evolution in metals across all the relevant time and length scales. They discuss results of molecular dynamics simulations of displacement cascades in Fe and V. They show that interstitial clusters are produced in cascades above 5 keV, but not vacancy clusters. Next, they discuss the development of a kinetic Monte Carlo model that enables calculations of damage evolution over much longer time scales (1000`s of s) than the picosecond lifetime of the cascade. They demonstrate the applicability of the method by presenting predictions on the fraction of freely migrating defects in {alpha}Fe during irradiation at 600 K.

  11. Universal Scaling Law for Atomic Diffusion and Viscosity in Liquid Metals

    Institute of Scientific and Technical Information of China (English)

    LI Guang-Xu; LIU Chang-Song; ZHU Zhen-Gang

    2004-01-01

    @@ The recently proposed scaling law relating the diffusion coefficient and the excess entropy of liquid[Samanta A et al. 2004 Phys. Rev. Lett. 92 145901; Dzugutov M 1996 Nature 381 137], and a quasi-universal relationship between the transport coefficients and excess entropy of dense fluids [Rosenfeld Y 1977 Phys. Rev. A 15 2545],are tested for diverse liquid metals using molecular dynamics simulations. Interatomic potentials derived from the glue potential and second-moment approximation of tight-binding scheme are used to study liquid metals.Our simulation results give sound support to the above-mentioned universal scaling laws. Following Dzugutov,we have also reached a new universal scaling relationship between the viscosity coefficient and excess entropy. The simulation results suggest that the reduced transport coefficients can be expressed approximately in terms of the corresponding packing density.

  12. Fe-implanted 6H-SiC: Direct evidence of Fe{sub 3}Si nanoparticles observed by atom probe tomography and {sup 57}Fe Mössbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Diallo, M. L.; Fnidiki, A., E-mail: abdeslem.fnidiki@univ-rouen.fr; Lardé, R.; Cuvilly, F.; Blum, I. [Groupe de Physique des Matériaux, Université et INSA de Rouen - UMR CNRS 6634 - Normandie Université. F-76801 Saint Etienne du Rouvray (France); Lechevallier, L. [Groupe de Physique des Matériaux, Université et INSA de Rouen - UMR CNRS 6634 - Normandie Université. F-76801 Saint Etienne du Rouvray (France); Département de GEII, Université de Cergy-Pontoise, rue d' Eragny, Neuville sur Oise, 95031 Cergy-Pontoise (France); Debelle, A.; Thomé, L. [Centre de Spectrométrie Nucléaire et de Spectrométrie de Masse (CSNSM), CNRS-IN2P3-Univ. Paris-Sud 11, Bât. 108, 91405 Orsay (France); Viret, M. [Service de Physique de l' Etat Condensé (DSM/IRAMIS/SPEC), UMR 3680 CNRS, Bât. 772, Orme des Merisiers, CEA Saclay 91191 Gif sur Yvette (France); Marteau, M.; Eyidi, D.; Declémy, A. [Institut PPRIME, UPR 3346 CNRS, Université de Poitiers, ENSMA, SP2MI, téléport 2, 11 Bvd M. et P. Curie 86962 Futuroscope, Chasseneuil (France)

    2015-05-14

    In order to understand ferromagnetic ordering in SiC-based diluted magnetic semiconductors, Fe-implanted 6H-SiC subsequently annealed was studied by Atom Probe Tomography, {sup 57}Fe Mössbauer spectroscopy and SQUID magnetometry. Thanks to its 3D imaging capabilities at the atomic scale, Atom Probe Tomography appears as the most suitable technique to investigate the Fe distribution in the 6H-SiC host semiconductor and to evidence secondary phases. This study definitely evidences the formation of Fe{sub 3}Si nano-sized clusters after annealing. These clusters are unambiguously responsible for the main part of the magnetic properties observed in the annealed samples.

  13. Nanometer-scale manipulator and ultrasonic cutter using an atomic force microscope controlled by a haptic device

    Science.gov (United States)

    Iwata, F.; Kawanishi, S.; Sasaki, A.; Aoyama, H.; Ushiki, T.

    2008-10-01

    We describe a nanometer-scale manipulatoion and cutting method using ultrasonic oscillation scratching. The system is based on a modified atomic force microscope (AFM) coupled with a haptic device as a human interface. By handling the haptic device, the operator can directly move the AFM probe to manipulate nanometer scale objects and cut a surface while feeling the reaction from the surface in his or her fingers. As for manipulation using the system, nanometer-scale spheres were controllably moved by feeling the sensation of the AFM probe touching the spheres. As for cutting performance, the samples were prepared on an AT-cut quartz crystal resonator (QCR) set on an AFM sample holder. The QCR oscillates at its resonance frequency (9 MHz) with an amplitude of a few nanometers. Thus it is possible to cut the sample surface smoothly by the interaction between the AFM probe and the oscillating surface, even when the samples are viscoelastics such as polymers and biological samples. The ultrasonic nano-manipulation and cutting system would be a very useful and effective tool in the fields of nanometer-scale engineering and biological sciences.

  14. Coronal magnetometry

    CERN Document Server

    Zhang, Jie; Bastian, Timothy

    2014-01-01

    This volume is a collection of research articles on the subject of the solar corona, and particularly, coronal magnetism. The book was motivated by the Workshop on Coronal Magnetism: Connecting Models to Data and the Corona to the Earth, which was held 21 - 23 May 2012 in Boulder, Colorado, USA. This workshop was attended by approximately 60 researchers. Articles from this meeting are contained in this topical issue, but the topical issue also contains contributions from researchers not present at the workshop. This volume is aimed at researchers and graduate students active in solar physics. Originally published in Solar Physics, Vol. 288, Issue 2, 2013 and Vol. 289, Issue 8, 2014.

  15. Atomic-scale simulation of nano-grains:structure and diffusion properties

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Nanograins are characterized by a typical grain size from 1 to 100 nm. Molecular dynamics simulations have been carried out for the nanograin sphere with the diameters from 1.45 to 10.12 nm. We study the influence of grain size on structure and diffusion properties of the nanograins. The results reveal that as the grain size is reduced, the fraction of grain surface increases significantly, and the surface width is approximately constant; the mean atomic energy of the surface increases distinctly, but that of the grain interior varies insignificantly; the diffusion coefficient is increased sharply, and the relation of the diffusion coefficient and the grain size is close to exponential relation below 10 nm.

  16. Atomic-scale study of vapour growth morphology of crystalline urea

    Energy Technology Data Exchange (ETDEWEB)

    Singh, M.K. [Laser Materials Development and Devices Division, Raja Ramanna Centre for Advanced Technology, Indore (India); Banerjee, A. [Laser Physics Applications Division, Raja Ramanna Centre for Advanced Technology, Indore (India)

    2011-10-15

    The role of surface relaxation on habit controlling energetics and growth morphology are investigated within the framework of Burton-Cabrera-Frank (BCF) and Hartman-Perdok (HP) models. The habit controlling energetics has been calculated using first principles method. The growth morphology obtained using BCF theory shows that the structural relaxation has considerable effect on growth morphology. The relaxed growth morphology obtained using BCF model match with the experimental result from vapour phase. On the other hand the shape obtained using HP model does not correspond with the experimental shape. Observed polar growth morphology of urea crystal has been discussed particularly in the context of different atomic environments of (111) and (111) faces. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Atomic-scale observation of lithiation reaction front in nanoscale SnO 2 materials

    KAUST Repository

    Nie, Anmin

    2013-07-23

    In the present work, taking advantage of aberration-corrected scanning transmission electron microscopy, we show that the dynamic lithiation process of anode materials can be revealed in an unprecedented resolution. Atomically resolved imaging of the lithiation process in SnO2 nanowires illustrated that the movement, reaction, and generation of b = [1Ì...1Ì...1] mixed dislocations leading the lithiated stripes effectively facilitated lithium-ion insertion into the crystalline interior. The geometric phase analysis and density functional theory simulations indicated that lithium ions initial preference to diffuse along the [001] direction in the {200} planes of SnO2 nanowires introduced the lattice expansion and such dislocation behaviors. At the later stages of lithiation, the Li-induced amorphization of rutile SnO2 and the formation of crystalline Sn and LixSn particles in the Li2O matrix were observed. © 2013 American Chemical Society.

  18. Nano-scale mechanical probing of supported lipid bilayers with atomic force microscopy

    CERN Document Server

    Das, Chinmay; Olmsted, Peter D; Connell, Simon D

    2010-01-01

    We present theory and experiments for the force-distance curve $F(z_0)$ of an atomic force microscope (AFM) tip (radius $R$) indenting a supported fluid bilayer (thickness $2d$). For realistic conditions the force is dominated by the area compressibility modulus $\\kappa_A$ of the bilayer, and, to an excellent approximation, given by $F= \\pi \\kappa_A R z_0^2/(2d-z_0)^2$. The experimental AFM force curves from coexisting liquid ordered and liquid disordered domains in 3-component lipid bilayers are well-described by our model, and provides $\\kappa_A$ in agreement with literature values. The liquid ordered phase has a yield like response that we model by hydrogen bond breaking.

  19. Minimum threshold for incipient plasticity in the atomic-scale nanoindentation of Au(111).

    Science.gov (United States)

    Paul, William; Oliver, David; Miyahara, Yoichi; Grütter, Peter H

    2013-03-29

    The formation of the smallest permanent indentation in a Au(111) surface is studied by scanning tunneling microscopy and atomic force microscopy in ultrahigh vacuum. The 9.5 nm radius W(111) indenter was characterized in situ by field ion microscopy. Elastic and plastic indentations are identified both in the residual impression image and by features in their force-displacement curves such as the sink-in depth, pop-ins, and hysteresis energy. Plasticity is best identified quantitatively in the force-displacement curves by the sink-in depth. The minimum of plastic damage producible in the substrate is associated with an energy budget of ∼70  eV.

  20. Optical and electrical excitation of nanoantennas with atomic-scale gaps

    OpenAIRE

    Kern, Johannes

    2015-01-01

    Nano-antennas are an emerging concept for the manipulation and control of optical fields at the sub-wavelength scale. In analogy to their radio- and micro-wave counterparts they provide an efficient link between propagating and localized fields. Antennas operating at optical frequencies are typically on the order of a few hundred nanometer in size and are fabricated from noble metals. Upon excitation with an external field the electron gas inside the antenna can respond resonantly, if the dim...

  1. Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and Its Precursors on Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Flynn, George W [Columbia University

    2015-02-16

    Executive Summary of Final Report for Award DE-FG02-88ER13937 Project Title: Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and its Precursors on Metal Surfaces Applicant/Institution: Columbia University Principal Investigator: George W. Flynn Objectives: The objectives of this project were to reveal the mechanisms and reaction processes that solid carbon materials undergo when combining with gases such as oxygen, water vapor and hydrocarbons. This research was focused on fundamental chemical events taking place on single carbon sheets of graphene, a two-dimensional, polycyclic carbon material that possesses remarkable chemical and electronic properties. Ultimately, this work is related to the role of these materials in mediating the formation of polycyclic aromatic hydrocarbons (PAH’s), their reactions at interfaces, and the growth of soot particles. Our intent has been to contribute to a fundamental understanding of carbon chemistry and the mechanisms that control the formation of PAH’s, which eventually lead to the growth of undesirable particulates. We expect increased understanding of these basic chemical mechanisms to spur development of techniques for more efficient combustion of fossil fuels and to lead to a concomitant reduction in the production of undesirable solid carbon material. Project Description: Our work treated specifically the surface chemistry aspects of carbon reactions by using proximal probe (atomic scale imaging) techniques to study model systems of graphene that have many features in common with soot forming reactions of importance in combustion flames. Scanning tunneling microscopy (STM) is the main probe technique that we used to study the interfacial structure and chemistry of graphene, mainly because of its ability to elucidate surface structure and dynamics with molecular or even atomic resolution. Scanning tunneling spectroscopy (STS), which measures the local density of quantum states over a single

  2. Torque Magnetometry and Thermomagnetic Capacity Studies on a 2-d Cr^4+ Antiferromagnet

    Science.gov (United States)

    Kaur, Narpinder; Nellutla, Saritha; Jo, Youn-Jung; Balicas, Luis; van Tol, Johan; Dalal, Naresh

    2007-03-01

    We report torque magnetometry and magnetic heat capacity measurements on a rare complex, Cr^IV-Diethylenetriamine diperoxo. The motivation here was to search for a simple spin-gap system that could exhibit a Bose-Einstein type condensation (BEC) of magnons. Our earlier reported magnetization and specific heat (Cp) measurements had indicated that this compound is a 2-d antiferromagnet, with a TN of 2.55 K in zero-field [1]. These magnetization and Cp data have now been augmented by use of additional magnetic fields, and the newly found B-T phase diagram is seen to be clearly parabolic. Torque magnetometry confirmed the Cp data and has enabled measurements close to the T -> 0 K, B ˜ 12.5 T region. Measurements in the dilution fridge are planned to extract the critical exponent (α) from the relation kbTc˜ (Bc-B)^α . We surmise that this system will constitute a simple new model for examining the BEC of magnons in detail. [1] C.M. Ramsey, B. Cage, P. Nguyen, K.A. Abboud, N.S. Dalal, Chem. Mater. 15, 92 (2003).

  3. Magnetometry and electron paramagnetic resonance studies of phosphine- and thiol-capped gold nanoparticles

    Science.gov (United States)

    Guerrero, E.; Muñoz-Márquez, M. A.; Fernández, A.; Crespo, P.; Hernando, A.; Lucena, R.; Conesa, J. C.

    2010-03-01

    In the last years, the number of studies performed by wholly independent research groups that confirm the permanent magnetism, first observed in our research lab, for thiol-capped Au nanoparticles (NPs) has rapidly increased. Throughout the years, the initial magnetometry studies have been completed with element-specific magnetization measurements based on, for example, the x-ray magnetic circular dichroism technique that have allowed the identification of gold as the magnetic moment carrier. In the research work here presented, we have focused our efforts in the evaluation of the magnetic behavior and iron impurities content in the synthesized samples by means of superconducting quantum interference device magnetometry and electron paramagnetic resonance spectrometry, respectively. As a result, hysteresis cycles typical of a ferromagnetic material have been measured from nominally iron-free gold NPs protected with thiol, phosphine, and chlorine ligands. It is also observed that for samples containing both, capped gold NPs and highly diluted iron concentrations, the magnetic behavior of the NPs is not affected by the presence of paramagnetic iron impurities. The hysteresis cycles reported for phosphine-chlorine-capped gold NPs confirm that the magnetic behavior is not exclusively for the metal-thiol system.

  4. Composite-pulse magnetometry with a solid-state quantum sensor

    Science.gov (United States)

    Aiello, Clarice D.; Hirose, Masashi; Cappellaro, Paola

    2013-01-01

    The sensitivity of quantum magnetometer is challenged by control errors and, especially in the solid state, by their short coherence times. Refocusing techniques can overcome these limitations and improve the sensitivity to periodic fields, but they come at the cost of reduced bandwidth and cannot be applied to sense static or aperiodic fields. Here we experimentally demonstrate that continuous driving of the sensor spin by a composite pulse known as rotary-echo yields a flexible magnetometry scheme, mitigating both driving power imperfections and decoherence. A suitable choice of rotary-echo parameters compensates for different scenarios of noise strength and origin. The method can be applied to nanoscale sensing in variable environments or to realize noise spectroscopy. In a room-temperature implementation, based on a single electronic spin in diamond, composite-pulse magnetometry provides a tunable trade-off between sensitivities in the μTHz-1/2 range, comparable with those obtained with Ramsey spectroscopy, and coherence times approaching T1.

  5. Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour

    Science.gov (United States)

    Martin, T. L.; Coe, C.; Bagot, P. A. J.; Morrall, P.; Smith, G. D. W.; Scott, T.; Moody, M. P.

    2016-07-01

    Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour.

  6. Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour.

    Science.gov (United States)

    Martin, T L; Coe, C; Bagot, P A J; Morrall, P; Smith, G D W; Scott, T; Moody, M P

    2016-01-01

    Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour. PMID:27403638

  7. Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour

    Science.gov (United States)

    Martin, T. L.; Coe, C.; Bagot, P. A. J.; Morrall, P.; Smith, G. D. W; Scott, T.; Moody, M. P.

    2016-01-01

    Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour. PMID:27403638

  8. Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

    Science.gov (United States)

    H, D. Aristizabal; P, A. Parra; P, López; E, Restrepo-Parra

    2016-01-01

    This work has two main purposes: (i) introducing the basic concepts of molecular dynamics analysis to material scientists and engineers, and (ii) providing a better understanding of instrumented indentation measurements, presenting an example of nanoindentation and scratch test simulations. To reach these purposes, three-dimensional molecular dynamics (MD) simulations of nanoindentation and scratch test technique were carried out for generic thin films that present BCC crystalline structures. Structures were oriented in the plane (100) and placed on FCC diamond substrates. A pair wise potential was employed to simulate the interaction between atoms of each layer and a repulsive radial potential was used to represent a spherical tip indenting the sample. Mechanical properties of this generic material were obtained by varying the indentation depth and dissociation energy. The load-unload curves and coefficient of friction were found for each test; on the other hand, dissociation energy was varied showing a better mechanical response for films that present grater dissociation energy. Structural change evolution was observed presenting vacancies and slips as the depth was varied. Project supported by la DirecciónNacional de Investigación of the Universidad Nacional de Colombia, “the Theoretical Study of Physical Properties of Hard Materials for Technological Applications” (Grant No. 20101007903).

  9. Atomic-scale redistribution of Pt during reactive diffusion in Ni (5% Pt)-Si contacts

    Energy Technology Data Exchange (ETDEWEB)

    Cojocaru-Miredin, O. [Universite de Rouen, GPM, UMR CNRS 6634 BP 12, Avenue de l' Universite, 76801 Saint Etienne de Rouvray (France); Cadel, E., E-mail: emmanuel.cadel@univ-rouen.fr [Universite de Rouen, GPM, UMR CNRS 6634 BP 12, Avenue de l' Universite, 76801 Saint Etienne de Rouvray (France); Blavette, D. [Universite de Rouen, GPM, UMR CNRS 6634 BP 12, Avenue de l' Universite, 76801 Saint Etienne de Rouvray (France); Mangelinck, D.; Hoummada, K. [Universite Paul Cezanne Laboratoire IM2NP - UMR 6137 CNRS Case 142, 13397 Marseille Cedex 20 (France); Genevois, C.; Deconihout, B. [Universite de Rouen, GPM, UMR CNRS 6634 BP 12, Avenue de l' Universite, 76801 Saint Etienne de Rouvray (France)

    2009-06-15

    The NiSi silicide that forms by reactive diffusion between Ni and Si active regions of nanotransistors is used nowadays as contacts in nanoelectronics because of its low resistivity. Pt is added to the Ni film in order to stabilise the NiSi phase against the formation of the high-resistivity NiSi{sub 2} phase and agglomeration. In situ X-ray diffraction (XRD) experiments performed on material aged at 350 {sup o}C (under vacuum) showed the complete consumption of the Ni (5 at% Pt) phase, the regression of Ni{sub 2}Si phase as well as the growth of the NiSi phase after 48 min. Pt distribution for this heat treatment has been analysed by laser-assisted tomographic atom probe (LATAP). An enrichment of platinum in the middle of the NiSi phase suggests that Pt is almost immobile during the growth of NiSi at the two interfaces: Ni{sub 2}Si/NiSi and NiSi/Si. In the peak, platinum was found to substitute for Ni in the NiSi phase. Very small amounts of Pt were also found in the Ni{sub 2}Si phase close to the surface and at the NiSi/Si interface.

  10. Atomic-scale redistribution of Pt during reactive diffusion in Ni (5% Pt)-Si contacts.

    Science.gov (United States)

    Cojocaru-Mirédin, O; Cadel, E; Blavette, D; Mangelinck, D; Hoummada, K; Genevois, C; Deconihout, B

    2009-06-01

    The NiSi silicide that forms by reactive diffusion between Ni and Si active regions of nanotransistors is used nowadays as contacts in nanoelectronics because of its low resistivity. Pt is added to the Ni film in order to stabilise the NiSi phase against the formation of the high-resistivity NiSi(2) phase and agglomeration. In situ X-ray diffraction (XRD) experiments performed on material aged at 350 degrees C (under vacuum) showed the complete consumption of the Ni (5 at% Pt) phase, the regression of Ni(2)Si phase as well as the growth of the NiSi phase after 48 min. Pt distribution for this heat treatment has been analysed by laser-assisted tomographic atom probe (LATAP). An enrichment of platinum in the middle of the NiSi phase suggests that Pt is almost immobile during the growth of NiSi at the two interfaces: Ni(2)Si/NiSi and NiSi/Si. In the peak, platinum was found to substitute for Ni in the NiSi phase. Very small amounts of Pt were also found in the Ni(2)Si phase close to the surface and at the NiSi/Si interface. PMID:19339118

  11. A 12-MW-scale pilot study of in-duct scrubbing (IDS) using a rotary atomizer

    Energy Technology Data Exchange (ETDEWEB)

    Samuel, E.A.; Murphy, K.R.; Demian, A.

    1989-11-01

    A low-cost, moderate-removal efficiency, flue gas desulfurization (FGD) technology was selected by the US Department of Energy for pilot demonstration in its Acid Rain Precursor Control Technology Initiative. The process, identified as In-Duct Scrubbing (IDS), applies rotary atomizer techniques developed for lime-based spray dryer FGD while utilizing existing flue gas ductwork and particulate collectors. IDS technology is anticipated to result in a dry desulfurization process with a moderate removal efficiency (50% or greater) for high-sulfur coal-fired boilers. The critical elements for successful application are: (1) adequate mixing of sorbent droplets with flue gas for efficient reaction contact, (2) sufficient residence time to produce a non-wetting product, and (3) appropriate ductwork cross-sectional area to prevent deposition of wet reaction products before particle drying is comple. The ductwork in many older plants, previously modified to meet 1970 Clean Air Act requirements for particulate control, usually meet these criteria. A 12 MW-scale IDS pilot plant was constructed at the Muskingum River Plant of the American Electric Power System. The pilot plant, which operates from a slipstrem attached to the air-preheater outlet duct from the Unit 5 boiler at the Muskingum River Plant (which burns about 4% sulfur coal), is equipped with three atomizer stations to test the IDS concept in vertical and horizontal configurations. In addition, the pilot plant is equipped to test the effect of injecting IDS off- product upstream of the atomizer, on SO{sub 2}and NO{sub x} removals.

  12. Atomic and nano-scale characterization of a 50-year-old hydrated C3S paste

    KAUST Repository

    Geng, Guoqing

    2015-07-15

    This paper investigates the atomic and nano-scale structures of a 50-year-old hydrated alite paste. Imaged by TEM, the outer product C-S-H fibers are composed of particles that are 1.5-2 nm thick and several tens of nanometers long. 29Si NMR shows 47.9% Q1 and 52.1% Q2, with a mean SiO4 tetrahedron chain length (MCL) of 4.18, indicating a limited degree of polymerization after 50 years\\' hydration. A Scanning Transmission X-ray Microscopy (STXM) study was conducted on this late-age paste and a 1.5 year old hydrated C3S solution. Near Edge X-ray Absorption Fine Structure (NEXAFS) at Ca L3,2-edge indicates that Ca2 + in C-S-H is in an irregular symmetric coordination, which agrees more with the atomic structure of tobermorite than that of jennite. At Si K-edge, multi-scattering phenomenon is sensitive to the degree of polymerization, which has the potential to unveil the structure of the SiO44 - tetrahedron chain. © 2015 Elsevier Ltd. All rights reserved.

  13. Atomic Scale Interface Manipulation, Structural Engineering, and Their Impact on Ultrathin Carbon Films in Controlling Wear, Friction, and Corrosion.

    Science.gov (United States)

    Dwivedi, Neeraj; Yeo, Reuben J; Yak, Leonard J K; Satyanarayana, Nalam; Dhand, Chetna; Bhat, Thirumaleshwara N; Zhang, Zheng; Tripathy, Sudhiranjan; Bhatia, Charanjit S

    2016-07-13

    Reducing friction, wear, and corrosion of diverse materials/devices using systems. Here, we present a novel approach based on atomic scale interface manipulation to engineer and control the friction, wear, corrosion, and structural characteristics of 0.7-1.7 nm carbon-based films on CoCrPt:oxide-based magnetic media. We demonstrate that when an atomically thin (∼0.5 nm) chromium nitride (CrNx) layer is sandwiched between the magnetic media and an ultrathin carbon overlayer (1.2 nm), it modifies the film-substrate interface, creates various types of interfacial bonding, increases the interfacial adhesion, and tunes the structure of carbon in terms of its sp(3) bonding. These contribute to its remarkable functional properties, such as stable and lowest coefficient of friction (∼0.15-0.2), highest wear resistance and better corrosion resistance despite being only ∼1.7 nm thick, surpassing those of ∼2.7 nm thick current commercial carbon overcoat (COC) and other overcoats in this work. While this approach has direct implications for advancing current magnetic storage technology with its ultralow thickness, it can also be applied to advance the protective and barrier capabilities of other ultrathin materials for associated technologies. PMID:27267790

  14. The embedded atom model and large-scale MD simulation of tin under shock loading

    International Nuclear Information System (INIS)

    The goal of the work was to develop an interatomic potential, that can be used in large-scale classical MD simulations to predict tin properties near the melting curve, the melting curve itself, and the kinetics of melting and solidification when shock and ramp loading. According to phase diagram, shocked tin melts from bcc phase, and since the main objective was to investigate melting, the EAM was parameterized for bcc phase. The EAM was optimized using isothermal compression data (experimental at T=300 K and ab-initio at T=0 K for bcc, fcc, bct structures), experimental and QMD data on the Hugoniot and on the melting at elevated pressures. The Hugoniostat calculations centred at β-tin at ambient conditions showed that the calculated Hugoniot is in good agreement with experimental and QMD data above p-bct transition pressure. Calculations of overcooled liquid in pressure range corresponding to bcc phase showed crystallization into bcc phase. Since the principal Hugoniot of tin originates from the β-tin that is not described by this EAM the special initial state of bcc samples was constructed to perform large-scale MD simulations of shock loading.

  15. Self-referenced coherent diffraction x-ray movie of Angstrom- and femtosecond-scale atomic motion

    CERN Document Server

    Glownia, J M; Cryan, J P; Hartsock, R; Kozina, M; Minitti, M P; Nelson, S; Robinson, J; Sato, T; van Driel, T; Welch, G; Weninger, C; Zhi, D; Bucksbaum, P H

    2016-01-01

    Time-resolved femtosecond x-ray diffraction patterns from laser-excited molecular iodine are used to create a movie of intramolecular motion with time and space resolution of $30~$fs and $0.3$ \\AA . The high spatial fidelity is due to interference between the moving excitation and the static initial charge distribution. This x-ray interference has not been employed to image internal motion in molecules before. The initial state is used as the local oscillator for heterodyne amplification of the excited charge distribution to retrieve real-space movies of atomic motion on \\AA ngstrom and femtosecond scales. Coherent vibrational motion and dispersion, dissociation, and rotational dephasing are all clearly visible in the data, thereby demonstrating the stunning sensitivity of heterodyne methods.

  16. Thickness scaling of atomic-layer-deposited HfO2 films and their application to wafer-scale graphene tunnelling transistors.

    Science.gov (United States)

    Jeong, Seong-Jun; Gu, Yeahyun; Heo, Jinseong; Yang, Jaehyun; Lee, Chang-Seok; Lee, Min-Hyun; Lee, Yunseong; Kim, Hyoungsub; Park, Seongjun; Hwang, Sungwoo

    2016-01-01

    The downscaling of the capacitance equivalent oxide thickness (CET) of a gate dielectric film with a high dielectric constant, such as atomic layer deposited (ALD) HfO2, is a fundamental challenge in achieving high-performance graphene-based transistors with a low gate leakage current. Here, we assess the application of various surface modification methods on monolayer graphene sheets grown by chemical vapour deposition to obtain a uniform and pinhole-free ALD HfO2 film with a substantially small CET at a wafer scale. The effects of various surface modifications, such as N-methyl-2-pyrrolidone treatment and introduction of sputtered ZnO and e-beam-evaporated Hf seed layers on monolayer graphene, and the subsequent HfO2 film formation under identical ALD process parameters were systematically evaluated. The nucleation layer provided by the Hf seed layer (which transforms to the HfO2 layer during ALD) resulted in the uniform and conformal deposition of the HfO2 film without damaging the graphene, which is suitable for downscaling the CET. After verifying the feasibility of scaling down the HfO2 thickness to achieve a CET of ~1.5 nm from an array of top-gated metal-oxide-graphene field-effect transistors, we fabricated graphene heterojunction tunnelling transistors with a record-low subthreshold swing value of <60 mV/dec on an 8" glass wafer. PMID:26861833

  17. Thickness scaling of atomic-layer-deposited HfO2 films and their application to wafer-scale graphene tunnelling transistors

    Science.gov (United States)

    Jeong, Seong-Jun; Gu, Yeahyun; Heo, Jinseong; Yang, Jaehyun; Lee, Chang-Seok; Lee, Min-Hyun; Lee, Yunseong; Kim, Hyoungsub; Park, Seongjun; Hwang, Sungwoo

    2016-02-01

    The downscaling of the capacitance equivalent oxide thickness (CET) of a gate dielectric film with a high dielectric constant, such as atomic layer deposited (ALD) HfO2, is a fundamental challenge in achieving high-performance graphene-based transistors with a low gate leakage current. Here, we assess the application of various surface modification methods on monolayer graphene sheets grown by chemical vapour deposition to obtain a uniform and pinhole-free ALD HfO2 film with a substantially small CET at a wafer scale. The effects of various surface modifications, such as N-methyl-2-pyrrolidone treatment and introduction of sputtered ZnO and e-beam-evaporated Hf seed layers on monolayer graphene, and the subsequent HfO2 film formation under identical ALD process parameters were systematically evaluated. The nucleation layer provided by the Hf seed layer (which transforms to the HfO2 layer during ALD) resulted in the uniform and conformal deposition of the HfO2 film without damaging the graphene, which is suitable for downscaling the CET. After verifying the feasibility of scaling down the HfO2 thickness to achieve a CET of ~1.5 nm from an array of top-gated metal-oxide-graphene field-effect transistors, we fabricated graphene heterojunction tunnelling transistors with a record-low subthreshold swing value of <60 mV/dec on an 8″ glass wafer.

  18. Atomic scale engineering of HfO2-based dielectrics for future DRAM applications

    International Nuclear Information System (INIS)

    Modern dielectrics in combination with appropriate metal electrodes have a great potential to solve many difficulties associated with continuing miniaturization process in the microelectronic industry. One significant branch of microelectronics incorporates dynamic random access memory (DRAM) market. The DRAM devices scaled for over 35 years starting from 4 kb density to several Gb nowadays. The scaling process led to the dielectric material thickness reduction, resulting in higher leakage current density, and as a consequence higher power consumption. As a possible solution for this problem, alternative dielectric materials with improved electrical and material science parameters were intensively studied by many research groups. The higher dielectric constant allows the use of physically thicker layers with high capacitance but strongly reduced leakage current density. This work focused on deposition and characterization of thin insulating layers. The material engineering process was based on Si cleanroom compatible HfO2 thin films deposited on TiN metal electrodes. A combined materials science and dielectric characterization study showed that Ba-added HfO2 (BaHfO3) films and Ti-added BaHfO3 (BaHf0.5Ti0.5O3) layers are promising candidates for future generation of state-of-the-art DRAMs. In especial a strong increase of the dielectric permittivity k was achieved for thin films of cubic BaHfO3 (k∝38) and BaHf0.5Ti0.5O3 (k∝90) with respect to monoclinic HfO2 (k∝19). Meanwhile the CET values scaled down to 1 nm for BaHfO3 and ∝0.8 nm for BaHf0.5Ti0.5O3 with respect to HfO2 (CET=1.5 nm). The Hf4+ ions substitution in BaHfO3 by Ti4+ ions led to a significant decrease of thermal budget from 900 C for BaHfO3 to 700 C for BaHf0.5Ti0.5O3. Future studies need to focus on the use of appropriate metal electrodes (high work function) and on film deposition process (homogeneity) for better current leakage control. (orig.)

  19. Atomic scale engineering of HfO{sub 2}-based dielectrics for future DRAM applications

    Energy Technology Data Exchange (ETDEWEB)

    Dudek, Piotr

    2011-02-14

    Modern dielectrics in combination with appropriate metal electrodes have a great potential to solve many difficulties associated with continuing miniaturization process in the microelectronic industry. One significant branch of microelectronics incorporates dynamic random access memory (DRAM) market. The DRAM devices scaled for over 35 years starting from 4 kb density to several Gb nowadays. The scaling process led to the dielectric material thickness reduction, resulting in higher leakage current density, and as a consequence higher power consumption. As a possible solution for this problem, alternative dielectric materials with improved electrical and material science parameters were intensively studied by many research groups. The higher dielectric constant allows the use of physically thicker layers with high capacitance but strongly reduced leakage current density. This work focused on deposition and characterization of thin insulating layers. The material engineering process was based on Si cleanroom compatible HfO{sub 2} thin films deposited on TiN metal electrodes. A combined materials science and dielectric characterization study showed that Ba-added HfO{sub 2} (BaHfO{sub 3}) films and Ti-added BaHfO{sub 3} (BaHf{sub 0.5}Ti{sub 0.5}O{sub 3}) layers are promising candidates for future generation of state-of-the-art DRAMs. In especial a strong increase of the dielectric permittivity k was achieved for thin films of cubic BaHfO{sub 3} (k{proportional_to}38) and BaHf{sub 0.5}Ti{sub 0.5}O{sub 3} (k{proportional_to}90) with respect to monoclinic HfO{sub 2} (k{proportional_to}19). Meanwhile the CET values scaled down to 1 nm for BaHfO{sub 3} and {proportional_to}0.8 nm for BaHf{sub 0.5}Ti{sub 0.5}O{sub 3} with respect to HfO{sub 2} (CET=1.5 nm). The Hf{sup 4+} ions substitution in BaHfO{sub 3} by Ti{sup 4+} ions led to a significant decrease of thermal budget from 900 C for BaHfO{sub 3} to 700 C for BaHf{sub 0.5}Ti{sub 0.5}O{sub 3}. Future studies need to focus

  20. Wafer-scale single-domain-like graphene by defect-selective atomic layer deposition of hexagonal ZnO

    Science.gov (United States)

    Park, Kyung Sun; Kim, Sejoon; Kim, Hongbum; Kwon, Deokhyeon; Koo Lee, Yong-Eun; Min, Sung-Wook; Im, Seongil; Choi, Hyoung Joon; Lim, Seulky; Shin, Hyunjung; Koo, Sang Man; Sung, Myung Mo

    2015-10-01

    Large-area graphene films produced by means of chemical vapor deposition (CVD) are polycrystalline and thus contain numerous grain boundaries that can greatly degrade their performance and produce inhomogeneous properties. A better grain boundary engineering in CVD graphene is essential to realize the full potential of graphene in large-scale applications. Here, we report a defect-selective atomic layer deposition (ALD) for stitching grain boundaries of CVD graphene with ZnO so as to increase the connectivity between grains. In the present ALD process, ZnO with a hexagonal wurtzite structure was selectively grown mainly on the defect-rich grain boundaries to produce ZnO-stitched CVD graphene with well-connected grains. For the CVD graphene film after ZnO stitching, the inter-grain mobility is notably improved with only a little change in the free carrier density. We also demonstrate how ZnO-stitched CVD graphene can be successfully integrated into wafer-scale arrays of top-gated field-effect transistors on 4-inch Si and polymer substrates, revealing remarkable device-to-device uniformity.Large-area graphene films produced by means of chemical vapor deposition (CVD) are polycrystalline and thus contain numerous grain boundaries that can greatly degrade their performance and produce inhomogeneous properties. A better grain boundary engineering in CVD graphene is essential to realize the full potential of graphene in large-scale applications. Here, we report a defect-selective atomic layer deposition (ALD) for stitching grain boundaries of CVD graphene with ZnO so as to increase the connectivity between grains. In the present ALD process, ZnO with a hexagonal wurtzite structure was selectively grown mainly on the defect-rich grain boundaries to produce ZnO-stitched CVD graphene with well-connected grains. For the CVD graphene film after ZnO stitching, the inter-grain mobility is notably improved with only a little change in the free carrier density. We also

  1. How Modelling of Crystal Defects at the Atomic Scale can Provide Information on Seismic Anisotropy

    Science.gov (United States)

    Cordier, P.; Carrez, P.; Goryaeva, A.; Gouriet, K.; Hirel, P.; Kraych, A.; Ritterbex, S.

    2014-12-01

    Seismic anisotropy represents one of the few sources of information about flow in the mantle that takes place at timescales that are barely accessible at human timescales. Seismic waves travelling through rocks at the speed of sound can reveal flow lines frozen in rocks over hundreds of million years. The interpretation of seismic anisotropy also needs to bridge length-scales since crystal defects are responsible for the plastic anisotropy that align crystals in a deforming rock thus revealing elastic anisotropy at the macroscopic scale. Knowing the easiest slip systems for a given crystal structure is thus the fundamental information needed. To obtain it we propose the following approach based on multiscale numerical modeling. As a first approach, we calculate generalized stacking faults which inform us about the easiest shear paths imposed by the crystal chemistry. This leads to a short list of potential slip systems for which lattice friction will be calculated. A further selection will be done by modeling the core structures of screw dislocations. The tendency for core spreading of screw dislocations impose a selection on potential glide planes which is further validated by modeling corresponding edge dislocations and their respective mobilities. Finally, we model the mobility of these dislocations under the conjugate influence of stress and temperature using the kink-pair model which is based on the activation enthalpy of the critical configuration which allows a dislocation to glide from one stable position to the next. The output of this model is the so-called critical resolved shear stress which is the onset of plastic glide at a given temperature and strain rate. Comparison between slip systems provides constraints on the plastic anisotropy. Examples are presented among the major phases of the Earth's mantle.

  2. Small-scale properties of atomic gas in extended disks of galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Borthakur, Sanchayeeta; Heckman, Timothy M. [Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States); Momjian, Emmanuel [National Radio Astronomy Observatory, Socorro, NM 87801 (United States); York, Donald G. [Department of Astronomy and Astrophysics, University of Chicago, Chicago, IL 60637 (United States); Bowen, David V. [Princeton University Observatory, Peyton Hall, Ivy Lane, Princeton, NJ 08544 (United States); Yun, Min S.; Tripp, Todd M., E-mail: sanch@pha.jhu.edu [Department of Astronomy, University of Massachusetts, Amherst, MA 01003 (United States)

    2014-11-01

    We present high-resolution H I 21 cm observations with the Karl G. Jansky Very Large Array for three H I rich galaxies in absorption against radio quasars. Our sample contains six sightlines with impact parameters from 2.6 to 32.4 kpc. We detected a narrow H I absorber of FWHM 1.1 km s{sup –1} at 444.5 km s{sup –1} toward SDSS J122106.854+454852.16 probing the dwarf galaxy UCG 7408 at an impact parameter of 2.8 kpc. The absorption feature was barely resolved and its width corresponds to a maximum kinetic temperature, T{sub k} ≈ 26 K. We estimate a limiting peak optical depth of 1.37 and a column density of 6 × 10{sup 19} cm{sup –2}. The physical extent of the absorber is 0.04 kpc{sup 2} and covers ∼25%-30% of the background source. A comparison between the emission and absorption strengths suggests the cold-to-total H I column density in the absorber is ∼30%. Folding in the covering fraction, the cold-to-total H I mass is ∼10%. This suggest that condensation of warm H I (T{sub s} ∼ 1000 K) to cold phase (T{sub s} < 100 K) is suppressed in UGC 7408. The unusually low temperature of the H I absorber also indicates inefficiency in condensation of atomic gas into molecular gas. The suppression in condensation is likely to be the result of low metal content in this galaxy. The same process might explain the low efficiency of star formation in dwarf galaxies despite their huge gas reservoirs. We report the non-detection of H I in absorption in five other sightlines. This indicates that either the cold gas distribution is highly patchy or the gas is much warmer (T{sub s} > 1000 K) toward these sightlines.

  3. Growth of centimeter-scale atomically thin MoS2 films by pulsed laser deposition

    Directory of Open Access Journals (Sweden)

    Gene Siegel

    2015-05-01

    Full Text Available We are reporting the growth of single layer and few-layer MoS2 films on single crystal sapphire substrates using a pulsed-laser deposition technique. A pulsed KrF excimer laser (wavelength: 248 nm; pulse width: 25 ns was used to ablate a polycrystalline MoS2 target. The material thus ablated was deposited on a single crystal sapphire (0001 substrate kept at 700 °C in an ambient vacuum of 10−6 Torr. Detailed characterization of the films was performed using atomic force microscopy (AFM, Raman spectroscopy, UV-Vis spectroscopy, and photoluminescence (PL measurements. The ablation of the MoS2 target by 50 laser pulses (energy density: 1.5 J/cm2 was found to result in the formation of a monolayer of MoS2 as shown by AFM results. In the Raman spectrum, A1g and E12g peaks were observed at 404.6 cm−1 and 384.5 cm−1 with a spacing of 20.1 cm−1, confirming the monolayer thickness of the film. The UV-Vis absorption spectrum exhibited two exciton absorption bands at 672 nm (1.85 eV and 615 nm (2.02 eV, with an energy split of 0.17 eV, which is in excellent agreement with the theoretically predicted value of 0.15 eV. The monolayer MoS2 exhibited a PL peak at 1.85 eV confirming the direct nature of the band-gap. By varying the number of laser pulses, bi-layer, tri-layer, and few-layer MoS2 films were prepared. It was found that as the number of monolayers (n in the MoS2 films increases, the spacing between the A1g and E12g Raman peaks (Δf increases following an empirical relation, Δ f = 26 . 45 − 15 . 42 1 + 1 . 44 n 0 . 9 cm − 1 .

  4. Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

    Energy Technology Data Exchange (ETDEWEB)

    Schurkus, Henry F.; Ochsenfeld, Christian [Chair of Theoretical Chemistry and Center for Integrated Protein Science Munich (CIPSM), Department of Chemistry, University of Munich (LMU), D-81377 Munich (Germany)

    2016-01-21

    An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. .

  5. Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

    International Nuclear Information System (INIS)

    An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. 

  6. In situ atomic scale mechanical microscopy discovering the atomistic mechanisms of plasticity in nano-single crystals and grain rotation in polycrystalline metals

    Energy Technology Data Exchange (ETDEWEB)

    Han, Xiaodong, E-mail: xdhan@bjut.edu.cn [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology (China); Wang, Lihua; Yue, Yonghai [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology (China); Zhang, Ze, E-mail: zezhang@zju.edu.cn [Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology (China); Department of Materials Science, National Key Lab of Silicon Materials, Zhejiang University (China)

    2015-04-15

    In this review, we briefly introduce our in situ atomic-scale mechanical experimental technique (ASMET) for transmission electron microscopy (TEM), which can observe the atomic-scale deformation dynamics of materials. This in situ mechanical testing technique allows the deformation of TEM samples through a simultaneous double-tilt function, making atomic-scale mechanical microscopy feasible. This methodology is generally applicable to thin films, nanowires (NWs), tubes and regular TEM samples to allow investigation of the dynamics of mechanically stressed samples at the atomic scale. We show several examples of this technique applied to Pt and Cu single/polycrystalline specimens. The in situ atomic-scale observation revealed that when the feature size of these materials approaches the nano-scale, they often exhibit “unusual” deformation behaviours compared to their bulk counterparts. For example, in Cu single-crystalline NWs, the elastic–plastic transition is size-dependent. An ultra-large elastic strain of 7.2%, which approaches the theoretical elasticity limit, can be achieved as the diameter of the NWs decreases to ∼6 nm. The crossover plasticity transition from full dislocations to partial dislocations and twins was also discovered as the diameter of the single-crystalline Cu NWs decreased. For Pt nanocrystals (NC), the long-standing uncertainties of atomic-scale plastic deformation mechanisms in NC materials (grain size G less than 15 nm) were clarified. For larger grains with G<∼10 nm, we frequently observed movements and interactions of cross-grain full dislocations. For G between 6 and 10 nm, stacking faults resulting from partial dislocations become more frequent. For G<∼6 nm, the plasticity mechanism transforms from a mode of cross-grain dislocation to a collective grain rotation mechanism. This grain rotation process is mediated by grain boundary (GB) dislocations with the assistance of GB diffusion and shuffling. These in situ atomic-scale

  7. Chiral cavity ring down polarimetry: Chirality and magnetometry measurements using signal reversals

    Energy Technology Data Exchange (ETDEWEB)

    Bougas, Lykourgos; Sofikitis, Dimitris; Katsoprinakis, Georgios E.; Spiliotis, Alexandros K.; Rakitzis, T. Peter, E-mail: ptr@iesl.forth.gr [Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, 71110 Heraklion, Crete (Greece); Department of Physics, University of Crete, 71003 Heraklion, Crete (Greece); Tzallas, Paraskevas; Loppinet, Benoit [Institute of Electronic Structure and Laser, Foundation for Research and Technology-Hellas, 71110 Heraklion, Crete (Greece)

    2015-09-14

    We present the theory and experimental details for chiral-cavity-ring-down polarimetry and magnetometry, based on ring cavities supporting counterpropagating laser beams. The optical-rotation symmetry is broken by the presence of both chiral and Faraday birefringence, giving rise to signal reversals which allow rapid background subtractions. We present the measurement of the specific rotation at 800 nm of vapors of α-pinene, 2-butanol, and α-phellandrene, the measurement of optical rotation of sucrose solutions in a flow cell, the measurement of the Verdet constant of fused silica, and measurements and theoretical treatment of evanescent-wave optical rotation at a prism surface. Therefore, these signal-enhancing and signal-reversing methods open the way for ultrasensitive polarimetry measurements in gases, liquids and solids, and at surfaces.

  8. Exchange coupling in hybrid anisotropy magnetic multilayers quantified by vector magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, C., E-mail: C.Morrison.2@warwick.ac.uk; Miles, J. J.; Thomson, T. [School of Computer Science, University of Manchester, Manchester M13 9PL (United Kingdom); Anh Nguyen, T. N. [Materials Physics, School of ICT, KTH Royal Institute of Technology, Electrum 229, 164 40 Kista (Sweden); Spintronics Research Group, Laboratory for Nanotechnology (LNT), VNU-HCM, Ho Chi Minh City (Viet Nam); Fang, Y.; Dumas, R. K. [Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden); Åkerman, J. [Materials Physics, School of ICT, KTH Royal Institute of Technology, Electrum 229, 164 40 Kista (Sweden); Department of Physics, University of Gothenburg, 412 96 Gothenburg (Sweden)

    2015-05-07

    Hybrid anisotropy thin film heterostructures, where layers with perpendicular and in-plane anisotropy are separated by a thin spacer, are novel materials for zero/low field spin torque oscillators and bit patterned media. Here, we report on magnetization reversal and exchange coupling in a archetypal Co/Pd (perpendicular)-NiFe (in-plane) hybrid anisotropy system studied using vector vibrating sample magnetometry. This technique allows us to quantify the magnetization reversal in each individual magnetic layer, and measure of the interlayer exchange as a function of non-magnetic spacer thickness. At large (>1 nm) spacer thicknesses Ruderman-Kittel-Kasuya-Yosida-like exchange dominates, with orange-peel coupling providing a significant contribution only for sub-nm spacer thickness.

  9. Magnetometry and Ground-Penetrating Radar Studies in the Sihuas Valley, Peru

    Science.gov (United States)

    Wisnicki, E.; Papadimitrios, K.; Bank, C.

    2013-12-01

    The Quillcapampa la Antigua site in Peru's Sihuas Valley is a settlement from Peru's Middle Horizon (600-100 A.D.). Archaeological interest in the area stems from the question of whether ancient civilizations were able to have extensive state control of distant groups, or whether state influence occurred through less direct ties (e.g., marriage, religion, or trade). Our geophysical surveys are preliminary to archaeological digging in the area. Ground-penetrating radar and magnetometry attempt to locate areas of interest for focused archaeological excavation, characterize the design of architectural remains and burial mounds in the area, and allow archaeologists to interpret the amount of influence the Wari civilization had on the local residents.

  10. SQUID magnetometry for the cryoEDM experiment-Tests at LSBB

    International Nuclear Information System (INIS)

    High precision magnetometry is an essential requirement of the cryoEDM experiment at the Institut Laue-Langevin, Grenoble. We have developed a SQUID system for this purpose, however tests done in Oxford have been limited by the noisy electromagnetic environment inside our laboratory, therefore we have tested a smaller version of our prototype system in the very low noise environment at LSBB, Rustrel, France. We have studied the crosstalk between an array of parallel pick-up loops-where the field generated by a current in one loop is detected by the others. We monitored the magnetic field in the LSBB for over twelve hours; and after correcting these data for SQUID resets, and crosstalk, we compare it to the published values from nearby geomagnetic observatories. We have also measured the noise spectrum of our system and studied the effect that heating one of the pick-up loops into its conducting state has on the other, parallel loops.

  11. Nanoscale magnetometry through quantum control of nitrogen-vacancy centres in rotationally diffusing nanodiamonds

    CERN Document Server

    Maclaurin, D; Martin, A M; Hollenberg, L C L

    2012-01-01

    The confluence of quantum physics and biology is driving a new generation of quantum-based sensing and imaging technology capable of harnessing the power of quantum effects to provide tools to understand the fundamental processes of life. One of the most promising systems in this area is the nitrogen-vacancy centre in diamond - a natural spin qubit which remarkably has all the right attributes for nanoscale sensing in ambient biological conditions. Typically the nitrogen-vacancy qubits are fixed in tightly controlled/isolated experimental conditions. In this work quantum control principles of nitrogen-vacancy magnetometry are developed for a randomly diffusing diamond nanocrystal. We find that the accumulation of geometric phases, due to the rotation of the nanodiamond plays a crucial role in the application of a diffusing nanodiamond as a bio-label and magnetometer. Specifically, we show that a freely diffusing nanodiamond can offer real-time information about local magnetic fields and its own rotational beh...

  12. Low dimensional magnetism and nanograined materials - magnetometry, magnetooptics and laser-ultrasound

    International Nuclear Information System (INIS)

    Full text: The working group 'Magnetometry and Photonics' headed by H. Krenn has directed its research focus on magnetic phenomena and properties of nanoscaled materials which are random or self assembled (principal investigators: K. Rumpf and P. Granitzer). Another activity is concerned with optoacoustics investigating the propagation and damping of ultrasound waves in non-magnetic (severely deformed) as well as bulk-nanostructured magnetic materials (principal investigators: G. Paltauf and V. Kozhusko). The gap between self assembled (1-dim) and randomly dense (bulk 3-dim) nanomagnets is bridged by preparation of ferrite-(0-dim) nanoparticles (PhD: K. Nadeem) dispersed in a SiO2 or polymer matrix. As a template for magnetic nanowires and nanodots porous silicon is prepared by electrochemical methods. Remarkable magnetic effects beyond conventional spin-magnetism are experimentally observed by SQUID-magnetometry at high magnetic fields (7 T) and by spectroscopic magnetooptics from the infrared to VIS. The main purposes and aims of this hybrid system are experimental efforts to detect the spin injection and electronic transport from a ferromagnetic metal into silicon, and the possible development of direction dependent magnetic-field-sensors due to the strong magnetic anisotropy of the nanocomposite at high magnetic fields (> 2 T). By co-precipitation and sol-gel methods (Ni,Co)Fe2O4 superparamagnetic ferrite nanoparticles (d < 20 nm) are produced. Both systems have a potential for drug delivery using magnetic carriers, but also for magnetic targeting of tumors where the former Si-based system is promising because of the biodegradability and biocompatibility of porous silicon. On the other hand steel samples offer nanoscopic grain refinement under severe plastic deformation and highly deformed magnetic materials show a softening of the magnetization, reflected in modified Barkhausen noise spectrum and ultrasound (magnetoacoustic) phenomena. Electric tunability of

  13. Statistical magnetometry on isolated NiCo nanowires and nanowire arrays: a comparative study

    Science.gov (United States)

    Sergelius, Philip; Garcia Fernandez, Javier; Martens, Stefan; Zocher, Michael; Böhnert, Tim; Vega Martinez, Victor; de la Prida, Victor Manuel; Görlitz, Detlef; Nielsch, Kornelius

    2016-04-01

    The first-order reversal curve (FORC) method can be used to extract information about the interaction and switching field distribution of ferromagnetic nanowire arrays, yet it remains challenging to acquire reliable values. Within ordered pores of anodic alumina templates we electrochemically synthesize eight different Ni x Co1-x samples with x varying between 0.05 and 1. FORC diagrams are acquired using vibrating sample magnetometry. By dissolving the template and using the magneto-optical Kerr effect, we measure the hysteresis loops of up to 100 different and isolated nanowires for each sample to gain precise information about the intrinsic switching field distribution. Values of the interaction field are extracted from a deshearing of the major hysteresis loop. We present a comparative study between all methods in order to evaluate and reinforce current FORC theory with experimental findings.

  14. Atomic scale study of phase transformation in long term thermally aged duplex stainless steels: relation between microstructure and properties

    International Nuclear Information System (INIS)

    In this paper, the ferrite of thermally aged CF3M duplex stainless steels is studied at the atomic scale. Accelerated ageing was performed at 350 C. Ingots of CF3M steel were aged in laboratory at 350 C up to 200 000 h (> 20 years). Spatial and chemical evolution of the microstructure of ferrite, characterised by 3D atom probe and micro-hardness values were compared to microstructural and mechanical characteristics of ferrite of the same ingots aged at 325 C (service temperature) and to ferrite of actual steel aged on site. This work has shown that: -) Accelerating the ageing at 350 C anticipates the on-site ageing at 323 C; -) The linear relation between micro-hardness and variation V is still valid after 200.000 h of ageing at 350 C (this corresponds to an equivalent ageing time of 190 years at 323 C); -) Activation energy is the same for both spinodal decomposition and G-phase precipitation: a value of 243 kJ/mol has been obtained; -) Time evolution of the wave length of the α/α' decomposition still follows a law proportional to t0.16 after 200.000 h of ageing (no increase of the effective time exponent is observed); -) After 30.000 h of ageing, coarsening of G-phase particles starts, the equilibrium volume fraction of G-phase is estimated to 8.5% and no modification of the time evolution of the radius of precipitates is observed; -) G-phase particles have no direct influence on the evolution of the ferrite micro-hardness. This does not exclude indirect effect due to synergetic precipitation of G-phase which leads to the decrease of the amount of Ni in ferrite matrix. Later could slower kinetics and then explain the absence of increase in the time exponent. (authors)

  15. Sub-picotesla Scalar Atomic Magnetometer with a Microfabricated Vapor Cell

    Science.gov (United States)

    Zhang, Rui; Mhaskar, Rahul

    2016-05-01

    We explore the sensitivity limits of scalar atomic magnetometry with a micro-fabricated Cs vapor cell. The millimeter-scale cell is fabricated using silicon Micro-Electro-Mechanical Systems (MEMS) technology. The atomic spin procession is driven by an amplitude-modulated circularly polarized pump laser resonant with the D1 transition in Cs atoms. The precession is detected by an off-resonant linearly polarized probe laser using a balanced polarimeter setup. The probe light is spatially split into two beams to perform a gradiometer measurement. In a magnetic field of magnitude within the range of the earth magnetic field, we measure a sensitivity of less than 150 fT/ √Hz in the gradiometer mode, which shows that the magnetometer by itself can achieve sub-100 fT/ √Hz sensitivitiy. In addition to its high sensitivity, the magnetometer has a bandwidth of nearly 1 kHz due to the broad magnetic resonance inside the small cell. Our experiment suggests the feasibility of a portable, low-power and high-performance magnetometer, which can be operated in the earth's magnetic field. Such a device will greatly expand the range of applications for atomic magnetometers, such as the detection of nuclear magnetic resonance in an unshielded environment.

  16. What dislocation modelling at the atomic scale tell us about the strength of MgSiO3 perovskite

    Science.gov (United States)

    Kraych, A.

    2015-12-01

    Heat transfer through the mantle is carried by convection, which involves plastic flow of the mantle constituents. The plasticity of (Mg,Fe,Al)(Si,Al)O3 Bridgmanite, the main constituent of the lower mantle, is therefore crucial to understand the Earth's dynamics. Its deformation occurs at extreme pressure and temperature conditons (from 30 to 140 GPa, 2000 to 3000 K) and very low strain rate (from 10-12 to 10-16 s-1), the latter being impossible to reach experimentally. Here we calculate the strength of MgSiO3 perovskite (Mg-Pv), by modelling [100] and [010] dislocations at the atomic scale with molecular statics calculation. To assess the mobility of these dislocations under the conjugate action of stress and temperature, we describe their behaviour into a kink-pair model. We develop therefore a velocity model informed by atomistic calculations, taking into account P, T, stress and deformation strain-rate. We show that our model is consistent with deformation experiments on perovskite (see figure), and can also be used to calculate the strength of Mg-Pv induced by dislocation creep at natural strain rate relevant to the mantle.

  17. Low viscosity and high attenuation in MgSiO3 post-perovskite inferred from atomic-scale calculations

    Science.gov (United States)

    Goryaeva, Alexandra M.; Carrez, Philippe; Cordier, Patrick

    2016-10-01

    This work represents a numerical study of the thermal activation for dislocation glide of the [100](010) slip system in MgSiO3 post-perovskite (Mg-ppv) at 120 GPa. We propose an approach based on a one-dimensional line tension model in conjunction with atomic-scale calculations. In this model, the key parameters, namely, the line tension and the Peierls barrier, are obtained from density functional theory calculations. We find a Peierls stress σp = 2.1 GPa and a line tension Γ = 9.2 eV/Å, which lead to a kink-pair enthalpy (under zero stress) of 2.69 eV. These values confirm that this slip system bears a very low lattice friction because it vanishes for temperatures above approximately 500 K under mantle conditions. In the Earth’s mantle, high-pressure Mg-ppv silicate is thus expected to become as ductile as ferropericlase. These results confirm the hypothesis of a weak layer in the D″ layer where Mg-ppv is present. Easy glide along [100](010) suggests strong preferred orientations with (010) planes aligned. Highly mobile [100] dislocations are also likely to respond to stresses related to seismic waves, leading to energy dissipation and strong attenuation.

  18. Wafer-scale, conformal and direct growth of MoS2 thin films by atomic layer deposition

    Science.gov (United States)

    Jang, Yujin; Yeo, Seungmin; Lee, Han-Bo-Ram; Kim, Hyungjun; Kim, Soo-Hyun

    2016-03-01

    Molybdenum disulfide (MoS2) thin films were grown directly on SiO2 covered wafers by atomic layer deposition (ALD) at the deposition temperatures ranging from 175 to 225 °C using molybdenum hexacarbonyl [Mo(CO)6] and H2S plasma as the precursor and reactant, respectively. Self-limited film growth on the thermally-grown SiO2 substrate was observed with both the precursor and reactant pulsing time. The growth rate was ∼0.05 nm/cycle and a short incubation cycle of around 13 was observed at a deposition temperature of 175 °C. The MoS2 films formed nanocrystalline microstructure with a hexagonal crystal system (2H-MoS2), which was confirmed by X-ray diffraction and transmission electron microscopy. Single crystal MoS2 nanosheets, ∼20 nm in size, were fabricated by controlling the number of ALD cycles. The ALD-MoS2 thin films exhibited good stoichiometry with negligible C impurities, approximately 0.1 at.% from Rutherford backscattering spectrometry (RBS). X-ray photoelectron spectroscopy confirmed the formation of chemical bonding from MoS2. The step coverage of ALD-MoS2 was approximately 75% at a 100 nm sized trench. Overall, the ALD-MoS2 process made uniform deposition possible on the wafer-scale (4 in. in diameter).

  19. Phase Transitions and Atomic-Scale Migration During the Preoxidation of a Titania/Ferrous Oxide Solution

    Science.gov (United States)

    Wang, Zhen-Yang; Zhang, Jian-Liang; Xing, Xiang-Dong; Liu, Zheng-Jian; Zhang, Ya-Peng; Liu, Xing-Le; Liu, Yi-Ran

    2016-02-01

    The non-isothermal preoxidation of the titania/ferrous oxide solution (TFOS) was investigated between 300°C and 1200°C. To explore the TFOS preoxidation mechanism, the phase transitions, crystal structure behavior, subreactions, and atomic-scale migration and enrichment of the TFOS during preoxidation were studied. Two different titanium and iron solutions were distinguished by scanning electron microscopy analysis. The phase transitions from titanomagnetite (TTM) to titanohematite to pseudobrookite (PSB) were indicated by the separation and enrichment of Ti and Fe, which migrated into PSB and hematite, respectively. This occurred alongside the generation and destruction of FeTiO3. Multiple local maxima and shoulders were observed in the double-derivative thermogravimetric curves during the preoxidation process, indicating the existence and initial reaction temperatures of five stages of subreactions. Compared with the theoretical mass gain (3.28 wt.%), only 80.8 at.% of the Fe2+ was oxidized to Fe3+, leaving unoxidized TTM in the solid solution during non-isothermal oxidation at 1200°C. The concentration of Ti gradually increased in the lamellar structures. However, Fe, Al, and O were mostly restricted to the homogeneous regions. The segregation of Mg only became obvious when TFOS was oxidized at high temperatures. The enrichment reduced the impact of Ti when O migrated during the reduction process, thus, enhancing the reducibility of the TFOS after preoxidation.

  20. The Atomic to Molecular Transition and its Relation to the Scaling Properties of Galaxy Disks in the Local Universe

    CERN Document Server

    Fu, Jian; Kauffmann, Guinevere; Krumholz, Mark R

    2010-01-01

    We extend existing semi-analytic models of galaxy formation to track atomic and molecular gas in disk galaxies. Simple recipes for processes such as cooling, star formation, supernova feedback, and chemical enrichment of the stars and gas are grafted on to dark matter halo merger trees derived from the Millennium Simulation. Each galactic disk is represented by a series of concentric rings. We assume that surface density profile of infalling gas in a dark matter halo is exponential, with scale radius r_d that is proportional to the virial radius of the halo times its spin parameter $\\lambda$. As the dark matter haloes grow through mergers and accretion, disk galaxies assemble from the inside out. We include two simple prescriptions for molecular gas formation processes in our models: one is based on the analytic calculations by Krumholz, McKee & Tumlinson (2008), and the other is a prescription where the H_2 fraction is determined by the kinematic pressure of the ISM. Motivated by the observational result...

  1. Nanomechanics analysis of perfect and defected graphene sheets via a novel atomic-scale finite element method

    Science.gov (United States)

    Malakouti, M.; Montazeri, A.

    2016-06-01

    Due to their accuracy and reliability, atomistic-based methods such as molecular dynamics (MD) simulations have played an essential role in the field of predictive modeling of single layered graphene sheets (SLGSs) at the nanoscale. However, their applications are limited due to the computational costs. Additionally, consistent with the discrete nature of SLGSs, conventional continuum-based methods cannot be utilized to study the mechanical characteristics of these nanostructures. To overcome these issues, a new Atomic-scale Finite Element Method (AFEM) based on the Tersoff-Brenner potential has been developed in this study. Efficiency of the proposed method is demonstrated employing several numerical examples and its applicability is carefully testified in the case of perfect and defected SLGSs. To facilitate a better comparison, the mechanical behavior obtained by this method is compared with the one determined via MD simulation in various case studies. The results reveal that the proposed method has the accuracy of MD simulations and the speed of continuum-based approaches, simultaneously.

  2. Effects of rock wool on the lungs evaluated by magnetometry and biopersistence test

    Directory of Open Access Journals (Sweden)

    Tomita Masayuki

    2009-03-01

    Full Text Available Abstract Background Asbestos has been reported to cause pulmonary fibrosis, and its use has been banned all over the world. The related industries are facing an urgent need to develop a safer fibrous substance. Rock wool (RW, a kind of asbestos substitute, is widely used in the construction industry. In order to evaluate the safety of RW, we performed a nose-only inhalation exposure study in rats. After one-month observation period, the potential of RW fibers to cause pulmonary toxicity was evaluated based on lung magnetometry findings, pulmonary biopersistence, and pneumopathology. Methods Using the nose-only inhalation exposure system, 6 male Fischer 344 rats (6 to 10 weeks old were exposed to RW fibers at a target fiber concentration of 100 fibers/cm3 (length [L] > 20 μm for 6 hours daily, for 5 consecutive days. As a magnetometric indicator, 3 mg of triiron tetraoxide suspended in 0.2 mL of physiological saline was intratracheally administered after RW exposure to these rats and 6 unexposed rats (controls. During one second magnetization in 50 mT external magnetic field, all magnetic particles were aligned, and immediately afterwards the strength of their remanent magnetic field in the rat lungs was measured in both groups. Magnetization and measurement of the decay (relaxation of this remanent magnetic field was performed over 40 minutes on 1, 3, 14, and 28 days after RW exposure, and reflected cytoskeleton dependent intracellular transport within macrophages in the lung. Similarly, 24 and 12 male Fisher 344-rats were used for biopersistence test and pathologic evaluation, respectively. Results In the lung magnetometric evaluation, biopersistence test and pathological evaluation, the arithmetic mean value of the total fiber concentration was 650.2, 344.7 and 390.7 fibers/cm3, respectively, and 156.6, 93.1 and 95.0 fibers/cm3 for fibers with L > 20 μm, respectively. The lung magnetometric evaluation revealed that impaired relaxation

  3. Towards high-energy and durable lithium-ion batteries via atomic layer deposition: elegantly atomic-scale material design and surface modification

    International Nuclear Information System (INIS)

    Targeted at fueling future transportation and sustaining smart grids, lithium-ion batteries (LIBs) are undergoing intensive investigation for improved durability and energy density. Atomic layer deposition (ALD), enabling uniform and conformal nanofilms, has recently made possible many new advances for superior LIBs. The progress was summarized by Liu and Sun in their latest review [1], offering many insightful views, covering the design of nanostructured battery components (i.e., electrodes and solid electrolytes), and nanoscale modification of electrode/electrolyte interfaces. This work well informs peers of interesting research conducted and it will also further help boost the applications of ALD in next-generation LIBs and other advanced battery technologies. (viewpoint)

  4. Molecular Order in Buried Layers of TbPc2 Single-Molecule Magnets Detected by Torque Magnetometry.

    Science.gov (United States)

    Perfetti, Mauro; Serri, Michele; Poggini, Lorenzo; Mannini, Matteo; Rovai, Donella; Sainctavit, Philippe; Heutz, Sandrine; Sessoli, Roberta

    2016-08-01

    Cantilever torque magnetometry is used to elucidate the orientation of magnetic molecules in thin films. The technique allows depth-resolved investigations by intercalating a layer of anisotropic magnetic molecules in a film of its isotropic analogues. The proof-of-concept is here demonstrated with the single-molecule magnet TbPc2 evidencing also an exceptional long-range templating effect on substrates coated by the organic molecule perylene-3,4,9,10-tetracarboxylic dianhydride. PMID:27232580

  5. Volumetric localization of somatosensory cortex in children using synthetic aperture magnetometry

    International Nuclear Information System (INIS)

    Magnetic signal from the human brain can be measured noninvasively by using magnetoencephalography (MEG). This study was designed to localize and reconstruct the neuromagnetic activity in the somatosensory cortex in children Twenty children were studied using a 151-channel MEG system with electrical stimulation applied to median nerves. Data were analyzed using synthetic aperture magnetometry (SAM). A clear deflection (M1) was clearly identified in 18 children (90%, 18/20). Two frequency bands, 30-60 Hz and 60-120 Hz, were found to be related to somatosensory cortex. Magnetic activity was localized in the posterior bank of the central sulcus in 16 children. The extent of the reconstructed neuromagnetic activity of the left hemisphere was significantly larger than that of the right hemisphere (P<0.01). Somatosensory cortex was accurately localized by using SAM. The extent of the reconstructed neuromagnetic activity suggested that the left hemisphere was the dominant side in the somatosensory system in children. We postulate that the volumetric characteristics of the reconstructed neuromagnetic activity are able to indicate the functionality of the brain. (orig.)

  6. Volumetric localization of epileptic activities in tuberous sclerosis using synthetic aperture magnetometry

    International Nuclear Information System (INIS)

    Magnetoencephalography (MEG) is a novel noninvasive technique for localizing epileptic zones. Tuberous sclerosis complex (TSC) is often associated with medically refractory epilepsy with multiple epileptic zones. Surgical treatment of TSC requires accurate localization of epileptogenic tubers. The objective of this study was to introduce a new MEG technique, synthetic aperture magnetometry (SAM), to volumetrically localize irritable zones and clarify the correlations between SAM, dipole modeling and anatomical tubers. Eight pediatric patients with TSC confirmed by clinical and neuroimaging findings were retrospectively studied. MEG data were recorded using a whole-cortex CTF OMEGA system. Sleep deprivation was employed to provoke epileptiform activity. Irritable zones were localized using both dipole modeling and SAM. MRI detected 42 tubers in the eight patients. Dipole modeling localized 28 irritable zones, and 19 out of the 28 zones were near tubers (19/42, 45%). SAM found 51 irritable zones, and 31 out of the 51 zones were near tubers (31/42, 74%). Among the 51 irritable zones determined by SAM, thirty-five zones were in 1-35 Hz, nine zones were in 35-60 Hz, and seven zones were in 60-120 Hz. The new method, SAM, yielded very plausible equivalent sources for patients who showed anatomical tubers on MRI. Compared to conventional dipole modeling, SAM appeared to offer increased detection of irritable zones and beneficial volumetric and frequency descriptions. (orig.)

  7. Volumetric localization of somatosensory cortex in children using synthetic aperture magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Jing [Department of Diagnostic Imaging, The Hospital for Sick Children, 555 University Avenue, Toronto, ON (Canada); Research Institute, Hospital for Sick Children, 555 University Avenue, Toronto, ON (Canada); Holowka, Stephanie; Chuang, Sylvester [Department of Diagnostic Imaging, The Hospital for Sick Children, 555 University Avenue, Toronto, ON (Canada); Sharma, Rohit; Hunjan, Amrita; Otsubo, Hiroshi [Department of Neurology, Hospital for Sick Children, 555 University Avenue, Toronto, ON (Canada)

    2003-05-01

    Magnetic signal from the human brain can be measured noninvasively by using magnetoencephalography (MEG). This study was designed to localize and reconstruct the neuromagnetic activity in the somatosensory cortex in children Twenty children were studied using a 151-channel MEG system with electrical stimulation applied to median nerves. Data were analyzed using synthetic aperture magnetometry (SAM). A clear deflection (M1) was clearly identified in 18 children (90%, 18/20). Two frequency bands, 30-60 Hz and 60-120 Hz, were found to be related to somatosensory cortex. Magnetic activity was localized in the posterior bank of the central sulcus in 16 children. The extent of the reconstructed neuromagnetic activity of the left hemisphere was significantly larger than that of the right hemisphere (P<0.01). Somatosensory cortex was accurately localized by using SAM. The extent of the reconstructed neuromagnetic activity suggested that the left hemisphere was the dominant side in the somatosensory system in children. We postulate that the volumetric characteristics of the reconstructed neuromagnetic activity are able to indicate the functionality of the brain. (orig.)

  8. Towards an understanding of microstructure of patterned FePt dots by magnetometry using pulse fields

    International Nuclear Information System (INIS)

    FePt nanodot arrays are patterned and investigated by X-ray magnetic circular dichroism measurements and magneto-optic Kerr effect magnetometry combined with pulse magnetic fields. The experimental results on varied timescale of the applied field are analyzed by Sharrock's formula, showing the emergence of hard and soft magnetic FePt grains with distinct perpendicular anisotropy. While the hard grains in L10-phase can construct the FePt dots with intrinsic perpendicular anisotropy fields around 90 kOe, the exchange coupling between the hard and soft grains in other dots degrades the dot perpendicular coercivity and widens the array switching field distribution, in both the 100 and 30 nm dot arrays. The dot size dependence of the proportion of the hard dot in the array demonstrates that the soft grains originate from the FePt grains of L10-phase with large c-axis misaligning and of fcc phase inside the dots, and the ion etching effects are insignificant. - Highlights: • Patterned FePt dot arrays are studied by XMCD and MOKE with pulse fields. • Results on varied timescale of the applied field indicate the dot microstructure. • Hard magnetic grains are in the L10-phase with perpendicular cell c-axis. • Hard magnetic dots with PMA fields around 90 kOe are found in the 100 and 30 nm dots. • Exchange coupling between the hard and soft grains degrades the soft dot coercivity

  9. Multi-terminal multi-junction dc SQUID for nanoscale magnetometry

    Science.gov (United States)

    Meltzer, Alexander Y.; Uri, Aviram; Zeldov, Eli

    2016-11-01

    Miniaturization of superconducting quantum interference devices (SQUIDs) is of major importance for the development of sensitive scanning nanoscale magnetometry tools. The high sensitivity of nanoSQUIDs is restricted, however, to only particular periodic values of the applied magnetic field, making accurate measurements at intermediate values of the field impossible. We present a theoretical investigation of a multi-terminal, multi-junction SQUID (mSQUID) that lifts this limitation by providing electrical means for a continuous shift of the quantum interference pattern with respect to the applied field. Analysis of 4-terminal, 4-junction and 3-terminal, 3-junction mSQUIDs shows that operation at maximum sensitivity can be obtained at any value of the magnetic field by applying control current to the extra terminals. The model describes the variation and the shift of the interference pattern as a function of the control currents, junction asymmetries, and the mSQUID inductance. The mSQUID is also shown to provide a direct measurement of the current-phase relations of superconducting junctions. The derived model provides a quantitative description of the recently developed multi-terminal nanoSQUID-on-tip.

  10. Volumetric localization of epileptic activities in tuberous sclerosis using synthetic aperture magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Zheng [Hospital for Sick Children, Research Institute, Toronto (Canada); Hospital for Sick Children, Department of Diagnostic Imaging, Toronto (Canada); Xiang, Jing [Hospital for Sick Children, Research Institute, Toronto (Canada); Hospital for Sick Children, Department of Diagnostic Imaging, Toronto (Canada); Holowka, Stephanie; Chuang, Sylvester [Hospital for Sick Children, Department of Diagnostic Imaging, Toronto (Canada); Hunjan, Amrita; Sharma, Rohit; Otsubo, Hiroshi [Hospital for Sick Children, Division of Neurology, Toronto (Canada)

    2006-01-01

    Magnetoencephalography (MEG) is a novel noninvasive technique for localizing epileptic zones. Tuberous sclerosis complex (TSC) is often associated with medically refractory epilepsy with multiple epileptic zones. Surgical treatment of TSC requires accurate localization of epileptogenic tubers. The objective of this study was to introduce a new MEG technique, synthetic aperture magnetometry (SAM), to volumetrically localize irritable zones and clarify the correlations between SAM, dipole modeling and anatomical tubers. Eight pediatric patients with TSC confirmed by clinical and neuroimaging findings were retrospectively studied. MEG data were recorded using a whole-cortex CTF OMEGA system. Sleep deprivation was employed to provoke epileptiform activity. Irritable zones were localized using both dipole modeling and SAM. MRI detected 42 tubers in the eight patients. Dipole modeling localized 28 irritable zones, and 19 out of the 28 zones were near tubers (19/42, 45%). SAM found 51 irritable zones, and 31 out of the 51 zones were near tubers (31/42, 74%). Among the 51 irritable zones determined by SAM, thirty-five zones were in 1-35 Hz, nine zones were in 35-60 Hz, and seven zones were in 60-120 Hz. The new method, SAM, yielded very plausible equivalent sources for patients who showed anatomical tubers on MRI. Compared to conventional dipole modeling, SAM appeared to offer increased detection of irritable zones and beneficial volumetric and frequency descriptions. (orig.)

  11. Laterally patterned spin-valve superlattice: Magnetometry and polarized neutron scattering study

    Energy Technology Data Exchange (ETDEWEB)

    Brüssing, F.; Devishvili, A.; Zabel, H. [Department of Physics, Ruhr-University Bochum, 44780 Bochum (Germany); Toperverg, B. P. [Department of Physics, Ruhr-University Bochum, 44780 Bochum (Germany); Theory Division, Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation); Badini Confalonieri, G. A. [Department of Physics, Ruhr-University Bochum, 44780 Bochum (Germany); Instituto de Ciencia de Materiales, E-28049 CSIC Madrid (Spain); Theis-Bröhl, K. [University of Applied Science, An der Karlstadt 8, 27568 Bremerhaven (Germany)

    2015-04-07

    The magnetization reversal of magnetic multilayers with spin-valve like characteristics, patterned into an array of parallel stripes, was structurally and magnetically analyzed, in detail, via x-ray scattering, magnetometry, and polarized neutron reflectivity. Each stripe contains a multiple repetition of the layer sequence [Fe/Cr/Co/Cr]. X-ray and neutron scattering maps of the patterned multilayer show rich details resulting from the superposition of Bragg peaks representing the lateral in-plane periodicity and the out-of-plane multilayer period. Detailed analysis of specular and off-specular polarized neutron intensity was used to ascertain the antiparallel alignment of the Co and Fe magnetization within the kink region of their combined hysteresis loop between the coercive fields of Fe and Co layers. This includes also an examination of domain formation and inter- as well as intra-stripe correlation effects upon magnetization reversal. Our combined study shows that the shape induced anisotropy via patterning is capable of overriding the four-fold crystal anisotropy but is unable to eliminate the ripple domain state of the Co layers, already present in the continuous multilayer.

  12. 2nd International Symposium "Atomic Cluster Collisions : Structure and Dynamics from the Nuclear to the Biological Scale"

    CERN Document Server

    Solov'yov, Andrey; ISACC 2007; Latest advances in atomic cluster collisions

    2008-01-01

    This book presents a 'snapshot' of the most recent and significant advances in the field of cluster physics. It is a comprehensive review based on contributions by the participants of the 2nd International Symposium on Atomic Cluster Collisions (ISACC 2007) held in July 19-23, 2007 at GSI, Darmstadt, Germany. The purpose of the Symposium is to promote the growth and exchange of scientific information on the structure and properties of nuclear, atomic, molecular, biological and complex cluster systems studied by means of photonic, electronic, heavy particle and atomic collisions. Particular attention is devoted to dynamic phenomena, many-body effects taking place in cluster systems of a different nature - these include problems of fusion and fission, fragmentation, collective electron excitations, phase transitions, etc.Both the experimental and theoretical aspects of cluster physics, uniquely placed between nuclear physics on the one hand and atomic, molecular and solid state physics on the other, are discuss...

  13. Inversion boundary induced grain growth in ZnO ceramics: from atomic-scale investigations to microstructural engineering

    International Nuclear Information System (INIS)

    In semiconducting materials special boundaries play the key role in crystal growth. They introduce an abrupt structural and chemical anisotropy, which is readily reflected in an unusual microstructure evolution, whereas their local structure affects the physical properties of semiconducting materials. These effects, however, can be exploited to tailor the electronic and optical properties of the materials, as demonstrated in this review. The presented topic fits in the field of preparatory stage of phase transformations, manifested through evolution of chemically induced structural faults. In the noncentrosymmetric structure of ZnO, inversion boundaries (IBs) are the most common type of planar faults that can be triggered by the addition of specific spinel-forming dopants (Sb2O3, SnO2, TiO2). In addition to conventional HRTEM techniques several new methods were developed to resolve crystallography and atomic-scale chemistry of IBs. The absolute orientation of the polar c-axes on both sides of the IB was determined by a novel quantitative microdiffraction method, providing a reliable identification of crystal polarity in noncentrosymmetric crystals. To determine sub-monolayer quantities of dopants on the IB, we developed a special technique of analytical electron microscopy using concentric electron probe (CEP) in EDS or EELS mode, providing more accurate and precise results than any other available technique. Knowing the local crystal chemistry of IBs we were able to design experiments to identify their formation mechanism. IBs nucleate in the early stage of grain growth as a dopant-rich topotaxial 2D reaction product on Zn-terminated surfaces of ZnO grains. Soon after their nucleation, ZnO is epitaxially grown on the inherent 2D phase in an inverted orientation, which effectively starts to dictate anisotropic growth of the infected crystallite. In very short time the grains with IBs dominate the entire microstructure in ZnO ceramics via IB-induced exaggerated

  14. Collisions of electrons with hydrogen atoms II. Low-energy program using the method of the exterior complex scaling

    Science.gov (United States)

    Benda, Jakub; Houfek, Karel

    2014-11-01

    While collisions of electrons with hydrogen atoms pose a well studied and in some sense closed problem, there is still no free computer code ready for “production use”, that would enable applied researchers to generate necessary data for arbitrary impact energies and scattering transitions directly if absent in on-line scattering databases. This is the second article on the Hex program package, which describes a new computer code that is, with a little setup, capable of solving the scattering equations for energies ranging from a fraction of the ionization threshold to approximately 100 eV or more, depending on the available computational resources. The program implements the exterior complex scaling method in the B-spline basis. Catalogue identifier: AETI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AETI_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 44 440 No. of bytes in distributed program, including test data, etc.: 322 643 Distribution format: tar.gz Programming language: C++11. Computer: Any. Operating system: Any system with a C++11 compiler (e.g. GCC 4.8.1; tested on OpenSUSE 13.1 and Windows 8). Has the code been vectorized or parallelized?: Parallelized by OpenMP and MPI. RAM: Depending on input; 4.9 GiB for the test run. Classification: 2.4. External routines: GSL [1], HDF5 [2], UMFPACK [3], FFTW3 [4], optionally with OpenBLAS [5]. Nature of problem: Solution of the two-particle Schrödinger equation in central field. Solution method: The two-electron states are expanded into angular momentum eigenstates, which gives rise to the coupled bi-radial equations. The bi-radially dependent solution is then represented in a B-spline basis, which transforms the set of equations into a large matrix equation in this basis. The boundary condition

  15. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    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...

  16. Selective detection of magnetic nanoparticles in biomedical applications using differential magnetometry

    International Nuclear Information System (INIS)

    The present study describes a new concept of magnetic detection that can be used for fast, selective measurements on magnetic nanoparticles and which is not influenced by the presence of materials with a linear magnetic susceptibility, like tissue. Using an alternating excitation field (f∼5kHz) with a sequence of static offset fields, the magnetometer is selectively sensitive for the nonlinear properties of magnetic nanoparticles in samples. The offset field sequence modulates the measured inductive response of nonlinear magnetic materials, in contrast to linear magnetic materials. We demonstrate a detection limit for superparamagnetic iron oxide nanoparticles in the sub-microgram (iron) range. The mass sensitivity of the procedure increases with offset field amplitude and particle size. Compared to the sensitivity for particles in suspension, the sensitivity reduces for particles accumulated in lymph node tissue or immobilized by drying, which is attributed to a change in Brownian relaxation. The differential magnetometry concept is used as a tool to perform non-destructive analysis of magnetic nanoparticles in clinically relevant tissue samples at room temperature. In addition, the differential magnetometer can be used for fundamental quantitative research of the performance of magnetic nanoparticles in alternating fields. The method is a promising approach for in vivo measurements during clinical interventions, since it suppresses the linear contribution of the surrounding body volume and effectively picks out the nonlinear contribution of magnetic tracer. - Highlights: • Simple method for the analysis of magnetic nanoparticle content in biomedical samples. • Offset field sequence modulates nonlinear magnetization on AC excitation. • Contribution of linear magnetic surrounding media or tissue is eliminated. • Magnetic nanoparticles selectively detected with a high sensitivity (<1μg iron). • Tool for characterization of MNP performance in alternating

  17. Study for the Effect of Continuously Applied Load on a Compressed Ag Nanoparticle at Room Temperature by Atomic Scale Simulations

    Science.gov (United States)

    Zhang, Lin

    2016-05-01

    Molecular dynamics calculations are reported for structural transition of a compressed Ag nanoparticle containing 2123 atoms with a crystal structure during the processes of continuously applied load at room temperature. Analytical tools are used to demonstrate the effect of the load on the packing patterns in this deformed particle including internal energy per atom, pair distribution functions, coordination number, pair number as well as the cross-sectional images, and mean square displacements. The simulation results show that the deformation processes of this particle include different stages. Owing to the atom sliding in the (111) plane in different regions of this particle, some interfaces are formed between these regions, and they are barriers of atom movements. With increasing the load, the interfaces in the middle of this particle are disappeared, and the deformation is able to carry out. At larger load, new interfaces are formed in the different regions of this heavily compressed particle with several atom layers, and these interfaces again become obstacles for the further deformation.

  18. Precise atomic-scale investigations of material sputtering process by light gas ions in pre-threshold energy region

    CERN Document Server

    Suvorov, A L

    2002-01-01

    Foundation and prospects of the new original technique of the sputtering yield determination of electro-conducting materials and sub-atomic layers on their surface by light gas ions the pre-threshold energy region (from 10 to 500 eV) are considered. The technique allows to identify individual surface vacancies, i.e., to count individual sputtered atoms directly. A short review of the original results obtained by using the developed techniques is given. Data are presented and analyzed concerning energy thresholds of the sputtering onset and energy dependences of sputtering yield in the threshold energy region for beryllium, tungsten, tungsten oxide, alternating tungsten-carbon layers, three carbon materials as well as for sub-atomic carbon layers on surface of certain metals at their bombardment by hydrogen, deuterium and/or helium ions

  19. Long-tip high-speed atomic force microscopy for nanometer-scale imaging in live cells

    Science.gov (United States)

    Shibata, Mikihiro; Uchihashi, Takayuki; Ando, Toshio; Yasuda, Ryohei

    2015-03-01

    Visualization of morphological dynamics of live cells with nanometer resolution under physiological conditions is highly desired, but challenging. It has been demonstrated that high-speed atomic force microscopy is a powerful technique for visualizing dynamics of biomolecules under physiological conditions. However, application of high-speed atomic force microscopy for imaging larger objects such as live mammalian cells has been complicated because of the collision between the cantilever and samples. Here, we demonstrate that attaching an extremely long (~3 μm) and thin (~5 nm) tip by amorphous carbon to the cantilever allows us to image the surface structure of live cells with the spatiotemporal resolution of nanometers and seconds. We demonstrate that long-tip high-speed atomic force microscopy is capable of imaging morphogenesis of filopodia, membrane ruffles, pit formation, and endocytosis in COS-7, HeLa cells and hippocampal neurons.

  20. Atomic scale effects of alloying, partitioning, solute drag and austempering on the mechanical properties of high-carbon bainitic–austenitic TRIP steels

    International Nuclear Information System (INIS)

    Understanding alloying and thermal processing at an atomic scale is essential for the optimal design of high-carbon (0.71 wt.%) bainitic–austenitic transformation-induced plasticity (TRIP) steels. We investigate the influence of the austempering temperature, chemical composition (especially the Si:Al ratio) and partitioning on the nanostructure and mechanical behavior of these steels by atom probe tomography. The effects of the austempering temperature and of Si and Al on the compositional gradients across the phase boundaries between retained austenite and bainitic ferrite are studied. We observe that controlling these parameters (i.e. Si, Al content and austempering temperature) can be used to tune the stability of the retained austenite and hence the mechanical behavior of these steels. We also study the atomic scale redistribution of Mn and Si at the bainitic ferrite/austenite interface. The observations suggest that either para-equilibrium or local equilibrium-negligible partitioning conditions prevail depending on the Si:Al ratio during bainite transformation.

  1. Dynamic atomic scale in situ electron microscopy in the development of an efficient heterogeneous catalytic process for pharmaceutical NSAIDS

    NARCIS (Netherlands)

    N.R. Shiju; K. Yoshida; E.D. Boyes; D.R. Brown; P.L. Gai

    2011-01-01

    In heterogeneous catalysis the identification of the active site and crucially its location to prevent unwanted sintering and deactivation during the transformation of the precursor to active catalyst require the integration of dynamic in situ imaging at the atomic level and reactivity studies. We r

  2. Atomic scale simulations of pyrochlore oxides with a tight-binding variable-charge model: implications for radiation tolerance.

    Science.gov (United States)

    Sattonnay, G; Tétot, R

    2014-02-01

    Atomistic simulations with new interatomic potentials derived from a tight-binding variable-charge model were performed in order to investigate the lattice properties and the defect formation energies in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores. The main objective was to determine the role played by the defect stability on the radiation tolerance of these compounds. Calculations show that the titanate has a more covalent character than the zirconate. Moreover, the properties of oxygen Frenkel pairs, cation antisite defects and cation Frenkel pairs were studied. In Gd2Ti2O7 the cation antisite defect and the Ti-Frenkel pair are not stable: they evolve towards more stable defect configurations during the atomic relaxation process. This phenomenon is driven by a decrease of the Ti coordination number down to five which leads to a local atomic reorganization and strong structural distortions around the defects. These kinds of atomic rearrangements are not observed around defects in Gd2Zr2O7. Therefore, the defect stability in A2B2O7 depends on the ability of B atoms to accommodate high coordination number (higher than six seems impossible for Ti). The accumulation of structural distortions around Ti-defects due to this phenomenon could drive the Gd2Ti2O7 amorphization induced by irradiation.

  3. Atomic-scale analysis of the segregation and precipitation mechanisms in a severely deformed Al–Mg alloy

    International Nuclear Information System (INIS)

    Due to their interaction with crystalline defects, solute atoms play a critical role in the microstructure evolution of aluminum alloys during deformation. In addition, deformed structures often exhibit a modified aging response. For a better understanding of these mechanisms, we provide here a thorough study of deformation-induced segregation and precipitation mechanisms in an aluminum alloy containing 5.8 wt.% Mg subjected to severe plastic deformation (SPD). The solutionized alloy was processed by high-pressure torsion at room temperature and at 200 °C. The investigation of the microstructure and of the distribution of Mg after deformation by scanning transmission electron microscopy and atom probe tomography revealed that clustering and segregations occurred during severe deformation. Mg atoms agglomerate on grain boundaries (GBs), forming mostly nanoscaled clusters at room temperature and more uniform segregation along GBs at 200 °C. In any case, however, the equilibrium Al3Mg2 phase does not nucleate. Using post-deformation annealing treatments, it was found that it can proceed only through a very specific orientation relationship with the face-centered-cubic Al matrix. Both the contribution of dislocations and deformation-induced vacancies were considered to account for the enhanced mobility of Mg atoms. From theoretical estimations it is, however, concluded that Mg atoms are dragged by the vacancy flux toward GBs while dislocations should not play a significant role. These data provide new insights about mechanisms controlling dynamic precipitation and segregation during SPD of aluminum alloys. The segregation and formation of clusters that is revealed can additionally contribute to the strengthening of these alloys, leading to a new understanding of dynamic ageing in non-age-hardenable alloys

  4. Single Atom Plasmonic Switch

    CERN Document Server

    Emboras, Alexandros; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

    The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling-similar to electronics-is only limited by the atom. More precisely, we introduce an electrically controlled single atom plasmonic switch. The switch allows for fast and reproducible switching by means of the relocation of an individual or at most - a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ration of 10 dB and operation at room temperature with femtojoule (fJ) power consumption for a single switch operation. This demonstration of a CMOS compatible, integrated quantum device allowing to control photons at the single-atom level opens intriguing perspectives for a fully i...

  5. The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studies

    Science.gov (United States)

    Hawelek, L.; Brodka, A.; Dore, J. C.; Honkimaki, V.; Burian, A.

    2013-11-01

    The disordered structure of commercially available CXV activated carbon produced from finely powdered wood-based carbon has been studied using the wide-angle x-ray scattering technique, molecular dynamics and density functional theory simulations. The x-ray scattering data has been converted to the real space representation in the form of the pair correlation function via the Fourier transform. Geometry optimizations using classical molecular dynamics based on the reactive empirical bond order potential and density functional theory at the B3LYP/6-31g* level have been performed to generate nanoscale models of CXV carbon consistent with the experimental data. The final model of the structure comprises four chain-like and buckled graphitic layers containing a small percentage of four-fold coordinated atoms (sp3 defects) in each layer. The presence of non-hexagonal rings in the atomic arrangement has been also considered.

  6. Atomic scale investigation of redistribution of alloying elements in pearlitic steel wires upon cold-drawing and annealing.

    Science.gov (United States)

    Li, Y J; Choi, P; Goto, S; Borchers, C; Raabe, D; Kirchheim, R

    2013-09-01

    A local electrode atom probe has been employed to analyze the redistribution of alloying elements including Si, Mn, and Cr in pearlitic steel wires upon cold-drawing and subsequent annealing. It has been found that the three elements undergo mechanical mixing upon cold-drawing at large strains, where Mn and Cr exhibit a nearly homogeneous distribution throughout both ferrite and cementite, whereas Si only dissolves slightly in cementite. Annealing at elevated temperatures leads to a reversion of the mechanical alloying. Si atoms mainly segregate at well-defined ferrite (sub)grain boundaries formed during annealing. Cr and Mn are strongly concentrated in cementite adjacent to the ferrite/cementite interface due to their lower diffusivities in cementite than in ferrite. PMID:23237772

  7. The Atomic-scale Growth of Large-Area Monolayer Graphene on Single-Crystal Copper Substrates

    OpenAIRE

    Zhao, L; Rim, K. T.; Zhou, H.; He, R.; Heinz, T. F.; Pinczuk, A.; Flynn, G. W.; Pasupathy, A. N.

    2010-01-01

    We study the growth and microscopic structure of large-area graphene monolayers, grown on copper single crystals by chemical vapor deposition (CVD) in ultra-high vacuum (UHV). Using atomic-resolution scanning tunneling microscopy (STM), we find that graphene grows primarily in registry with the underlying copper lattice for both Cu(111) and Cu(100). The graphene has a hexagonal superstructure on Cu(111) with a significant electronic component, whereas it has a linear superstructure on Cu(100)...

  8. Atomic scale images of acceptors in III-V semiconductors; band bending, tunneling paths and wave functions

    OpenAIRE

    Loth, Sebastian

    2008-01-01

    This volume reports measurements of single dopant atoms in III-V semiconductors with low temperature scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). It studies the anisotropic spatial distribution of acceptor induced tunneling processes at the {110} cleavage planes. Two different tunneling processes are identified: conventional imaging of the squared acceptor wave function and resonant tunneling at the charged acceptor. A thorough analysis of the tip induced spa...

  9. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    Science.gov (United States)

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multicomponent metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamical aspects of a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulations with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (self diffusion coefficient, self relaxation time, and shear viscosity) bordered at Tx˜1300 K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs well above the melting point of the system (Tm˜900 K) in the equilibrium liquid state; and the crossover temperature Tx is roughly twice of the glass-transition temperature of the system (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a nonparametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter α2 and the four-point correlation function χ4.

  10. Angular dependence of the disorder crossover in the vortex lattice of Bi{sub 2.15}Sr{sub 1.85}CaCu{sub 2}O{sub 8+{delta}} by muon spin rotation and torque magnetometry

    Energy Technology Data Exchange (ETDEWEB)

    Aegerter, C.M.; Hofer, J.; Savic, I.M.; Keller, H. [Physik-Institut der Universitaet Zuerich, CH-8057 Zuerich (Switzerland); Lee, S.L.; Ager, C. [School of Physics and Astronomy, University of St. Andrews, St. Andrews, Fife KY169SS (United Kingdom); Lloyd, S.H.; Forgan, E.M. [School of Physics and Space Research, University of Birmingham, Birmingham B15 2TT (United Kingdom)

    1998-01-01

    Using the techniques of muon spin rotation and torque magnetometry, we investigate the crossover field B{sub cr} in Bi{sub 2.15}Sr{sub 1.85}Ca{sub 1}Cu{sub 2}O{sub 8+{delta}} at which the vortex lattice becomes disordered along the field direction. It is found that B{sub cr} scales as the projection of the applied field along the perpendicular to the superconducting planes. This has the implication that a field large enough to give a disordered lattice when applied perpendicular to the planes, can give a well-ordered vortex-line lattice for angles of the field to the c axis greater than a critical value. {copyright} {ital 1998} {ital The American Physical Society}

  11. Integrated evaluation of the geology, aero gamma spectrometry and aero magnetometry of the Sul-Riograndense Shield, southernmost Brazil

    International Nuclear Information System (INIS)

    An integrated evaluation of geology, aero gamma spectrometry and aero magnetometry of the Sul-Riograndense Shield is permitted by the advanced stage of understanding of the geology and geochronology of the southern Brazilian Shield and a 2010 airborne geophysical survey. Gamma rays are registered from the rocks near the surface and thus describe the distribution of major units in the shield, such as the Pelotas batholith, the juvenile São Gabriel terrane, the granulite-amphibolite facies Taquarembo terrane and the numerous granite intrusions in the foreland. Major structures are also observed, e.g., the Dorsal de Cangucu shear. Magnetic signals register near surface crustal compositions (analytic signal) and total crust composition (total magnetic signal), so their variation as measured indicates either shallow or whole crustal structures. The Cacapava shear is outstanding on the images as is the magnetic low along the N-S central portion of the shield. These integrated observations lead to the deepening of the understanding of the largest and even detailed structures of the Sul-Riograndense Shield, some to be correlated to field geology in future studies. Most significant is the presence of different provinces and their limits depending on the method used for data acquisition - geology, aero gamma spectrometry or aero magnetometry. (author)

  12. Integrated evaluation of the geology, aero gamma spectrometry and aero magnetometry of the Sul-Riograndense Shield, southernmost Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann, Leo A.; Savian, Jairo F., E-mail: leo.hartmann@ufrgs.br [Universidade Federal do Rio Grande do Sul (UFRS), Porto Alegre, RS (Brazil). Instituto de Geociencias; Lopes, William R. [Servico Geologico do Brasil (CPRM), Porto Alegre, RS (Brazil). Gerencia de Geologia e Mineracao

    2016-03-15

    An integrated evaluation of geology, aero gamma spectrometry and aero magnetometry of the Sul-Riograndense Shield is permitted by the advanced stage of understanding of the geology and geochronology of the southern Brazilian Shield and a 2010 airborne geophysical survey. Gamma rays are registered from the rocks near the surface and thus describe the distribution of major units in the shield, such as the Pelotas batholith, the juvenile São Gabriel terrane, the granulite-amphibolite facies Taquarembo terrane and the numerous granite intrusions in the foreland. Major structures are also observed, e.g., the Dorsal de Cangucu shear. Magnetic signals register near surface crustal compositions (analytic signal) and total crust composition (total magnetic signal), so their variation as measured indicates either shallow or whole crustal structures. The Cacapava shear is outstanding on the images as is the magnetic low along the N-S central portion of the shield. These integrated observations lead to the deepening of the understanding of the largest and even detailed structures of the Sul-Riograndense Shield, some to be correlated to field geology in future studies. Most significant is the presence of different provinces and their limits depending on the method used for data acquisition - geology, aero gamma spectrometry or aero magnetometry. (author)

  13. Polarizabilities and van der Waals C6 coefficients of fullerenes from an atomistic electrodynamics model: Anomalous scaling with number of carbon atoms.

    Science.gov (United States)

    Saidi, Wissam A; Norman, Patrick

    2016-07-14

    The van der Waals C6 coefficients of fullerenes are shown to exhibit an anomalous dependence on the number of carbon atoms N such that C6 ∝ N(2.2) as predicted using state-of-the-art quantum mechanical calculations based on fullerenes with small sizes, and N(2.75) as predicted using a classical-metallic spherical-shell approximation of the fullerenes. We use an atomistic electrodynamics model where each carbon atom is described by a polarizable object to extend the quantum mechanical calculations to larger fullerenes. The parameters of this model are optimized to describe accurately the static and complex polarizabilities of the fullerenes by fitting against accurate ab initio calculations. This model shows that C6 ∝ N(2.8), which is supportive of the classical-metallic spherical-shell approximation. Additionally, we show that the anomalous dependence of the polarizability on N is attributed to the electric charge term, while the dipole-dipole term scales almost linearly with the number of carbon atoms.

  14. Molecular dynamics investigation on the atomic-scale friction behaviors between copper(0 0 1) and diamond(1 1 1) surfaces

    International Nuclear Information System (INIS)

    Classical molecular dynamics (MD) simulations are conducted to examine the atomic-scale friction behavior of an infinite flat-flat contact between copper(0 0 1) and diamond(1 1 1) surfaces. Two types of diamond surface, namely H-free and hydrogenated, are constructed and on each of them the copper counterface is brought to slide along the [1 1 -2] and [1 -1 0] crystallographic directions with a variety of loads. The simulation results demonstrate that the hydrogen atoms chemisorbed to the diamond surface can to large extent eliminate the directional dependency of its friction behavior with copper. Under pressures less than 30 GPa, the sliding between copper and hydrogenated is wearless. In this period, the shear stress of them just slightly increases to 0.6 GPa. Between 30 GPa and 32 GPa, copper atoms near the interface begin to be worn and incorporate into the diamond substrate and this causes a sharp shift from 0.6 GPa to 2.7 GPa in their shear stress. In contrast, the sliding process between copper and H-free diamond is always wearless even under pressure beyond 40 GPa. The H-free [1 -1 0] model exhibits much higher shear stress than H-free [1 1 -2] under pressures less than 35 GPa. Beyond 35 GPa, they present nearly consistent shear stress evolution. Moreover, the simulations for hydrogenated diamond models suggest that their friction behavior is independent on sliding velocity only under wearless sliding regime.

  15. Atomic-Scale Theoretical Studies of Fundamental Properties and Processes in CHNO Plastic-Bonded Explosive Constituent Materials under Static and Dynamic Compression

    Science.gov (United States)

    Sewell, Thomas

    2013-06-01

    The results of recent theoretical atomic-scale studies of CHNO plastic-bonded explosive constituent materials will be presented, emphasizing the effects of static and dynamic compression on structure, vibrational spectroscopy, energy redistribution, and dynamic deformation processes. Among the chemical compounds to be discussed are pentaerythritol tetranitrate (PETN), hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX), nitromethane, and hydroxyl-terminated polybutadiene (HTPB). Specific topics to be discussed include pressure-dependent terahertz IR absorption spectra in crystalline PETN and RDX, microscopic material flow characteristics and energy localization during and after pore collapse in shocked (100)-oriented RDX, establishment of local thermodynamic temperature and the approach to thermal equilibrium in shocked (100)-oriented nitromethane, and structural changes and relaxation phenomena that occur in shocked amorphous cis-HTPB. In the case of shocked HTPB, comparisons will be made between results obtained using fully-atomic and coarse-grained (united atom) molecular dynamics force field models. Rather than attempting to discuss any given topic in extended detail, 3-4 vignettes will be presented that highlight outstanding scientific questions and the predictive methods and tools we are developing to answer them. The U.S. Defense Threat Reduction Agency and Office of Naval Research supported this research.

  16. Polarizabilities and van der Waals C6 coefficients of fullerenes from an atomistic electrodynamics model: Anomalous scaling with number of carbon atoms

    Science.gov (United States)

    Saidi, Wissam A.; Norman, Patrick

    2016-07-01

    The van der Waals C6 coefficients of fullerenes are shown to exhibit an anomalous dependence on the number of carbon atoms N such that C6 ∝ N2.2 as predicted using state-of-the-art quantum mechanical calculations based on fullerenes with small sizes, and N2.75 as predicted using a classical-metallic spherical-shell approximation of the fullerenes. We use an atomistic electrodynamics model where each carbon atom is described by a polarizable object to extend the quantum mechanical calculations to larger fullerenes. The parameters of this model are optimized to describe accurately the static and complex polarizabilities of the fullerenes by fitting against accurate ab initio calculations. This model shows that C6 ∝ N2.8, which is supportive of the classical-metallic spherical-shell approximation. Additionally, we show that the anomalous dependence of the polarizability on N is attributed to the electric charge term, while the dipole-dipole term scales almost linearly with the number of carbon atoms.

  17. Experimental verification of a one-parameter scaling law for the quantum and "classical" resonances of the atom-optics kicked rotor

    CERN Document Server

    Wimberger, S M; Parkins, S; Leonhardt, R; Wimberger, Sandro; Sadgrove, Mark; Parkins, Scott; Leonhardt, Rainer

    2005-01-01

    We present experimental measurements of the mean energy in the vicinity of the first and second quantum resonances of the atom optics kicked rotor for a number of different experimental parameters. Our data is rescaled and compared with the one parameter epsilon--classical scaling function developed to describe the quantum resonance peaks. Additionally, experimental data is presented for the ``classical'' resonance which occurs in the limit as the kicking period goes to zero. This resonance is found to be analogous to the quantum resonances, and a similar one-parameter classical scaling function is derived, and found to match our experimental results. The width of the quantum and classical resonance peaks is compared, and their Sub-Fourier nature examined.

  18. Atomic scale images of acceptors in III-V semiconductors. Band bending, tunneling paths and wave functions

    Energy Technology Data Exchange (ETDEWEB)

    Loth, S.

    2007-10-26

    This thesis reports measurements of single dopant atoms in III-V semiconductors with low temperature Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS). It investigates the anisotropic spatial distribution of acceptor induced tunneling processes at the {l_brace}110{r_brace} cleavage planes. Two different tunneling processes are identified: conventional imaging of the squared acceptor wave function and resonant tunneling at the charged acceptor. A thorough analysis of the tip induced space charge layers identifies characteristic bias windows for each tunnel process. The symmetry of the host crystal's band structure determines the spatial distribution of the tunneling paths for both processes. Symmetry reducing effects at the surface are responsible for a pronounced asymmetry of the acceptor contrasts along the principal [001] axis. Uniaxial strain fields due to surface relaxation and spin orbit interaction of the tip induced electric field are discussed on the basis of band structure calculations. High-resolution STS studies of acceptor atoms in an operating p-i-n diode confirm that an electric field indeed changes the acceptor contrasts. In conclusion, the anisotropic contrasts of acceptors are created by the host crystal's band structure and concomitant symmetry reduction effects at the surface. (orig.)

  19. Atomic scale investigation of redistribution of alloying elements in pearlitic steel wires upon cold-drawing and annealing

    Energy Technology Data Exchange (ETDEWEB)

    Li, Y.J., E-mail: y.li@mpie.de [Institut für Materialphysik, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, D-37077 Göttingen (Germany); Max-Planck Institut für Eisenforschung, Max-Planck-Str. 1, D-40237 Düsseldorf (Germany); Choi, P. [Max-Planck Institut für Eisenforschung, Max-Planck-Str. 1, D-40237 Düsseldorf (Germany); Goto, S. [Department of Materials Science and Engineering, Faculty of Engineering and Resource Science, Akita University, Tegata Gakuencho, Akita 010-8502 (Japan); Borchers, C. [Institut für Materialphysik, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, D-37077 Göttingen (Germany); Raabe, D., E-mail: d.raabe@mpie.de [Max-Planck Institut für Eisenforschung, Max-Planck-Str. 1, D-40237 Düsseldorf (Germany); Kirchheim, R. [Institut für Materialphysik, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, D-37077 Göttingen (Germany); Max-Planck Institut für Eisenforschung, Max-Planck-Str. 1, D-40237 Düsseldorf (Germany)

    2013-09-15

    A local electrode atom probe has been employed to analyze the redistribution of alloying elements including Si, Mn, and Cr in pearlitic steel wires upon cold-drawing and subsequent annealing. It has been found that the three elements undergo mechanical mixing upon cold-drawing at large strains, where Mn and Cr exhibit a nearly homogeneous distribution throughout both ferrite and cementite, whereas Si only dissolves slightly in cementite. Annealing at elevated temperatures leads to a reversion of the mechanical alloying. Si atoms mainly segregate at well-defined ferrite (sub)grain boundaries formed during annealing. Cr and Mn are strongly concentrated in cementite adjacent to the ferrite/cementite interface due to their lower diffusivities in cementite than in ferrite. - Highlights: ► Mechanical alloying effect is studied on Mn, Si, and Cr in pearlite. ► Severe cold-drawing forces Mn and Cr into the ferrite. ► Si is only somewhat forced into the cementite. ► Following annealing, Si prefers to segregate at ferrite (sub)grain boundaries. ► Following annealing, Cr and Mn are strongly enriched in cementite.

  20. Nanometer-Scale Manipulation and Ultrasonic Cutting Using an Atomic Force Microscope Controlled by a Haptic Device as a Human Interface

    Science.gov (United States)

    Iwata, Futoshi; Ohara, Kouhei; Ishizu, Yuichi; Sasaki, Akira; Aoyama, Hisayuki; Ushiki, Tatsuo

    2008-07-01

    We describe a nanometer-scale manipulation and cutting method using ultrasonic oscillation scratching. The system is based on a modified atomic force microscope (AFM) coupled with a haptic device as a human interface. By handling the haptic device, the operator can directly move the AFM probe to manipulate nanometer scale objects and cut a surface while feeling the reaction from the surface in his or her fingers. As for manipulation using the system, nanometer-scale spheres were controllably moved by feeling the sensation of the AFM probe touching the spheres. As for cutting performance, the samples were prepared on an AT-cut quartz crystal resonator (QCR) set on an AFM sample holder. The QCR oscillates at its resonance frequency (9 MHz) with an amplitude of a few nanometers. Thus it is possible to cut the sample surface smoothly by the interaction between the AFM probe and the oscillating surface, even when the samples are viscoelastics such as polymers and biological samples. The ultrasonic nano-manipulation and cutting system would be a very useful and effective tool in the fields of nanometer-scale engineering and biological sciences.

  1. Optical pumping of rubidium atoms in a parahydrogen matrix

    Science.gov (United States)

    Weinstein, Jonathan; Arnott, W. Patrick; Christy, Tim; Hartzell, Chase; Kanagin, Andrew; Momose, Takamasa; Patterson, David; Upadhyay, Sunil

    2016-05-01

    Building on prior work with rubidium atoms in a cryogenic argon matrix, we have grown solid parahydrogen crystals doped with rubidium atoms. Typical rubidium densities are on the order of 1017 cm-3. We have demonstrated optical pumping of the atomic spin of the implanted rubidium atoms; the measured spin polarization signals are roughly one order of magnitude larger than what was achieved in argon matrices. The combination of high atomic densities and optical addressability make this a promising experimental platform for applications such as magnetometry and fundamental physics measurements. Spin lifetimes (T1) on the order of 1 second have been observed. Progress towards measuring coherence times (T2) will be discussed. This material is based on work supported by the National Science Foundation under Grant No. PHY 1265905.

  2. Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

    Science.gov (United States)

    Daw, Murray S.; Mills, Michael J.

    2003-01-01

    We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

  3. Large-scale analysis of high-speed atomic force microscopy data sets using adaptive image processing

    Directory of Open Access Journals (Sweden)

    Blake W. Erickson

    2012-11-01

    Full Text Available Modern high-speed atomic force microscopes generate significant quantities of data in a short amount of time. Each image in the sequence has to be processed quickly and accurately in order to obtain a true representation of the sample and its changes over time. This paper presents an automated, adaptive algorithm for the required processing of AFM images. The algorithm adaptively corrects for both common one-dimensional distortions as well as the most common two-dimensional distortions. This method uses an iterative thresholded processing algorithm for rapid and accurate separation of background and surface topography. This separation prevents artificial bias from topographic features and ensures the best possible coherence between the different images in a sequence. This method is equally applicable to all channels of AFM data, and can process images in seconds.

  4. Atomic scale observation of phase separation and formation of silicon clusters in Hf higk-{kappa} silicates

    Energy Technology Data Exchange (ETDEWEB)

    Talbot, E.; Roussel, M.; Genevois, C.; Pareige, P. [Groupe de Physique des Materiaux (GPM), Universite et INSA de Rouen, UMR CNRS 6634, Av. de l' Universite, BP 12, 76801 Saint Etienne du Rouvray (France); Khomenkova, L.; Portier, X.; Gourbilleau, F. [Centre de Recherche sur les Ions, les Materiaux et la Photonique (CIMAP), CEA/CNRS/ENSICAEN/UCBN, 6 Bd. Marechal Juin, 14050 Caen Cedex 4 (France)

    2012-05-15

    Hafnium silicate films were fabricated by RF reactive magnetron sputtering technique. Fine microstructural analyses of the films were performed by means of high-resolution transmission electron microscopy and atom probe tomography. A thermal treatment of as-grown homogeneous films leads to a phase separation process. The formation of SiO{sub 2} and HfO{sub 2} phases as well as pure Si one was revealed. This latter was found to be amorphous Si nanoclusters, distributed uniformly in the film volume. Their mean diameter and density were estimated to be about 2.8 nm and (2.9 {+-} 0.4) x 10{sup 17} Si-ncs/cm{sup 3}, respectively. The mechanism of the decomposition process was proposed. The obtained results pave the way for future microelectronic and photonic applications of Hf-based high-{kappa} dielectrics with embedded Si nanoclusters.

  5. Atomic scale observation of phase separation and formation of silicon clusters in Hf higk-κ silicates

    Science.gov (United States)

    Talbot, E.; Roussel, M.; Genevois, C.; Pareige, P.; Khomenkova, L.; Portier, X.; Gourbilleau, F.

    2012-05-01

    Hafnium silicate films were fabricated by RF reactive magnetron sputtering technique. Fine microstructural analyses of the films were performed by means of high-resolution transmission electron microscopy and atom probe tomography. A thermal treatment of as-grown homogeneous films leads to a phase separation process. The formation of SiO2 and HfO2 phases as well as pure Si one was revealed. This latter was found to be amorphous Si nanoclusters, distributed uniformly in the film volume. Their mean diameter and density were estimated to be about 2.8 nm and (2.9 ± 0.4) × 1017 Si-ncs/cm3, respectively. The mechanism of the decomposition process was proposed. The obtained results pave the way for future microelectronic and photonic applications of Hf-based high-κ dielectrics with embedded Si nanoclusters.

  6. First Principles Calculations of the Double Photoionization of Atoms and Molecules using B-splines and Exterior Complex Scaling

    International Nuclear Information System (INIS)

    We report a fully ab initio implementation of exterior complex scaling in B-splines to evaluate total, singly and triply differential cross sections in double photoionization problems. Results for He and H2 double photoionization are presented and compared with experiment

  7. On the formation of oriented nanometer scale patterns on amorphous polymer surfaces studied by atomic force microscopy

    NARCIS (Netherlands)

    Pickering, J.P.; Vancso, G.J.

    1999-01-01

    Nanometer scale patterns were formed on the surface of several amorphous polystyrenes by a scanning probe microscope (SPM) operating in the contact mode. In order to better understand the nature of their formation, samples of several molar masses were systematically examined at room temperature in a

  8. Dislocation glide in Ni-Al solid solutions from the atomic scale up: a molecular dynamics study

    International Nuclear Information System (INIS)

    The glide of an edge dislocation in solid solutions is studied by molecular dynamics, at fixed temperature and imposed external stress. We have optimized an EAM potential for Ni(1 a 8% A1): it well reproduces the lattice expansion, local atomic order, stacking fault energy as a function of composition, as well as the elastic properties of the γ' phase with L12 structure. On increasing the stress, the dislocation is first immobile, then glides with a velocity proportional to the stress and the velocity saturates on reaching the transverse sound velocity. However, only beyond a static threshold stress, σs, does the dislocation glide a distance large enough to allow macroscopic shear; the linear part of the velocity-stress curve extrapolates to zero at a dynamical threshold stress, σd, The friction coefficient, and the threshold stresses (σs and σd), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, σs, the dislocation glide is analysed with a 'stop and go' model. The latter yields the flight velocity between obstacles, the mean obstacle density and the distribution of the waiting time on each obstacle as a function of stress, composition and temperature. The obstacle to the glide is proposed to be the strong repulsion between Al atoms brought into nearest neighbour position by the glide process, and not the dislocation-solute interaction. The microscopic parameters so defined are introduced into a micro-mechanical model, which well reproduces the known behaviour of nickel base solid solutions. (author)

  9. Cold Matter Assembled Atom-by-Atom

    CERN Document Server

    Endres, Manuel; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D

    2016-01-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a novel platform for the deterministic preparation of regular arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of over 50 atoms in less than 400 ms. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach enables controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  10. Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

    Energy Technology Data Exchange (ETDEWEB)

    Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu [School for Engineering of Matter, Transport, and Energy, Arizona State University, Tempe, Arizona 85287 (United States); Groh, S. [Institute of Mechanics and Fluid Dynamics, TU Bergakademie Freiberg, Freiberg 09556 (Germany)

    2014-08-14

    In this study, we present atomistic mechanisms of 1/2 [111](11{sup ¯}0) edge dislocation interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres in body centered cubic (bcc) iron. In metals such as iron, increases in hydrogen concentration can increase dislocation mobility and/or cleavage-type decohesion. Here, we first investigate the dislocation mobility in the presence of various point defects, i.e., change in the frictional stress as the edge dislocation interacts with (a) vacancy, (b) substitutional hydrogen, (c) one substitutional and one interstitial hydrogen, (d) interstitial hydrogen, (e) vacancy and interstitial hydrogen, and (f) two interstitial hydrogen. Second, we examine the role of a hydrogen-solute atmosphere on the rate of local dislocation velocity. The edge dislocation simulation with a vacancy in the compression side of the dislocation and an interstitial hydrogen atom at the tension side exhibit the strongest mechanical response, suggesting a higher potential barrier and hence, the higher frictional stress (i.e., ∼83% higher than the pure iron Peierls stress). In the case of a dislocation interacting with a vacancy on the compressive side, the vacancy binds with the edge dislocation, resulting in an increase in the friction stress of about 28% when compared with the Peierls stress of an edge dislocation in pure iron. Furthermore, as the applied strain increases, the vacancy migrates through a dislocation transportation mechanism by attaining a velocity of the same order as the dislocation velocity. For the case of the edge dislocation interacting with interstitial hydrogen on the tension side, the hydrogen atom jumps through one layer perpendicular to the glide plane during the pinning-unpinning process. Finally, our simulation of dislocation interactions with hydrogen show first an increase in the local dislocation velocity followed by a pinning of the dislocation core in the atmosphere, resulting in

  11. Atomic scale investigation of non-equilibrium segregation of boron in a quenched Mo-free martensitic steel.

    Science.gov (United States)

    Li, Y J; Ponge, D; Choi, P; Raabe, D

    2015-12-01

    B-added low carbon steels exhibit excellent hardenability. The reason has been frequently attributed to B segregation at prior austenite grain boundaries, which prevents the austenite to ferrite transformation and favors the formation of martensite. The segregation behavior of B at prior austenite grain boundaries is strongly influenced by processing conditions such as austenitization temperatures and cooling rates and by alloying elements such as Mo, Cr, and Nb. Here an local electrode atom probe was employed to investigate the segregation behavior of B and other alloying elements (C, Mn, Si, and Cr) in a Cr-added Mo-free martensitic steel. Similar to our previous results on a Mo-added steel, we found that in both steels B is segregated at prior austenite grain boundaries with similar excess values, whereas B is neither detected in the martensitic matrix nor at martensite-martensite boundaries at the given cooling rate of 30K/s. These results are in agreement with the literature reporting that Cr has the same effect on hardenability of steels as Mo in the case of high cooling rates. The absence of B at martensite-martensite boundaries suggests that B segregates to prior austenite grain boundaries via a non-equilibrium mechanism. Segregation of C at all boundaries such as prior austenite grain boundaries and martensite-martensite boundaries may occur by an equilibrium mechanism.

  12. Combined Atomic Force Microscope-Based Topographical Imaging and Nanometer Scale Resolved Proximal Probe Thermal Desorption/Electrospray Ionization-Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ovchinnikova, Olga S [ORNL; Nikiforov, Maxim [ORNL; Bradshaw, James A [ORNL; Jesse, Stephen [ORNL; Van Berkel, Gary J [ORNL

    2011-01-01

    Nanometer scale proximal probe thermal desorption/electrospray ionization mass spectrometry (TD/ESI-MS) was demonstrated for molecular surface sampling of caffeine from a thin film using a 30 nm diameter nano-thermal analysis (nano-TA) probe tip in an atomic force microscope (AFM) coupled via a vapor transfer line and ESI interface to a MS detection platform. Using a probe temperature of 350 C and a spot sampling time of 30 s, conical desorption craters 250 nm in diameter and 100 nm deep were created as shown through subsequent topographical imaging of the surface within the same system. Automated sampling of a 5 x 2 array of spots, with 2 m spacing between spots, and real time selective detection of the desorbed caffeine using tandem mass spectrometry was also demonstrated. Estimated from the crater volume (~2x106 nm3), only about 10 amol (2 fg) of caffeine was liberated from each thermal desorption crater in the thin film. These results illustrate a relatively simple experimental setup and means to acquire in automated fashion sub-micrometer scale spatial sampling resolution and mass spectral detection of materials amenable to TD. The ability to achieve MS-based chemical imaging with 250 nm scale spatial resolution with this system is anticipated.

  13. Atomic scale modelling of nanosize Ni sub 3 Al cluster beam deposition on Al, Ni and Ni sub 3 Al (1 1 1) surfaces

    CERN Document Server

    Kharlamov, V S; Hou, M

    2002-01-01

    The slowing down of Ni sub 3 Al clusters on a Al, Ni and Ni sub 3 Al (1 1 1) surfaces is studied by atomic scale modelling. The semi-grand canonical metropolis Monte Carlo is used for the preparation of isolated clusters at thermodynamic equilibrium. The cluster deposition on the surface is studied in detail by classical Molecular Dynamics simulations that include a model to account for electron-phonon coupling. Long- and short-range orders in the cluster are evaluated as functions of temperature in an impact energy range between 0 and 1.5 eV/atom. The interaction between the Ni sub 3 Al cluster and an Al surface is characterised low short range (chemical) disorder. No sizeable epitaxy is found, subsequent to the impact. In contrast, in the case of Ni and Ni sub 3 Al substrates, which are harder materials than aluminium, the chemical disorder is higher and epitaxial accommodation is possible. With these substrates, chemical disorder in the cluster is an increasing function of the impact energy, as well as of ...

  14. A comprehensive picture in the view of atomic scale on piezoelectricity of ZnO tunnel junctions: The first principles simulation

    Directory of Open Access Journals (Sweden)

    Genghong Zhang

    2016-06-01

    Full Text Available Piezoelectricity is closely related with the performance and application of piezoelectric devices. It is a crucial issue to understand its detailed fundamental for designing functional devices with more peculiar performances. Basing on the first principles simulations, the ZnO piezoelectric tunnel junction is taken as an example to systematically investigate its piezoelectricity (including the piezopotential energy, piezoelectric field, piezoelectric polarization and piezocharge and explore their correlation. The comprehensive picture of the piezoelectricity in the ZnO tunnel junction is revealed at atomic scale and it is verified to be the intrinsic characteristic of ZnO barrier, independent of its terminated surface but dependent on its c axis orientation and the applied strain. In the case of the ZnO c axis pointing from right to left, an in-plane compressive strain will induce piezocharges (and a piezopotential energy drop with positive and negative signs (negative and positive signs emerging respectively at the left and right terminated surfaces of the ZnO barrier. Meanwhile a piezoelectric polarization (and a piezoelectric field pointing from right to left (from left to right are also induced throughout the ZnO barrier. All these piezoelectric physical quantities would reverse when the applied strain switches from compressive to tensile. This study provides an atomic level insight into the fundamental behavior of the piezoelectricity of the piezoelectric tunnel junction and should have very useful information for future designs of piezoelectric devices.

  15. Point defects and irradiation in oxides: simulations at the atomic scale; Defauts ponctuels et irradiation dans les oxydes: simulation a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Crocombette, J.P

    2005-12-15

    The studies done by Jean-Paul Crocombette between 1996 and 2005 in the Service de Recherches de Metallurgie Physique of the Direction de l'Energie Nucleaire in Saclay are presented in this Habilitation thesis. These works were part of the material science researches on the ageing, especially under irradiation, of oxides of interest for the nuclear industry. In this context simulation studies at the atomic scale were performed on two elementary components of ageing under irradiation : point defects and displacement cascades ; using two complementary simulation techniques : ab initio electronic structure calculations and empirical potential molecular dynamics. The first part deals with point defects : self defects (vacancies or interstitials) or hetero-atomic dopants. One first recalls the energetics of such defects in oxides, the specific features of defects calculations and the expected accuracy of these calculations. Then one presents the results obtained on uranium dioxide, oxygen in silver and amorphous silica. The second part tackles the modelling of disintegration recoil nuclei in various?displacement cascades created by crystalline matrices for actinide waste disposal. Cascade calculations give access to the amorphization mechanisms under irradiation of these materials. One thus predicts that the amorphization in zircon takes place directly in the tracks whereas in lanthanum zirconate, the amorphization proceeds through the accumulation of point defects. Finally the prospects of these studies are discussed. (author)

  16. Research on Atomic-Scale Investigation of Li Storage Mechanism in Spinel Li4TisO12

    Institute of Scientific and Technical Information of China (English)

    Xia Lu; Lin Gu; Yong-Sheng Hu; Hong Li; Liquan Chen

    2012-01-01

    Nowadays, there is large-scale energy storage an increasing need for with the developments of renewable energy sources including solar and wind power. Among the candidates, Li-ion batter- ies have been regarded as one of the most impor- tant alternatives to power the electric vehicles (EVs) and/or to store electric energy in large- scale. Nonetheless, the performance o{ present Li ion batteries can still not meet the requirements for such applications. Spinel Li4 Ti5 O12, with zero- strain characteristics and structural stability during charge and discharge process, plays a significant role in long-life Li-ion batteries. However, it is still under dispute on the reaction mechanism, charge compensation and gas-release (possible sur- face structure) in the Li4 Ti5 Ol2 electrode during cycling. In order to further improve the battery performance, a more fundamental and microscopic understanding on the Li storage mechanism in Li4 Ti5 O12 is essential.

  17. Imaging the fine-scale structure of the cellular actin cytoskeleton by Single Particle Tracking and Atomic Force Microscopy

    Science.gov (United States)

    Mustata, Gina-Mirela

    It has been proposed that diffusion in the plasma membrane of eukaryotic cells it is compartmentalized due to the interaction with the underlying actin-based membrane skeleton that comes into close proximity to the lipid bilayer. The cytoskeleton is a dynamic structure that maintains cell shape, enables cell motion, and plays important roles in both intra-cellular transport and cellular division. We show here the evidence of plasma membrane compartmentalization using Single Particle Tracking (SPT) and Atomic Force Microscopy (AFM) imaging. SPT of Quantum dot labeled lipid in the plasma membrane of live normal rat kidney cells show compartments ranging from 325 nm to 391 nm depending on the sampling time. Using AFM imaging of live NRK cell in the presence of phalloidin, the membrane compartmentalization it is visible with the average size of the compartments of 325 +/- 10 nm (the main peak is centered at 260 nm). Further, the underlying membrane skeleton in fixed cells was directly imaged after partial removal of the plasma membrane to reveal size of the membrane skeleton meshwork of 339 +/- 10 nm. A new method of measuring the characteristics of the actin meshwork was proposed. Probing the local compliance of the plasma membrane through the deflection of a soft AFM cantilever we can expect that the stiffness of the membrane will be higher at locations directly above a cortical actin. This new method provided information about the structure of the skeletal meshwork of neuronal cell body predicting an average compartment size of about 132 nm. This was confirmed through SPT of QD-lipid incorporated into the neuronal cell membrane.

  18. The atomic-scale mechanism for the enhanced glass-forming-ability of a Cu-Zr based bulk metallic glass with minor element additions.

    Science.gov (United States)

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

    2014-01-01

    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. PMID:24721927

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

    Energy Technology Data Exchange (ETDEWEB)

    Bartel, T.P.

    2008-10-08

    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.)

  20. Growth of centimeter-scale atomically thin MoS{sub 2} films by pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Siegel, Gene; Venkata Subbaiah, Y. P.; Prestgard, Megan C.; Tiwari, Ashutosh, E-mail: tiwari@eng.utah.edu [Nanostructured Materials Research Laboratory, Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 (United States)

    2015-05-01

    We are reporting the growth of single layer and few-layer MoS{sub 2} films on single crystal sapphire substrates using a pulsed-laser deposition technique. A pulsed KrF excimer laser (wavelength: 248 nm; pulse width: 25 ns) was used to ablate a polycrystalline MoS{sub 2} target. The material thus ablated was deposited on a single crystal sapphire (0001) substrate kept at 700 °C in an ambient vacuum of 10{sup −6} Torr. Detailed characterization of the films was performed using atomic force microscopy (AFM), Raman spectroscopy, UV-Vis spectroscopy, and photoluminescence (PL) measurements. The ablation of the MoS{sub 2} target by 50 laser pulses (energy density: 1.5 J/cm{sup 2}) was found to result in the formation of a monolayer of MoS{sub 2} as shown by AFM results. In the Raman spectrum, A{sub 1g} and E{sup 1}{sub 2g} peaks were observed at 404.6 cm{sup −1} and 384.5 cm{sup −1} with a spacing of 20.1 cm{sup −1}, confirming the monolayer thickness of the film. The UV-Vis absorption spectrum exhibited two exciton absorption bands at 672 nm (1.85 eV) and 615 nm (2.02 eV), with an energy split of 0.17 eV, which is in excellent agreement with the theoretically predicted value of 0.15 eV. The monolayer MoS{sub 2} exhibited a PL peak at 1.85 eV confirming the direct nature of the band-gap. By varying the number of laser pulses, bi-layer, tri-layer, and few-layer MoS{sub 2} films were prepared. It was found that as the number of monolayers (n) in the MoS{sub 2} films increases, the spacing between the A{sub 1g} and E{sup 1}{sub 2g} Raman peaks (Δf) increases following an empirical relation, Δf=26.45−(15.42)/(1+1.44 n{sup 0.9}) cm{sup −1}.

  1. Rb atomic magnetometer toward EDM experiment with laser cooled francium atoms

    Science.gov (United States)

    Inoue, Takeshi; Ando, Shun; Aoki, Takahiro; Arikawa, Hiroshi; Harada, Ken-Ichi; Hayamizu, Tomohiro; Ishikawa, Taisuke; Itoh, Masatoshi; Kato, Ko; Kawamura, Hirokazu; Sakamoto, Kosuke; Uchiyama, Aiko; Asahi, Koichiro; Yoshimi, Akihiro; Sakemi, Yasuhiro

    2014-09-01

    A permanent electric dipole moment (EDM) of a particle or an atom is a suited observable to test the physics beyond the standard model. We plan to search for the electron EDM by using the laser cooled francium (Fr) atom, since the Fr atom has a large enhancement factor of the electron EDM and the laser cooling techniques can suppress both statistical and systematic errors. In the EDM experiment, a fluctuation of the magnetic field is a main source of the errors. In order to achieve the high precision magnetometry, a magnetometer based on the nonlinear magneto-optical rotation effect of the Rb atom is under development. A long coherence time of Rb atom is the key issue for the highly sensitive detection of the field fluctuations. The coherence time is limited due both to collisions with an inner surface of a cell contained the Rb atom and to residual field in a magnetic shield. We prepared the cell coated with an anti-relaxation material and measured the relaxation time. A degauss of the shield was performed to eliminate the residual field. We will report the present status of the magnetometer. A permanent electric dipole moment (EDM) of a particle or an atom is a suited observable to test the physics beyond the standard model. We plan to search for the electron EDM by using the laser cooled francium (Fr) atom, since the Fr atom has a large enhancement factor of the electron EDM and the laser cooling techniques can suppress both statistical and systematic errors. In the EDM experiment, a fluctuation of the magnetic field is a main source of the errors. In order to achieve the high precision magnetometry, a magnetometer based on the nonlinear magneto-optical rotation effect of the Rb atom is under development. A long coherence time of Rb atom is the key issue for the highly sensitive detection of the field fluctuations. The coherence time is limited due both to collisions with an inner surface of a cell contained the Rb atom and to residual field in a magnetic shield

  2. ORAL ISSUE OF THE JOURNAL "USPEKHI FIZICHESKIKH NAUK": Modern radio-optical methods in quantum magnetometry

    Science.gov (United States)

    Aleksandrov, Evgenii B.; Vershovskii, Anton K.

    2009-06-01

    This paper is an extension of a part of the talk delivered under the more general title "Narrow spectral lines in fundamental metrology: state of the art, prospects, and problems"' at the session of the 90th anniversary of Physics-Uspekhi. The talk reviewed past developments and the current status of the metrology of length, frequency/time, and magnetic fields. The measurement of these quantities currently relies on the high stability of energies of standard transitions between metastable atomic states. Because of space restrictions in the journal, all metrology topics other than the title one were omitted in the present review.

  3. Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field

    Science.gov (United States)

    Verlackt, C. C. W.; Neyts, E. C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A. C. T.; Bogaerts, A.

    2015-10-01

    Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma-cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered time-scale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution.

  4. Efficient plasma-enhanced method for layered LiNi1/3Co1/3Mn1/3O2 cathodes with sulfur atom-scale modification for superior-performance Li-ion batteries

    Science.gov (United States)

    Jiang, Qianqian; Chen, Ning; Liu, Dongdong; Wang, Shuangyin; Zhang, Han

    2016-05-01

    In order to improve the electrochemical performance of LiNi1/3Co1/3Mn1/3O2 as a lithium insertion positive electrode material, atom-scale modification was realized to obtain the layered oxysulfide LiNi1/3Co1/3Mn1/3O2-xSx using a novel plasma-enhanced doping strategy. The structure and electrochemical performance of LiNi1/3Co1/3Mn1/3O2-xSx are investigated systematically, which confirms that the S doping can make the structure stable and benefit the electrochemical performance. The phys-chemical characterizations indicate that oxygen atoms in the initial LiNi1/3Co1/3Mn1/3O2 have been partially replaced by S atoms. It should be pointed out that the atom-scale modification does not significantly alter the intrinsic structure of the cathode. Compared to the pristine material, the LiNi1/3Co1/3Mn1/3O2-xSx shows a superior performance with a higher capacity (200.4 mA h g-1) and a significantly improved cycling stability (maintaining 94.46% of its initial discharge capacity after 100 cycles). Moreover, it has an excellent rate performance especially at elevated performance, which is probably due to the faster Li+ transportation after S doping into the layered structure. All the results show that the atom-scale modification with sulfur atoms on LiNi1/3Co1/3Mn1/3O2, which significantly improved the electrochemical performance, offers a novel anionic doping strategy to realize the atom-scale modification of electrode materials to improve their electrochemical performance.In order to improve the electrochemical performance of LiNi1/3Co1/3Mn1/3O2 as a lithium insertion positive electrode material, atom-scale modification was realized to obtain the layered oxysulfide LiNi1/3Co1/3Mn1/3O2-xSx using a novel plasma-enhanced doping strategy. The structure and electrochemical performance of LiNi1/3Co1/3Mn1/3O2-xSx are investigated systematically, which confirms that the S doping can make the structure stable and benefit the electrochemical performance. The phys

  5. Efficient plasma-enhanced method for layered LiNi1/3Co1/3Mn1/3O2 cathodes with sulfur atom-scale modification for superior-performance Li-ion batteries.

    Science.gov (United States)

    Jiang, Qianqian; Chen, Ning; Liu, Dongdong; Wang, Shuangyin; Zhang, Han

    2016-06-01

    In order to improve the electrochemical performance of LiNi1/3Co1/3Mn1/3O2 as a lithium insertion positive electrode material, atom-scale modification was realized to obtain the layered oxysulfide LiNi1/3Co1/3Mn1/3O2-xSx using a novel plasma-enhanced doping strategy. The structure and electrochemical performance of LiNi1/3Co1/3Mn1/3O2-xSx are investigated systematically, which confirms that the S doping can make the structure stable and benefit the electrochemical performance. The phys-chemical characterizations indicate that oxygen atoms in the initial LiNi1/3Co1/3Mn1/3O2 have been partially replaced by S atoms. It should be pointed out that the atom-scale modification does not significantly alter the intrinsic structure of the cathode. Compared to the pristine material, the LiNi1/3Co1/3Mn1/3O2-xSx shows a superior performance with a higher capacity (200.4 mA h g(-1)) and a significantly improved cycling stability (maintaining 94.46% of its initial discharge capacity after 100 cycles). Moreover, it has an excellent rate performance especially at elevated performance, which is probably due to the faster Li(+) transportation after S doping into the layered structure. All the results show that the atom-scale modification with sulfur atoms on LiNi1/3Co1/3Mn1/3O2, which significantly improved the electrochemical performance, offers a novel anionic doping strategy to realize the atom-scale modification of electrode materials to improve their electrochemical performance.

  6. Enabling the measurement of in-situ, atomic scale mineral transformation rates in supercritical CO2 through development of a high pressure AFM

    Science.gov (United States)

    Lea, S.; Higgins, S. R.; Knauss, K. G.; Rosso, K. M.

    2010-12-01

    Capture and storage of carbon dioxide in deep geologic formations represents one promising scenario for minimizing the impacts of greenhouse gases on global warming. The ability to demonstrate that CO2 will remain stored in the geological formation over the long-term is needed in support of widespread implementation decisions, and knowledge of mineral-fluid chemical transformation rates is an essential aspect. The majority of previous research on mineral-fluid interactions has focused primarily on the reactivity of minerals in aqueous solutions containing various amounts of dissolved CO2. Long-term caprock integrity, however, could also be dictated by mineral transformations occurring in low-water environments dominated by the supercritical CO2 (scCO2) fluid phase, which is expected to slowly displace or dessicate residual aqueous solution at the caprock-fluid interface. Many of the mechanisms of mineral interfacial reactions with hydrated or water-saturated scCO2 are unknown and there are unique challenges to obtain kinetic and thermodynamic data for mineral transformation reactions in these fluids. We are developing a high-pressure atomic force microscope (AFM) that will enable in-situ, atomic scale measurements of metal carbonate nucleation and growth rates on mineral surfaces in contact with hydrated scCO2 fluids. This apparatus is based on the hydrothermal AFM that was developed by Higgins et al.1, but includes some enhancements and is designed to handle pressures up to 100 bar. The noise in our optically-based cantilever deflection detection scheme is subject to perturbations in the density (due to index of refraction dependence) of the compressible supercritical fluid. Consequently, variations in temperature and pressure within the fluid cell are a primary technical challenge with possible significant impact in imaging resolution. We demonstrate with our test fluid cell that the equivalent rms noise in the deflection signal is similar to (and in some cases

  7. Double-Cell Geometry for 129Xe/3He Co-Magnetometry

    Science.gov (United States)

    Ohtomo, Yuichi; Ichikawa, Yuichi; Sato, Tomoya; Sakamoto, Yu; Kojima, Shuichiro; Suzuki, Takahiro; Shirai, Hazuki; Chikamori, Masatoshi; Hikota, Eri; Miyatake, Hirokazu; Nanao, Tsubasa; Suzuki, Kunifumi; Tsuchiya, Masato; Inoue, Takeshi; Furukawa, Takeshi; Yoshimi, Akihiro; Bidinosti, Christopher P.; Ino, Takashi; Ueno, Hideki; Matsuo, Yukari; Fukuyama, Takeshi; Asahi, Koichiro

    Comagnetometers play a key role in EDM experiments. They allow one to quantify, and subsequently correct for, any long-term drifts of the external magnetic field. In order to improve the performance of the 3He comagnetometer for our 129Xe EDM measurements, we have decided to incorporate a double-cell geometry which enables us to suppress a frequency shift due to contact interaction with polarized Rb atoms. In this study, the production and relaxation of 3He spin polarization in the double cell were studied. As a result, the followings were achieved: a polarization of 1.04(8)%, a longitudinal spin relaxation time of 10.1(5) h, and a transverse relaxation time of 2,340 s. With these improvements, concurrent operation of the 129Xe and 3He masers has been realized, and EDM measurement will be started in near future using a cell designed based on the results of this study.

  8. Atomic and Molecular Physics

    OpenAIRE

    Cohen-Tannoudji, Claude

    2015-01-01

    When physicists began to explore the world of atoms more precisely, as they endeavoured to understand its structure and the laws governing its behaviour, they soon encountered serious difficulties. Our intuitive concepts, based on our daily experience of the macroscopic world around us, proved to be completely erroneous on the atomic scale; the atom was incomprehensible within the framework of classical physics. In order to uncover these new mysteries, after a great deal of trial and error, e...

  9. Search for a Permanent Electric Dipole Moment in XENON-129 Using Simultaneous HELIUM-3 Magnetometry

    Science.gov (United States)

    Oteiza, Eduardo Rafael

    This dissertation presents the first results of a new technique designed to search for a permanent electric dipole moment (PEDM) in ^{129} Xe. An observed non-zero PEDM in ^ {129}Xe would be direct evidence of time -reversal and parity symmetry violation. Unlike previous experiments which search for a PEDM, this one has used a second atomic species, ^3He, as an in situ magnetometer to reduce the possibility of observing a false PEDM caused by an artifact of the experiment. The measurement described in this work searches for a change in the ^{129}Xe precession frequency when ^{129}Xe spins are allowed to freely precess in an applied magnetic field and are subjected to an applied electric field which is alternately parallel or anti-parallel to the applied magnetic field. The ^3He spins also freely precess in the same test cell; they thus are used to detect any changes in the total magnetic field. The detected ^3He and ^ {129}Xe free precession signals were simultaneously processed by two different detection schemes. The null results of d_{129} = ( -2.51 +/- 11.1) cdot 10^{-26} e-cm and d_{129} = ( -4.81 +/- 11.0) cdot 10^{-26} e-cm were found for a PEDM in ^{129} Xe using the data collected by these two schemes. These values were derived from data collected during 33 hours out of a total of 132 hours of operation of the experiment; 99 hours were spent preparing the ^3He and ^{129}Xe spins. The precision of this measurement was chiefly limited by interactions between the ^3He and ^ {129}Xe atoms. The nature of these interactions is explained and ideas for improving this precision are presented.

  10. Atomic-scale microstructures, Raman spectra and dielectric properties of cubic pyrochlore-typed Bi1.5MgNb1.5O7 dielectric ceramics

    KAUST Repository

    Li, Yangyang

    2014-07-01

    Single-phase cubic pyrochlore-typed Bi1.5MgNb 1.5O7 (BMN) dielectric ceramics were synthesized at temperatures of 1050-1200 °C by solid-state reaction method. Their atomic-scale microstructures and dielectric properties were investigated. X-ray diffraction patterns revealed that the BMN ceramics had an average cubic pyrochlore structure, whereas the Raman spectra indicated that they had an essentially cubic symmetry with small local deviations at the A and O\\' sites of the cubic pyrochlore structure. This was confirmed by selected electron area diffraction (SAED) patterns, where the reflections of {442} (not allowed in the cubic pyrochlore with Fd3̄m symmetry) were clearly observed. SEM and TEM images revealed that the average grain size was increased with the sintering temperature, and an un-homogeneous grain growth was observed at high temperatures. HRTEM images and SAED patterns revealed the single-crystalline nature of the BMN ceramic grains. Energy dispersive spectroscopy (EDS) elemental mapping studies indicated that the compositional distributions of Bi, Mg, Nb and O elements in the ceramic grains were homogenous, and no elemental precipitation was observed at the grain boundary. Quantitative EDS data on ceramic grains revealed the expected cationic stoichiometry based on the initial composition of Bi1.5MgNb1.5O7. Dielectric constants of all the BMN samples exhibited almost frequency independent characteristic in the frequency range of 102-106 Hz, and the highest value was 195 for the BMN ceramics sintered at sintered at 1150 °C with the highest bulk density. The dielectric losses were stable and less than 0.002 in the frequency range of 102-105 Hz. The high dielectric constants of the present BMN samples can be ascribed to the local atomic deviations at the A and O\\' sites from the ideal atomic positions of the pyrochlore structure, which affect the different polarization mechanisms in the BMN ceramics, and which in turn enhance the dielectric

  11. CFD simulation for atomic layer deposition on large scale ceramic membranes%大尺寸陶瓷膜原子层沉积过程的CFD模拟

    Institute of Scientific and Technical Information of China (English)

    朱明; 汪勇

    2016-01-01

    Ceramic membranes are widely used in liquid filtration for their superior chemical resistance, temperature stability and mechanical robustness. Their performance can be further improved by surface modifications, such as liquid phase reactions, which are typically too complicated to control. Atomic layer deposition (ALD), a deposition technique of self-limiting gas/solid phase chemical reactions for growing atomic scale thin films, has been extremely useful for precisely regulating nanoscale pore structures, especially modification and functionalization of porous separation membranes. Most existing ALD equipment are designed for silicon wafer substrate in semiconductor industry, thus design optimization on ALD processes of both precursor flow and surface reactions are needed for application in large-scale ceramic membranes. Computerized fluid dynamics (CFD) modeling was used to investigate ALD process on 1-meter-long single-channeled ceramic membrane by considering both boundary conditions and surface chemical reactions of two precursors pulsed alternatively into the channel. The simulations fitted well with the experimental data at average difference of 1.69% and thus an ALD model for two-way alternatively pulsed rotation was proposed, which would be very helpful in equipment design and process optimization of ALD for large scale ceramic membranes.%陶瓷膜具有耐高温、耐酸碱、强度高等优点,在液体分离领域得到了广泛应用。对陶瓷膜进行表面改性,可进一步提升其性能,但基于表面化学反应的改性方法工艺过程复杂,难于控制。原子层沉积(atomic layer deposition,ALD)是基于表面自限制化学反应过程的气固相薄膜沉积技术,可以在纳米尺度精确调控孔道结构,特别适用于多孔分离膜的改性和功能化。目前尚无适用于大尺寸陶瓷膜的ALD设备,需要对ALD过程进行专门的优化设计。通过CFD模型对1 m长的单通道陶瓷膜的ALD

  12. Atomic scale structure of the 5-fold surface of an AlPdMn quasicrystal: A quantitative X-Ray photoelectron diffraction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jin-Cheng; Huan, C.H.A.; Wee, A.T.S.; Van Hove, M.A.; Fadley, C.S.; Shi, F.J.; Rotenberg, E.; Barman, S.R.; Paggel, J.J.; Horn, K.; Ebert, Ph.; Urban, K.

    2004-02-11

    The atomic scale structure of the 5-fold symmetric surface of an AlPdMn quasicrystal is investigated quantitatively by comparing x-ray photoelectron diffraction (XPD) simulations to experiment. The observed 5-fold symmetry of the diffraction patterns indicates that the surface is quasicrystalline with no hint of a reconstruction from the bulk structure. In analyzing the experimental data, many possible bulk terminations have been tested. Those few that fit best to the data have in common that they contain an Al-rich surface layer followed by a dense mixed Al/Pd/Mn layer. These best terminations, while not identical to each other, are suggested to form terraces coexisting on a real surface. Structural relaxations of the quasicrystal surface are also analyzed: mixing several best-fit terminations gives average best-fit interlayer spacing changes of Dd12 = -0.057 Angstrom, Dd24 = +0.159 Angstrom. These results are in good agreement with a prior structure determination by LEED on a sample that was prepared in a different manner.

  13. AAO-assisted synthesis of highly ordered, large-scale TiO2 nanowire arrays via sputtering and atomic layer deposition.

    Science.gov (United States)

    Yao, Zhao; Wang, Cong; Li, Yang; Kim, Nam-Young

    2015-01-01

    Highly ordered nanoporous anodic aluminum oxide (AAO) thin films were fabricated in oxalic acid under a constant voltage via a two-step anodization process. To investigate the high-aspect-ratio (7.5:1) filling process, both sputtering and atomic layer deposition (ALD) were used to form TiO2 nanowires. Field emission scanning electron microscopy and high-resolution transmission electron microscopy images indicated that mushroom-like TiO2 structures were sputtered onto the AAO template surface, and the ALD-coated TiO2 exhibited fine filling results and clear crystal grain boundaries. Large-scale and free-standing TiO2 nanowire arrays were liberated by selectively removing the aluminum substrate and AAO template via a wet etching process with no collapsing or agglomeration after the drying process. ALD-deposited TiO2 nanowire arrays that were 67 nm in diameter and 400 nm high were transferred from the AAO template. The ALD process enabled the rapid, simple synthesis of highly ordered TiO2 nanowire arrays with desired parameters such as diameter, density, and thickness determined using diverse AAO templates.

  14. Atomic force microscopy and scanning electron microscopy evaluation of efficacy of scaling and root planing using magnification: A randomized controlled clinical study

    Directory of Open Access Journals (Sweden)

    Ranjana Mohan

    2013-01-01

    Full Text Available Aim: A randomized controlled clinical study was undertaken to evaluate the effectiveness of scaling and root planing (SRP by using Magnifying Loupes (ML and dental operating microscope (DOM. Materials and Methods: A total of 90 human teeth scheduled for extraction from 18 patients aged between 25 and 65 years suffering from generalized chronic severe periodontitis were randomly assigned to three treatment groups. Group 1 consisted SRP performed without using magnification (unaided, Group 2-SRP with ML and Group 3-SRP with DOM. Following extractions, samples were prepared for (i evaluation of surface topography by atomic force microscopy, (ii presence of smear layer, debris by scanning electron microscopy (iii elemental analysis by energy dispersive X-ray analysis. Data was subjected to statistical analysis using analysis of variance, post-hoc (Tukey-HSD and Chi-square test. Results: Statistically significant (P < 0.001 difference was found among the different treatment groups. Group 3 was the best while Group 1 was the least effective technique for SRP. Order of efficacy in terms of the surface was found to be - Palatal < Lingual < Distal ≅ Mesial < Buccal. Efficiency in mandibular to maxillary teeth was found to be significant (P < 0.05, also anterior to posterior teeth (P < 0.05. Conclusion: Magnification tools significantly enhance the efficacy of supragingival and subgingival SRP.

  15. Atomic Dark Matter

    OpenAIRE

    Kaplan, David E.; Krnjaic, Gordan Z.; Rehermann, Keith R.; Wells, Christopher M.

    2009-01-01

    We propose that dark matter is dominantly comprised of atomic bound states. We build a simple model and map the parameter space that results in the early universe formation of hydrogen-like dark atoms. We find that atomic dark matter has interesting implications for cosmology as well as direct detection: Protohalo formation can be suppressed below $M_{proto} \\sim 10^3 - 10^6 M_{\\odot}$ for weak scale dark matter due to Ion-Radiation interactions in the dark sector. Moreover, weak-scale dark a...

  16. High dynamic range magnetometry with a single nuclear spin in diamond

    Energy Technology Data Exchange (ETDEWEB)

    Waldherr, Gerald; Beck, Johannes; Neumann, Philipp; Nitsche, Matthias; Wrachtrup, Joerg [3. Physikalisches Institut, Universitaet Stuttgart, 70569 Stuttgart (Germany); Said, Ressa S. [Institut fuer Quanten-Informationsverarbeitung, Universitaet Ulm, 89081 Ulm (Germany); Twamley, Jason [Centre for Engineered Quantum Systems, Faculty of Science, Macquarie University, Sydney (Australia); Jelezko, Fedor [Institut fuer Quantenoptik, Universitaet Ulm, 89073 Ulm (Germany)

    2012-07-01

    Sensors based on the nitrogen-vacancy (NV) defect in diamond are being developed to measure weak magnetic and electric fields at nanoscale. However, such sensors rely on measurements of a shift in the Lamor frequency of the defect, so an accumulation of quantum phase causes the measurement signal to exhibit a periodic modulation. This means that the measurement time is either restricted to half of one oscillation period, which limits accuracy, or that the magnetic field range must be known in advance. Moreover, the precision increases only slowly, as T{sup -0.5}, with the measurement time T. We implement a quantum phase estimation algorithm on a single nuclear spin in diamond to combine both high sensitivity and high dynamic range. By achieving a scaling of the precision with time to T{sup -0.85}, we improve the sensitivity by a factor of 7.4, for an accessible field range of 16 mT, or alternatively, we improve the dynamic range by a factor of 130 for a sensitivity of 2.5 {mu}T/Hz{sup 0.5}. These methods are applicable to a variety of field detection schemes, and do not require entanglement.

  17. MxCSM: A massively-multiplexed coronal spectropolarimetric magnetometer for spaced-based coronal magnetometry

    Science.gov (United States)

    Lin, Haosheng

    2016-07-01

    This paper presents the conceptual design of a new coronal spectropolarimeter that employs large-scale multiplexing strategy to enable small coronagraphs to perform high-sensitivity measurements of the polarizations of multiple coronal emission lines (CELs) of the whole corona. The massively multiplexed coronal spectropolarimetric magnetometer (mxCSM) is a 25 cm catadioptric off-axis Gregorian coronagraph equipped with two 3-wavelength, 100-slit spectrographs to measure the polarization of six CELs simultaneously at 100 slits over a 1.2 degree x 1.0 degree (2.4 Rsun x 2.0 Rsun ) field of view. The large multiplexing capability of this design allows small coronagraphs to perform high sensitivity spectropolarimetric observations over a large FOV that until now is possible only with large aperture telescopes. Therefore, this design is ideally suited for space missions in which payload size and weight are important considerations. Future space missions with multiple mxCSMs in circumsolar orbits can provide polarization measurements of CELs from multiple lines of sight to enable true tomographic inversion of the coronal magnetic fields.

  18. Aerial gamma spectrometry and aerial magnetometry of the occidental tract from Paulista Precambrian

    International Nuclear Information System (INIS)

    This work includes processing and interpretation of airborne spectrometric and magnetometric data of a 20.000 km2 area between the cities of Sao Paulo and Pirassununga (Sao Paulo State, Brazil). Spectrometric maps were produced and interpreted, showing isorad curves for K, U and Th channels, U/Th, K/U and K/Th ratios, and F = K.U/Th. Main results are the following ones: a comparison between spectrometric and geological data at scale 1:50.000 Itu, Sorocaba, Sao Francisco and Morungaba granitoids showed satisfactory individualization of the bodies, discrimination of different sectors and/or mapping units and relations between facies zonality patterns and distribution of radioactivity levels of K, U and Th channels; airborne spectrometric and magnetometric data compared with geological data generally suggests classification for granitoid rocks following main current proposals of international literature; on the basis of magnetometric features of outcropping Precambrian terrains and with the help of filtered maps, it was possible to induce the tectonic framework of the basement complex covered by sediments and lavas of Parana Basin, with the help of filtered maps. Another interesting aspect was the definition of the tectonic border of this basin inside the studied area, which not only controlled the localization of Itu belt granitoids, but also may have affected the sedimentation in the basin by reactivation processes; finally it was shown that used methods are important mapping tools, which may contribute for the knowledge of the granitoids and the tectonic framework and for the study of metallogenic potential. (author)

  19. Role of W and Mn for reliable 1X nanometer-node ultra-large-scale integration Cu interconnects proved by atom probe tomography

    International Nuclear Information System (INIS)

    We used atom probe tomography (APT) to study the use of a Cu(Mn) as a seed layer of Cu, and a Co(W) single-layer as reliable Cu diffusion barriers for future interconnects in ultra-large-scale integration. The use of Co(W) layer enhances adhesion of Cu to prevent electromigration and stress-induced voiding failures. The use of Cu(Mn) as seed layer may enhance the diffusion barrier performance of Co(W) by stuffing the Cu diffusion pass with Mn. APT was used to visualize the distribution of W and Mn in three dimensions with sub-nanometer resolution. W was found to segregate at the grain boundaries of Co, which prevents diffusion of Cu via the grain boundaries. Mn was found to diffuse from the Cu(Mn) layer to Co(W) layer and selectively segregate at the Co(W) grain boundaries with W, reinforcing the barrier properties of Co(W) layer. Hence, a Co(W) barrier coupled with a Cu(Mn) seed layer can form a sufficient diffusion barrier with film that is less than 2.0-nm-thick. The diffusion barrier behavior was preserved following a 1-h annealing at 400 °C. The underlayer of the Cu interconnects requires a large adhesion strength with the Cu, as well as low electrical resistivity. The use of Co(W) has previously been shown to satisfy these requirements, and addition of Mn is not expected to deteriorate these properties.

  20. Microtraps and Atom Chips: Toolboxes for Cold Atom Physics

    OpenAIRE

    Feenstra, L.; Andersson, L. M.; Schmiedmayer, J.

    2003-01-01

    Magnetic microtraps and Atom Chips are safe, small-scale, reliable and flexible tools to prepare ultra-cold and degenerate atom clouds as sources for various atom-optical experiments. We present an overview of the possibilities of the devices and indicate how a microtrap can be used to prepare and launch a Bose-Einstein condensate for use in an atom clock or an interferometer.

  1. Dislocations and elementary processes of plasticity in FCC metals: atomic scale simulations; Dislocations et processus elementaires de la plasticite dans les metaux CFC: apports des simulations a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rodney, D

    2000-07-01

    We present atomic-scale simulations of two elementary processes of FCC crystal plasticity. The first study consists in the simulation by molecular dynamics, in a nickel crystal, of the interactions between an edge dislocation and glissile interstitial loops of the type that form under irradiation in displacement cascades. The simulations show various atomic-scale interaction processes leading to the absorption and drag of the loops by the dislocation. These reactions certainly contribute to the formation of the 'clear bands' observed in deformed irradiated materials. The simulations also allow to study quantitatively the role of the glissile loops in irradiation hardening. In particular, dislocation unpinning stresses for certain pinning mechanisms are evaluated from the simulations. The second study consists first in the generalization in three dimensions of the quasi-continuum method (QCM), a multi-scale simulation method which couples atomistic techniques and the finite element method. In the QCM, regions close to dislocation cores are simulated at the atomic-scale while the rest of the crystal is simulated with a lower resolution by means of a discretization of the displacement fields using the finite element method. The QCM is then tested on the simulation of the formation and breaking of dislocation junctions in an aluminum crystal. Comparison of the simulations with an elastic model of dislocation junctions shows that the structure and strength of the junctions are dominated by elastic line tension effects, as is assumed in classical theories. (author)

  2. Atomic scale investigations on Cd{sub x}Zn{sub 1−x}Se quantum dots: Correlation between the composition and emission properties

    Energy Technology Data Exchange (ETDEWEB)

    Benallali, H., E-mail: hammouda.benallali@im2np.fr; Hoummada, K.; Mangelinck, D. [Aix-Marseille Université, IM2NP-CNRS, Case 142, 13397 Marseille Cedex 20 (France); Cremel, T.; André, R.; Tatarenko, S.; Kheng, K. [University of Grenoble Alpes, F-38000 Grenoble (France); CEA, INAC, F-38054 Grenoble (France); CNRS, Inst. NEEL, F-38042 Grenoble (France)

    2014-08-04

    Atom probe tomography and photoluminescence spectroscopy have been used to study Cd{sub x}Zn{sub 1−x}Se quantum dots embedded in a ZnSe layer grown on a (001) GaAs substrate. Atom probe tomography analyses show significant cadmium incorporation in the center of the dots surrounded by poor cadmium region. These measurements illustrate that the maximum cadmium concentration in the quantum dots is significantly higher than the concentration estimated by transmission electron microscopy. The composition and size of quantum dots obtained by atom probe tomography have been used to calculate the transition energies including excitonic and strain effects.

  3. Enhanced light-vapor interactions and all optical switching in a chip scale micro-ring resonator coupled with atomic vapor

    CERN Document Server

    Stern, Liron; Mazurski, Noa; Levy, Uriel

    2016-01-01

    The coupling of atomic and photonic resonances serves as an important tool for enhancing light-matter interactions and enables the observation of multitude of fascinating and fundamental phenomena. Here, by exploiting the platform of atomic-cladding wave guides, we experimentally demonstrate the resonant coupling of rubidium vapor and an atomic cladding micro ring resonator. Specifically, we observed cavity-atom coupling in the form of Fano resonances having a distinct dependency on the relative frequency detuning between the photonic and the atomic resonances. Moreover, we were able to significantly enhance the efficiency of all optical switching in the V-type pump-probe scheme. The coupled system of micro-ring resonator and atomic vapor is a promising building block for a variety of light vapor experiments, as it offers a very small footprint, high degree of integration and extremely strong confinement of light and vapor. As such it may be used for important applications, such as all optical switching, disp...

  4. Effects of oxygen partial pressure and atomic oxygen on the microstructure of oxide scale of ZrB2–SiC composites at 1500 °C

    International Nuclear Information System (INIS)

    Highlights: •Effects of pressure on oxidation behaviour of ZrB2–SiC composites were investigated. •The response of ZrB2–SiC composites to atomic oxygen is assessed quantitatively. •The oxidation mechanism of ZrB2–SiC composites is analyzed in detail. -- Abstract: The oxidation behaviour of ZrB2-20 vol.% SiC composites was investigated based on the microstructural evolution of oxide scale under different oxygen partial pressures at 1500 °C, and the similar experiment was performed in atomic oxygen for comparison. The thickness of the oxide scale increases first and then gradually decreases as the pressure decreases, which is strongly dependent on both total pressure and oxygen partial pressure. The atomic oxygen significantly enhances the oxidation of ZrB2–SiC composites, but has little effect on the microstructure of oxide scale. The oxidation mechanism of ZrB2–SiC composites is also discussed in detail

  5. Selective addressing of high-rank atomic polarization moments

    CERN Document Server

    Yashchuk, V V; Gawlik, W; Kimball, D F; Malakyan, Y P; Rochester, S M; Malakyan, Yu. P.

    2003-01-01

    We describe a method of selective generation and study of polarization moments of up to the highest rank $\\kappa=2F$ possible for a quantum state with total angular momentum $F$. The technique is based on nonlinear magneto-optical rotation with frequency-modulated light. Various polarization moments are distinguished by the periodicity of light-polarization rotation induced by the atoms during Larmor precession and exhibit distinct light-intensity and frequency dependences. We apply the method to study polarization moments of $^{87}$Rb atoms contained in a vapor cell with antirelaxation coating. Distinct ultra-narrow (1-Hz wide) resonances, corresponding to different multipoles, appear in the magnetic-field dependence of the optical rotation. The use of the highest-multipole resonances has important applications in quantum and nonlinear optics and in magnetometry.

  6. Atom chips

    CERN Document Server

    Reichel, Jakob

    2010-01-01

    This book provides a stimulating and multifaceted picture of a rapidly developing field. The first part reviews fundamentals of atom chip research in tutorial style, while subsequent parts focus on the topics of atom-surface interaction, coherence on atom chips, and possible future directions of atom chip research. The articles are written by leading researchers in the field in their characteristic and individual styles.

  7. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico

    2013-01-01

    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

  8. Atom probe tomography today

    Directory of Open Access Journals (Sweden)

    Alfred Cerezo

    2007-12-01

    Full Text Available This review aims to describe and illustrate the advances in the application of atom probe tomography that have been made possible by recent developments, particularly in specimen preparation techniques (using dual-beam focused-ion beam instruments but also of the more routine use of laser pulsing. The combination of these two developments now permits atomic-scale investigation of site-specific regions within engineering alloys (e.g. at grain boundaries and in the vicinity of cracks and also the atomic-level characterization of interfaces in multilayers, oxide films, and semiconductor materials and devices.

  9. High-resolution transmission electron microscopy and bulk magnetometry study of LaFe_(11.5)Si_(1.5) compound

    Institute of Scientific and Technical Information of China (English)

    Zou Jun-Ding; Li Wei; Shen Bao-Gen

    2009-01-01

    This paper studies the microstructural and magnetic properties of LaFe_(11.5)Si_(1.5) compound by means of high-resolution transmission electron microscope and bulk magnetometry measurements. The crystalline structure is accompanied with the noncrystalline and nanocrystalline structures. This characteristic is the reflection of the crystalline process held by quenching. The inverse susceptibilities diverge and deviate from Curie-Weiss law under low applied magnetic fields. This paper proposes the possible mechanism between the anomalous susceptibilities and microstructtire, and offers a perspective on the magnetic properties of metastable intermetallic compounds.

  10. Atomic Physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

    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

  11. Atom interferometry

    International Nuclear Information System (INIS)

    We will first present a development of the fundamental principles of atom interferometers. Next we will discuss a few of the various methods now available to split and recombine atomic De Broglie waves, with special emphasis on atom interferometers based on optical pulses. We will also be particularly concerned with high precision interferometers with long measurement times such those made with atomic fountains. The application of atom interferometry to the measurement of the acceleration due to gravity will be detailed. We will also develop the atom interferometry based on adiabatic transfer and we will apply it to the measurement of the photon recoil in the case of the Doppler shift of an atomic resonance caused by the momentum recoil from an absorbed photon. Finally the outlook of future developments will be given. (A.C.)

  12. Quantum information with Rydberg atoms

    DEFF Research Database (Denmark)

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

    2010-01-01

    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....

  13. Atomic scale visualization of novel magnetic phase transitions in Fe-based superconductor Sr4V2O6Fe2As2

    Science.gov (United States)

    Choi, Seokhwan; Jang, Won-Jun; Ok, Jong Mok; Choi, Hyun Woo; Lee, Hyun Jung; Jung, Jin Oh; Son, Dong Hyun; Suh, Hwan Soo; Kim, Jun Sung; Semertzidis, Yannis K.; Lee, Jhinhwan

    Sr4V2O6Fe2As2 consists of superconducting FeAs layers and Mott insulating Sr2VO3 layers, and exhibits superconductivity with Tc near 30 K despite being a parent compound material. Unlike normal Fe-based superconductors, the magnetism of Sr4V2O6Fe2As2 has complexity due to the presence of two magnetic atomic layers of V and Fe; therefore, the issue of magnetism has been actively debated. In this work, we studied the orbital and magnetic phase transitions in the range of 4 K to 180 K using spin-polarized scanning tunneling microscope. We directly observed the changes of charge density waves of V atomic layer related to the nematicity at 150 K, and spin density waves of V atomic layer resulting from spin ordering of underlying Fe atomic layer below 50 K. Moreover, controlling the sample bias voltage, the hysteresis of magnetic domain is observed at 4 K. Our results show key clues to solve controversy about the magnetism of Sr4V2O6Fe2As2.

  14. Atomic scale fabrication of dangling bond structures on hydrogen passivated Si(0 0 1) wafers processed and nanopackaged in a clean room environment

    Energy Technology Data Exchange (ETDEWEB)

    Kolmer, Marek; Godlewski, Szymon; Zuzak, Rafal; Wojtaszek, Mateusz [Centre for Nanometer-Scale Science and Advanced Materials, NANOSAM, Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University, Reymonta Str. 4, PL 30-059 Krakow (Poland); Rauer, Caroline; Thuaire, Aurélie; Hartmann, Jean-Michel; Moriceau, Hubert [CEA, LETI, Minatec Campus, 17, Avenue des Martyrs, 38 054 Grenoble Cedex 9 (France); Joachim, Christian [Nanosciences Group and MANA Satellite, CEMES-CNRS, 29 rue Jeanne Marvig, F-31055 Toulouse (France); Szymonski, Marek, E-mail: marek.szymonski@uj.edu.pl [Centre for Nanometer-Scale Science and Advanced Materials, NANOSAM, Faculty of Physics, Astronomy and Applied Computer Science, Jagiellonian University, Reymonta Str. 4, PL 30-059 Krakow (Poland)

    2014-01-01

    Specific surfaces allowing the ultra-high vacuum (UHV) creation of electronic interconnects and atomic nanostructures are required for the successful development of novel nanoscale electronic devices. Atomically flat and reconstructed Si(0 0 1):H surfaces are serious candidates for that role. In this work such Si:H surfaces were prepared in a cleanroom environment on 200 mm silicon wafers with a hydrogen bake and were subsequently bonded together to ensure the surface protection, and allow their transportation and storage for several months in air. Given the nature of the bonding, which was hydrophobic with weak van der Waals forces, we were then able to de-bond them in UHV. We show that the quality of the de-bonded Si:H surface enables the “at will” construction of sophisticated and complex dangling bond (DB) nanostructures by atomically precise scanning tunneling microscope (STM) tip induced desorption of hydrogen atoms. The DB structures created on slightly doped Si:H samples were characterized by scanning tunneling microscopy and spectroscopy (STM/STS) performed at 4 K. Our results demonstrate that DB nanostructures fabricated on UHV de-bonded Si(0 0 1):H wafers could be directly incorporated in future electronics as interconnects and parts of nanoscale logic circuits.

  15. Atomic scale fabrication of dangling bond structures on hydrogen passivated Si(0 0 1) wafers processed and nanopackaged in a clean room environment

    Science.gov (United States)

    Kolmer, Marek; Godlewski, Szymon; Zuzak, Rafal; Wojtaszek, Mateusz; Rauer, Caroline; Thuaire, Aurélie; Hartmann, Jean-Michel; Moriceau, Hubert; Joachim, Christian; Szymonski, Marek

    2014-01-01

    Specific surfaces allowing the ultra-high vacuum (UHV) creation of electronic interconnects and atomic nanostructures are required for the successful development of novel nanoscale electronic devices. Atomically flat and reconstructed Si(0 0 1):H surfaces are serious candidates for that role. In this work such Si:H surfaces were prepared in a cleanroom environment on 200 mm silicon wafers with a hydrogen bake and were subsequently bonded together to ensure the surface protection, and allow their transportation and storage for several months in air. Given the nature of the bonding, which was hydrophobic with weak van der Waals forces, we were then able to de-bond them in UHV. We show that the quality of the de-bonded Si:H surface enables the "at will" construction of sophisticated and complex dangling bond (DB) nanostructures by atomically precise scanning tunneling microscope (STM) tip induced desorption of hydrogen atoms. The DB structures created on slightly doped Si:H samples were characterized by scanning tunneling microscopy and spectroscopy (STM/STS) performed at 4 K. Our results demonstrate that DB nanostructures fabricated on UHV de-bonded Si(0 0 1):H wafers could be directly incorporated in future electronics as interconnects and parts of nanoscale logic circuits.

  16. Atomic physics

    International Nuclear Information System (INIS)

    Research activities in atomic physics at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: experiments on stored ions; test for parity violation in neutral weak currents; energy conservation and astrophysics; atomic absorption spectroscopy, atomic and molecular detectors; theoretical studies of quantum electrodynamics and high-z ions; atomic beam magnetic resonance; radiative decay from the 23Po,2 levels of helium-like argon; quenching of the metastable 2S/sub 1/2/ state of hydrogen-like argon in an external electric field; and lifetime of the 23Po level of helium-like krypton

  17. Anisotropie magnetique du La2NiMnO6 multiferroique par magnetometrie statique et spectroscopie de resonance ferromagnetique

    Science.gov (United States)

    Chagnon, Dany

    In this research, magnetic properties of thin films composed of both double- (La2NiMnO6 or LNMOo) and simple-perovskites (LaNi0.5Mn0.5O3 ou LNMOd) are studied. This mixt phase (LNMOm) possesses two magnetic transitions; one for each phase present. It has previously been shown that this phase possesses a higher Curie temperature than LNMOo, approaching room temperature. This property makes room temperature ferromagnetic resonance measurements possible. Angular FMR measurement has already been achieved, but the magnetic anisotropy resulting isn’t completely understood. The goal of this study is to increase our understanding of this anisotropy to get new informations on the structure of the samples. To achieve this goal, thin films of LNMOm have been deposited by PLD on three different substrates; LSAT(001), LSAT(011) and LSAT(111). LSAT has been chosen for his insulating properties limiting the losses in the microwave cavities used for FMR measurements and for his very smooth surface. One sample of LNMOm on LAO(001) was also fabricated by Mangala Singh from the laboratoire des matériaux quantiques during a summer internship of the author. Some of the results obtained on this sample were used in this work. The samples were first characterized using static magnetometry. All samples possess two magnetic transitions, one at low temperature corresponding to the disordered phase and one at high temperature corresponding to the ordered phase. The temperature of these transitions were obtained with precision using the inflection point method. The high temperature transition was then confirmed using magnetocaloric effect, which gave the exact same values. The transition temperature of the ordered phase of all samples was between 268 and 271 K, while the transition of the disordered phase was between 60 and 110 K. A third transition at really low temperature was observed on some samples. The volume and volumic fraction of the ordered and disordered phases were approximated

  18. A method for accurate electron-atom resonances: The complex-scaled multiconfigurational spin-tensor electron propagator method for the $^2P\\, \\mbox{Be}^{-}$ shape resonance problem

    CERN Document Server

    Tsednee, Tsogbayar; Yeager, Danny L

    2015-01-01

    We propose and develop the complex scaled multiconfigurational spin-tensor electron propagator (CMCSTEP) technique for theoretical determination of resonance parameters with electron-atom/molecule systems including open-shell and highly correlated atoms and molecules. The multiconfigurational spin-tensor electron propagator method (MCSTEP) developed and implemented by Yeager his coworkers in real space gives very accurate and reliable ionization potentials and attachment energies. The CMCSTEP method uses a complex scaled multiconfigurational self-consistent field (CMCSCF) state as an initial state along with a dilated Hamiltonian where all of the electronic coordinates are scaled by a complex factor. CMCSCF was developed and applied successfully to resonance problems earlier. We apply the CMCSTEP method to get $^2 P\\,\\mbox{Be}^{-}$ shape resonance parameters using $14s11p5d$, $14s14p2d$, and $14s14p5d$ basis sets with a $2s2p3d$\\,CAS. The obtained value of the resonance parameters are compared to previous res...

  19. Atomic physics

    CERN Document Server

    Born, Max

    1989-01-01

    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. Atomic scale modelling of chromium diffusion and melting in α-iron and iron-chromium alloys using high-temperature molecular dynamics simulation

    Science.gov (United States)

    Terentiev, Dmitri A.; Malerba, Lorenzo; Olsson, Par; Hou, Marc

    2004-04-01

    EAM interatomic potential to be used for radiation effect simulations in the Fe-Cr system has been recently proposed. In the present work, this potential is used to calculate by means of classical molecular dynamics (MD) the diffusivity of solute Cr atoms in Fe-12%Cr random alloy. Fe self-diffusivity is calculated as well, both in the alloy and in the pure metal, for comparison. In addition, the melting point for both the pure metal and the alloy, as predicted by the potential, has been determined and a comparison between the efficiency of vacancy and interstitial mechanisms for diffusion has been performed. This study allows the validity of the potential to be checked against experimental data outside its fitting range, while providing some insight into the description that this potential gives of irradiation effects. A correct prediction of the diffusivity of solute atoms at high temperature and the melting point are indeed an important pre-requisite for a correct prediction of ion mixing and point defect clustering within a displacement cascade during the thermal spike phase. The conclusion of the study is that the present potential is capable of reproducing with excellent accuracy both the diffusion coefficient and the melting point in Fe and in the Fe-Cr alloy. Atomic diffusion through interstitials is also seen to be a more efficient mechanism than through vacancies in the materials considered.

  1. Microfabrication of gold wires for atom guides

    OpenAIRE

    Kukharenka, Elena; Moktadir, Zak; Kraft, Michael; Abdelsalam, M. E.; Bagnall, Darren; Vale, C.; Jones, M.P.A.; Hinds, E. A.

    2004-01-01

    Miniaturised atom optics is a new field allowing the control of cold atoms in microscopic magnetic traps and waveguides. Using microstructures (hereafter referred to as atom chips), the control of cold atoms on the micrometer scale becomes possible. Applications range from integrated atom interferometers to the realisation of quantum gates. The implementation of such structures requires high magnetic field gradients. The motivation of this work was to develop a suitable ...

  2. Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection

    Directory of Open Access Journals (Sweden)

    Toofanny Rudesh D

    2011-08-01

    Full Text Available Abstract Background Molecular dynamics (MD simulations offer the ability to observe the dynamics and interactions of both whole macromolecules and individual atoms as a function of time. Taken in context with experimental data, atomic interactions from simulation provide insight into the mechanics of protein folding, dynamics, and function. The calculation of atomic interactions or contacts from an MD trajectory is computationally demanding and the work required grows exponentially with the size of the simulation system. We describe the implementation of a spatial indexing algorithm in our multi-terabyte MD simulation database that significantly reduces the run-time required for discovery of contacts. The approach is applied to the Dynameomics project data. Spatial indexing, also known as spatial hashing, is a method that divides the simulation space into regular sized bins and attributes an index to each bin. Since, the calculation of contacts is widely employed in the simulation field, we also use this as the basis for testing compression of data tables. We investigate the effects of compression of the trajectory coordinate tables with different options of data and index compression within MS SQL SERVER 2008. Results Our implementation of spatial indexing speeds up the calculation of contacts over a 1 nanosecond (ns simulation window by between 14% and 90% (i.e., 1.2 and 10.3 times faster. For a 'full' simulation trajectory (51 ns spatial indexing reduces the calculation run-time between 31 and 81% (between 1.4 and 5.3 times faster. Compression resulted in reduced table sizes but resulted in no significant difference in the total execution time for neighbour discovery. The greatest compression (~36% was achieved using page level compression on both the data and indexes. Conclusions The spatial indexing scheme significantly decreases the time taken to calculate atomic contacts and could be applied to other multidimensional neighbor discovery

  3. Microwave Digestion and Furnace Atomic Absorption Method for the Quantification of Nano-scale TiO2 in Aqueous Samples

    Science.gov (United States)

    Many nanomaterials posses physical, and potentially biological, activity that is unique relative to their macro-scaled or soluble forms. One such property is surface plasmon resonance; a phenomenon that can generate or facilitate photoreactivity. Optimization of these properties ...

  4. Atomic-scale and pit-free flattening of GaN by combination of plasma pretreatment and time-controlled chemical mechanical polishing

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Hui; Endo, Katsuyoshi; Yamamura, Kazuya, E-mail: yamamura@upst.eng.osaka-u.ac.jp [Research Center for Ultra-precision Science and Technology, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

    2015-08-03

    Chemical mechanical polishing (CMP) combined with atmospheric-pressure plasma pretreatment was applied to a GaN (0001) substrate. The irradiation of a CF{sub 4}-containing plasma was proven to be very useful for modifying the surface of GaN. When CMP was conducted on a plasma-irradiated surface, a modified layer of GaF{sub 3} acted as a protective layer on GaN by preventing the formation of etch pits. Within a short duration (8 min) of CMP using a commercially available CeO{sub 2} slurry, an atomically flat surface with a root mean square (rms) roughness of 0.11 nm was obtained. Moreover, etch pits, which are inevitably introduced in conventional CMP, could not be observed at the dislocation sites on the polished GaN surface. It was revealed that CMP combined with the plasma pretreatment was very effective for obtaining a pit-free and atomically flat GaN surface.

  5. Atomic collisions involving pulsed positrons

    DEFF Research Database (Denmark)

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

    2000-01-01

    Conventional slow positron beams have been widely and profitably used to study atomic collisions and have been instrumental in understanding the dynamics of ionization. The next generation of positron atomic collision studies are possible with the use of charged particle traps. Not only can large...... 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....

  6. Direct observation of a long-lived single-atom catalyst chiseling atomic structures in graphene.

    Science.gov (United States)

    Wang, Wei Li; Santos, Elton J G; Jiang, Bin; Cubuk, Ekin Dogus; Ophus, Colin; Centeno, Alba; Pesquera, Amaia; Zurutuza, Amaia; Ciston, Jim; Westervelt, Robert; Kaxiras, Efthimios

    2014-02-12

    Fabricating stable functional devices at the atomic scale is an ultimate goal of nanotechnology. In biological processes, such high-precision operations are accomplished by enzymes. A counterpart molecular catalyst that binds to a solid-state substrate would be highly desirable. Here, we report the direct observation of single Si adatoms catalyzing the dissociation of carbon atoms from graphene in an aberration-corrected high-resolution transmission electron microscope (HRTEM). The single Si atom provides a catalytic wedge for energetic electrons to chisel off the graphene lattice, atom by atom, while the Si atom itself is not consumed. The products of the chiseling process are atomic-scale features including graphene pores and clean edges. Our experimental observations and first-principles calculations demonstrated the dynamics, stability, and selectivity of such a single-atom chisel, which opens up the possibility of fabricating certain stable molecular devices by precise modification of materials at the atomic scale.

  7. Atomic diffusion in metal poor stars The influence on the Main Sequence fitting distance scale, subdwarfs ages and the value of Delta Y/DeltaZ

    CERN Document Server

    Salaris, M; Weiss, A

    2000-01-01

    The effect of atomic diffusion on the Main Sequence (MS) of metal-poor low mass stars is investigated. Since diffusion alters the stellar surface chemical abundances with respect to their initial values, one must ensure - by calibrating the initial chemical composition of the theoretical models - that the surface abundances of the models match the observed ones of the stellar population under scrutiny. Since the observed surface abundances of subdwarfs are different from the initial ones due to the effect of diffusion, while the globular clusters stellar abundances are measured in Red Giants, which have practically recovered their initial abundances after the dredge-up, the isochrones to be employed for studying globular clusters and Halo subdwarfs with the same observational value of [Fe/H] are different and do not coincide. We find, however,that the current MS-fitting distances derived from HIPPARCOS subdwarfs using colour corrections from standard isochrones are basically unaltered when diffusion is taken ...

  8. $T^3$-interferometer for atoms

    CERN Document Server

    Zimmermann, M; Roura, A; Schleich, W P; DeSavage, S A; Davis, J P; Srinivasan, A; Narducci, F A; Werner, S A; Rasel, E M

    2016-01-01

    The quantum mechanical propagator of a massive particle in a linear gravitational potential derived already in 1927 by Earle H. Kennard \\cite{Kennard,Kennard2} contains a phase that scales with the third power of the time $T$ during which the particle experiences the corresponding force. Since in conventional atom interferometers the internal atomic states are all exposed to the same acceleration $a$, this $T^3$-phase cancels out and the interferometer phase scales as $T^2$. In contrast, by applying an external magnetic field we prepare two different accelerations $a_1$ and $a_2$ for two internal states of the atom, which translate themselves into two different cubic phases and the resulting interferometer phase scales as $T^3$. We present the theoretical background for, and summarize our progress towards experimentally realizing such a novel atom interferometer.

  9. Atomic secrecy

    International Nuclear Information System (INIS)

    An article, The H-Bomb Secret: How We Got It, Why We're Telling It, by Howard Morland was to be published in The Progressive magazine in February, 1979. The government, after learning of the author's and the editors' intention to publish the article and failing to persuade them to voluntarily delete about 20% of the text and all of the diagrams showing how an H-bomb works, requested a court injunction against publication. Acting under the Atomic Energy Act of 1954, US District Court Judge Robert W. Warren granted the government's request on March 26. Events dealing with the case are discussed in this publication. Section 1, Progressive Hydrogen Bomb Case, is discussed under the following: Court Order Blocking Magazine Report; Origins of the Howard Morland Article; Author's Motives, Defense of Publication; and Government Arguments Against Disclosure. Section 2, Access to Atomic Data Since 1939, contains information on need for secrecy during World War II; 1946 Atomic Energy Act and its effects; Soviet A-Bomb and the US H-Bomb; and consequences of 1954 Atomic Energy Act. Section 3, Disputed Need for Atomic Secrecy, contains papers entitled: Lack of Studies on H-Bomb Proliferation; Administration's Position on H-Bombs; and National Security Needs vs Free Press

  10. On the setting change of scaling factors for the homogeneous solidified wastes from Tsuruga Plant I of Japan Atomic Power Company

    International Nuclear Information System (INIS)

    Following a request from business operator for confirmation of the generated wastes and their point of view, necessary observation data and required information, JNES (Japan Nuclear Energy Safety Organization) examined the adaptability to the guidelines and regulations of the proposal for changing the scaling factors of Strontium 90 in the homogeneous solidified wastes (concentrated effluent solidified with asphalt) generated from Tsuruga Plant I during 2004-2005. The availability of the proposal is agreed in this report. (S. Ohno)

  11. Chiral atomically thin films

    Science.gov (United States)

    Kim, Cheol-Joo; Sánchez-Castillo, A.; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm-1) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra.

  12. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    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

  13. Characterization of surface oxides on water-atomized steel powder by XPS/AES depth profiling and nano-scale lateral surface analysis

    Science.gov (United States)

    Chasoglou, D.; Hryha, E.; Norell, M.; Nyborg, L.

    2013-03-01

    Characterization of oxide products on the surface of water-atomized steel powder is essential in order to determine the reducing conditions required for their removal during the sintering stage which in turn will result in improved mechanical properties. Pre-alloyed powder with 3 wt% Cr and 0.5 wt% Mo was chosen as the model material. Investigation of the powder surface characteristics with regard to composition, morphology, size and distribution of surface oxides was performed using X-ray photoelectron spectroscopy, Auger electron spectroscopy and high resolution scanning electron microscopy combined with X-ray microanalysis. The analysis revealed that the powder is covered by a homogeneous (˜6 nm thick) Fe-oxide layer to ˜94% whereas the rest is covered by fine particulate features with the size below 500 nm. These particulates were further analyzed and were divided into three main categories (i) Cr-based oxides with simultaneous presence of nitrogen, (ii) Si-based oxides of "hemispherical" shape and (iii) agglomerates of the afore mentioned oxides.

  14. Doping Scheme of Semiconducting Atomic Chains

    Science.gov (United States)

    Toshishige, Yamada; Saini, Subhash (Technical Monitor)

    1998-01-01

    Atomic chains, precise structures of atomic scale created on an atomically regulated substrate surface, are candidates for future electronics. A doping scheme for intrinsic semiconducting Mg chains is considered. In order to suppress the unwanted Anderson localization and minimize the deformation of the original band shape, atomic modulation doping is considered, which is to place dopant atoms beside the chain periodically. Group I atoms are donors, and group VI or VII atoms are acceptors. As long as the lattice constant is long so that the s-p band crossing has not occurred, whether dopant atoms behave as donors or acceptors is closely related to the energy level alignment of isolated atomic levels. Band structures are calculated for Br-doped (p-type) and Cs-doped (n-type) Mg chains using the tight-binding theory with universal parameters, and it is shown that the band deformation is minimized and only the Fermi energy position is modified.

  15. Atomic diffusion in metal poor stars. The influence on the Main Sequence fitting distance scale, subdwarfs ages and the value of Delta Y/ Delta Z

    Science.gov (United States)

    Salaris, M.; Groenewegen, M. A. T.; Weiss, A.

    2000-03-01

    The effect of atomic diffusion on the Main Sequence (MS) of metal-poor low mass stars is investigated. Since diffusion alters the stellar surface chemical abundances with respect to their initial values, one must ensure - by calibrating the initial chemical composition of the theoretical models - that the surface abundances of the models match the observed ones of the stellar population under scrutiny. When properly calibrated, our models with diffusion reproduce well within the errors the Hertzsprung-Russell diagram of Hipparcos subdwarfs with empirically determined T_eff values and high resolution spectroscopical [Fe/H] determinations. Since the observed surface abundances of subdwarfs are different from the initial ones due to the effect of diffusion, while the globular clusters stellar abundances are measured in Red Giants, which have practically recovered their initial abundances after the dredge-up, the isochrones to be employed for studying globular clusters and Halo subdwarfs with the same observational value of [Fe/H] are different and do not coincide. This is at odds with the basic assumption of the MS-fitting technique for distance determinations. However, the use of the rather large sample of Hipparcos lower MS subdwarfs with accurate parallaxes keeps at minimum the effect of these differences, for two reasons. First, it is possible to use subdwarfs with observed [Fe/H] values close to the cluster one; this minimizes the colour corrections (which are derived from the isochrones) needed to reduce all the subdwarfs to a mono-metallicity sequence having the same [Fe/H] than the cluster. Second, one can employ objects sufficiently faint so that the differences between the subdwarfs and cluster MS with the same observed value of [Fe/H] are small (they increase for increasing luminosity). We find therefore that the distances based on standard isochrones are basically unaltered when diffusion is taken properly into account. On the other hand, the absolute ages

  16. Atomic arias

    Science.gov (United States)

    Crease, Robert P.

    2009-01-01

    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.

  17. Atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Livingston, A.E.; Kukla, K.; Cheng, S. [Univ. of Toledo, OH (United States)] [and others

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  18. Experiments in cold atom optics towards precision atom interferometry

    Science.gov (United States)

    Aveline, David C.

    Atom optics has been a highly active field of research with many scientific breakthroughs over the past two decades, largely due to successful advances in laser technology, microfabrication techniques, and the development of laser cooling and trapping of neutral atoms. This dissertation details several atom optics experiments with the motivation to develop tools and techniques for precision atom wave interferometry. It provides background information about atom optics and the fundamentals behind laser cooling and trapping, including basic techniques for cold gas thermometry and absorptive detection of atoms. A brief overview of magnetic trapping and guiding in tight wire-based traps is also provided before the experimental details are presented. We developed a novel laser source of 780 nm light using frequency-doubled 1560 nm fiber amplifier. This laser system provided up to a Watt of tunable frequency stabilized light for two Rb laser cooling and trapping experiments. One system generates Bose-Einstein condensates in an optical trap while the second is based on atom chip magnetic traps. The atom chip system, detailed in this thesis, was designed and built to develop the tools necessary for transport and loading large numbers of cold atoms and explore the potential for guided atom interferometry. Techniques and results from this experiment are presented, including an efficient magnetic transport and loading method to deliver cold atom to atom chip traps. We also developed a modeling tool for the magnetic fields formed by coiled wire geometries, as well as planar wire patterns. These models helped us design traps and determine adiabatic transportation of cold atoms between macro-scale traps and micro-traps formed on atom chips. Having achieved near unity transfer efficiency, we demonstrated that this approach promises to be a consistent method for loading large numbers of atoms into micro-traps. Furthermore, we discuss an in situ imaging technique to investigate

  19. Development of single-crystal diamond scanning probes with nitrogen-vacancy centers for cryogenic magnetometry with nanoscale spatial resolution

    Science.gov (United States)

    Jenkins, Alec; Pelliccione, Matthew; Ovartchaiyapong, Preeti; Reetz, Christopher; Bleszynski Jayich, Ania

    Scanning probes based on the nitrogen-vacancy (NV) defect center in diamond are powerful tools for imaging magnetic phenomena at the nanoscale. In particular, extending the operation of these probes to cryogenic temperatures opens up a wide range of condensed matter systems that can be studied. In this talk, we demonstrate a variable temperature NV scanning magnetometer consisting of an atomic-force microscope housed in a closed-cycle cryostat integrated with custom confocal optics. With this microscope we have observed 6-nm spatial resolution and 3 μT /√{Hz} sensitivity at T = 6 K. The single-crystal diamond scanning probes that contain shallow and coherent NV centers are critical to the performance of the microscope. The probes are designed with the aim of reducing the NV-sample separation and increasing collection of NV fluorescence, both while maintaining the spin coherence properties of the defects. We describe the fabrication of these probes as well as ongoing efforts to improve their sensitivity and spatial resolution.

  20. Manifestations of dark matter and variations of fundamental constants in atoms and astrophysical phenomena

    CERN Document Server

    Stadnik, Y V

    2015-01-01

    We present an overview of recent developments in the detection of light bosonic dark matter, including axion, pseudoscalar axion-like and scalar dark matter, which form either a coherently oscillating classical field or topological defects (solitons). We emphasise new high-precision laboratory and astrophysical measurements, in which the sought effects are linear in the underlying interaction strength between dark matter and ordinary matter, in contrast to traditional detection schemes for dark matter, where the effects are quadratic or higher order in the underlying interaction parameters and are extremely small. New terrestrial experiments include measurements with atomic clocks, spectroscopy, atomic and solid-state magnetometry, torsion pendula, ultracold neutrons, and laser interferometry. New astrophysical observations include pulsar timing, cosmic radiation lensing, Big Bang nucleosynthesis and cosmic microwave background measurements. We also discuss various recently proposed mechanisms for the inducti...

  1. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

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

    2005-01-01

    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.

  2. Dephasing dynamics of Rydberg atom spin waves

    CERN Document Server

    Bariani, F; Kennedy, T A B

    2012-01-01

    A theory of Rydberg atom interactions is used to derive analytical forms for the spin wave pair correlation function in laser-excited cold-atom vapors. This function controls the quantum statistics of light emission from dense, inhomogeneous clouds of cold atoms of various spatial dimensionalities. The results yield distinctive scaling behaviors on the microsecond timescale, including generalized exponential decay. A detailed comparison is presented with a recent experiment on a cigar-shaped atomic ensemble [Y. Dudin and A. Kuzmich, Science 336, 887 (2012)], in which Rb atoms are excited to a set of Rydberg levels.

  3. Entanglement enhanced atomic gyroscope

    CERN Document Server

    Cooper, J J; Dunningham, J A

    2010-01-01

    The advent of increasingly precise gyroscopes has played a key role in the technological development of navigation systems. Ring-laser and fibre-optic gyroscopes, for example, are widely used in modern inertial guidance systems and rely on the interference of unentangled photons to measure mechanical rotation. The sensitivity of these devices scales with the number of particles used as $1/ \\sqrt{N}$. Here we demonstrate how, by using sources of entangled particles, it is possible to do better and even achieve the ultimate limit allowed by quantum mechanics where the precision scales as 1/N. We propose a gyroscope scheme that uses ultra-cold atoms trapped in an optical ring potential.

  4. Rydberg atoms in ultracold plasmas

    Science.gov (United States)

    Rolston, Steven

    2009-05-01

    Ultracold plasmas are formed through the photoionization of laser-cooled atoms, or spontaneous ionization of a dense cloud of Rydberg atoms or now molecules[1]. Ultracold plasmas are inherently metastable, as the ions and electrons would be in a lower energy state bound together as atoms. The dominant process of atom formation in these plasmas is three-body recombination, a collision between two electrons and an ion that leads to the formation of a Rydberg atom. This collisional process is not only important in determining the lifetime and density of the plasma, but is also critical in determining the time evolution of the temperature. The formation of the Rydberg atoms is accompanied by an increase in electron energy for the extra electron in the collision, and is a source of heating in these plasmas. Classical three-body recombination theory scales as T-9/2, and thus as a plasma cools due to a process such as adiabatic expansion, recombination-induced heating turns on, limiting the temperature [2]. The Rydberg atoms formed live in the plasma and contribute to the temperature dynamics, as collisions with plasma electrons can change the principal quantum number of the Rydberg atom, driving it to more tightly bound states (a source of plasma heating) or to higher states (a source of plasma cooling). If the plasma is cold and dense enough to be strongly coupled, classical three-body recombination theory breaks down. Recent theoretical work [3] suggests that the rate limits as the plasma gets strongly coupled. I will review the role of Rydberg atoms in ultracold plasmas and prospects for probing Rydberg collisions in the strongly coupled environment. [4pt] [1] J. P. Morrison, et al., Phys. Rev. Lett. 101, 205005 (2008 [0pt] [2] R. S. Fletcher, X. Zhang, and S. L. Rolston, Phys. Rev. Lett. 99, 145001 (2007 [0pt] [3] T. Pohl, private communication.

  5. "Bohr's Atomic Model."

    Science.gov (United States)

    Willden, Jeff

    2001-01-01

    "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…

  6. Atomic Energy Basics, Understanding the Atom Series.

    Science.gov (United States)

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

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

    KAUST Repository

    Zhang, Yuan

    2013-12-24

    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.

  8. Modelling at the atomic scale of the irradiation effects in SiC: example of the stability of the Frenkel pairs and of the swelling due to the amorphization

    International Nuclear Information System (INIS)

    The evolution of the structural and mechanical properties due to the defects induced by irradiation is an important problem for nuclear materials. The modelling at the atomic scale can bring pertinent data difficult to obtain experimentally on the implied processes. Several atomistic modelling studies on the behaviour of silicon carbide under irradiation have been carried out. Here are presented two examples of these studies. The first example is the study by the density functional method of the stability and of the recombination of the Frenkel pairs in the cubic silicon carbide. The use of this method called 'ab initio' allows to determine the energies and the geometries of these defects with a very good accuracy. The thermodynamic stability of the Frenkel pairs has been determined and compared to those of the intrinsic point defects. The recombination kinetics has then been studied by the calculation of the implied activation energies. With the migration mechanisms, the recombination processes plays indeed an essential role in the annealing of materials during and after irradiation. The second example is the study by classical molecular dynamics of the swelling due to amorphization in silicon carbide. The irradiation is modelled in two successive steps: (a)creation at a constant volume of an amorphous zone of structure, of variable size and shape (b)relaxation in volume allowing the swelling. The swelling is then determined in terms of the amorphous material fraction, and an elaborated analysis of the created disorder is carried out. These results are compared in one part to the RBS analyses results of implanted materials available in literature, and in another part with an elastic model. For that, two different definitions of the amorphous fraction are used. (O.M.)

  9. Dispersive nanoSQUID magnetometry

    Science.gov (United States)

    Levenson-Falk, E. M.; Antler, N.; Siddiqi, I.

    2016-11-01

    We describe the theory and implementation of a dispersive magnetometer based on an aluminum nanoSQUID. The nanoSQUID consists of a superconducting loop interrupted by two variable-thickness weak-link nanobridge Josephson junctions. When the nanoSQUID is placed in parallel with a lumped-element capacitor, it acts as the inductive element in a resonant tank circuit. By performing microwave reflectometry on the circuit, the SQUID inductance can be measured, providing a sensitive meter of the flux threading the SQUID loop. In this review we provide the theoretical basis for the device, describe design and operation considerations, and present characterization results on several devices.

  10. Teach us atom structure

    International Nuclear Information System (INIS)

    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.

  11. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon

    2006-08-15

    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.

  12. An all-optical vector atomic magnetometer for fundamental physics applications

    Science.gov (United States)

    Wurm, David; Mateos, Ignacio; Zhivun, Elena; Patton, Brian; Fierlinger, Peter; Beck, Douglas; Budker, Dmitry

    2014-05-01

    We have developed a laboratory prototype of a compact all-optical vector magnetometer. Due to their high precision and absolute accuracy, atomic magnetometers are crucial sensors in fundamental physics experiments which require extremely stable magnetic fields (e.g., neutron EDM searches). This all-optical sensor will allow high-resolution measurements of the magnitude and direction of a magnetic field without perturbing the magnetic environment. Moreover, its absolute accuracy makes it calibration-free, an advantage in space applications (e.g., space-based gravitational-wave detection). Magnetometry in precision experiments or space applications also demands long-term stability and well-understood noise characteristics at frequencies below 10-4 Hz. We have characterized the low-frequency noise floor of this sensor and will discuss methods to improve its long-time performance.

  13. Impurity atoms on view in cuprates

    Directory of Open Access Journals (Sweden)

    J.C. Séamus Davis

    2002-04-01

    Full Text Available Impurity atoms in a material are usually viewed as a problem because they can result in non-ideal properties. However, they can sometimes be used to advantage when attempting to understand new materials. This is because the interactions of an impurity atom with the material reveal detailed information on the local electronic environment. In this paper we discuss scanning tunneling microscopy studies of the atomic-scale effects of individual Ni and Zn impurity atoms on the cuprate high critical temperature superconductors.

  14. Atomic phase diagram

    Institute of Scientific and Technical Information of China (English)

    LI Shichun

    2004-01-01

    Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.

  15. Atomic iodine laser

    International Nuclear Information System (INIS)

    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

  16. MULTIPHOTON IONIZATION OF ATOMS

    OpenAIRE

    Mainfray, G.

    1985-01-01

    Multiphoton ionization of one-electron atoms, such as atomic hydrogen and alkaline atoms, is well understood and correctly described by rigorous theoretical models. The present paper will be devoted to collisionless multiphoton ionization of many-electron atoms as rare gases. It induces removal of several electrons and the production of multiply charged ions. Up to Xe5+ ions are produced in Xe atoms. Doubly charged ions can be produced, either by simultaneous excitation of two electrons, or b...

  17. Stable atomic hydrogen: Polarized atomic beam source

    International Nuclear Information System (INIS)

    We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

  18. Atomic physics in strong fields

    International Nuclear Information System (INIS)

    This report discusses the following topics: nonadiabatic geometric phases of multiphoton transitions; nonperturbative treatments of level shifts of excited states in strong fields; multiple high-order harmonic generation in intense laser fields; quantum fractal character of quasi-energy states in multi-color fields; complex- scaling Fourier-grid Hamiltonian method for intense-field multiphoton resonances; and microwave driven multiphoton excitation dynamics in Rydberg atoms: Fast Fourier transformation propagation method

  19. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

    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...

  20. THE ORNL ATOM PROBE

    OpenAIRE

    Miller, M

    1986-01-01

    The ORNL Atom Probe is a microanalytical tool for studies in materials science. The instrument is a combination of a customized version of the vacuum system of the VG FIM-100 atom probe, an ORNL-designed microcomputer-controlled digital timing system, and a double curved CEMA Imaging Atom Probe detector. The atom probe combines four instruments into one - namely a field ion microscope, an energy compensated time-of-flight mass spectrometer, an imaging atom probe, and a pulsed laser atom probe.

  1. Similarity criterion of flood discharge atomization

    Institute of Scientific and Technical Information of China (English)

    Zhou Hui; Wu Shiqiang; Chen Huiling; Zhou Jie; Wu Xiufeng

    2008-01-01

    By combining the results of prototype observation of flood discharge atomization at the Wujiangdu Hydropower Station, and by adopting the serial model test method, the model scale effect was examined, the influences of the Reynolds and Weber numbers of water flow on the rain intensity of flood discharge atomization were analyzed and a rain intensity conversion relation was established. It is demonstrated that the level of atomization follows the geometric similarity relations and it is possible to ignore the influence of the surface tension of the flow when the Weber number is greater than 500. Despite limitations such as incomplete data sets, it is undoubtedly helpful to study the scale effect of atomization flow, and it is beneficial to identify the rules of the model test results in order to extrapolate to prototype prediction.

  2. Atomic clocks based on adaptive phase measurements with entangled atoms

    Science.gov (United States)

    Andre, Axel; Sorensen, Anders; Lukin, Mikhail

    2005-05-01

    We show that the frequency stability of atomic clocks limited by local oscillator frequency fluctuations [1] can be greatly improved by using an adaptive measurement strategy with entangled atoms. Our method uses multiple atomic sub-ensembles with various degrees of spin-squeezing and sequential adaptive measurements of the Ramsey phase. With properly optimized degree of squeezing, this method reaches the Heisenberg limit for phase measurements δφ˜1/N, where N is the number of atoms. In addition, we show that multiple interrogation times for these sub-ensembles can be used to improve the long-term stability of the clock. This method allows one to use a very long interrogation time, limited only by environmental fluctuations. The combination of the above two methods leads to an ultimate long-term frequency stability of the clock scaling as σy(τ)=A. Andr'e, A. S. Sørensen, and M. D. Lukin, Phys. Rev. Lett. 92, 230801 (2004).

  3. Presenting the Bohr Atom.

    Science.gov (United States)

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  4. Realization of a Strained Atomic Wire Superlattice.

    Science.gov (United States)

    Song, Inkyung; Goh, Jung Suk; Lee, Sung-Hoon; Jung, Sung Won; Shin, Jin Sung; Yamane, Hiroyuki; Kosugi, Nobuhiro; Yeom, Han Woong

    2015-11-24

    A superlattice of strained Au-Si atomic wires is successfully fabricated on a Si surface. Au atoms are known to incorporate into the stepped Si(111) surface to form a Au-Si atomic wire array with both one-dimensional (1D) metallic and antiferromagnetic atomic chains. At a reduced density of Au, we find a regular array of Au-Si wires in alternation with pristine Si nanoterraces. Pristine Si nanoterraces impose a strain on the neighboring Au-Si wires, which modifies both the band structure of metallic chains and the magnetic property of spin chains. This is an ultimate 1D version of a strained-layer superlattice of semiconductors, defining a direction toward the fine engineering of self-assembled atomic-scale wires. PMID:26446292

  5. Coupling cold atoms with mechanical oscillators

    Science.gov (United States)

    Montoya, Cris; Valencia, Jose; Geraci, Andrew; Eardley, Matthew; Kitching, John

    2014-05-01

    Macroscopic systems, coupled to quantum systems with well understood coherence properties, can enable the study of the boundary between quantum microscopic phenomena and macroscopic systems. Ultra-cold atoms can be probed and manipulated with micro-mechanical resonators that provide single-spin sensitivity and sub-micron spatial resolution, facilitating studies of decoherence and quantum control. In the future, hybrid quantum systems consisting of cold atoms interfaced with mechanical devices may have applications in quantum information science. We describe our experiment to couple laser-cooled Rb atoms to a magnetic cantilever tip. This cantilever is precisely defined on the surface of a chip with lithography and the atoms are trapped at micron-scale distances from this chip. To match cantilever mechanical resonances, atomic magnetic resonances are tuned with a magnetic field.

  6. Ultracold atoms and the Functional Renormalization Group

    OpenAIRE

    Boettcher, Igor; Pawlowski, Jan M.; Diehl, Sebastian

    2012-01-01

    We give a self-contained introduction to the physics of ultracold atoms using functional integral techniques. Based on a consideration of the relevant length scales, we derive the universal effective low energy Hamiltonian describing ultracold alkali atoms. We then introduce the concept of the effective action, which generalizes the classical action principle to full quantum status and provides an intuitive and versatile tool for practical calculations. This framework is applied to weakly int...

  7. A magnetic atomic laminate from thin film synthesis: (Mo{sub 0.5}Mn{sub 0.5}){sub 2}GaC

    Energy Technology Data Exchange (ETDEWEB)

    Meshkian, R., E-mail: rahele.meshkian@liu.se; Ingason, A. S.; Lu, J.; Rosen, J. [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Arnalds, U. B. [Science Institute, University of Iceland, IS-107 Reykjavik (Iceland); Magnus, F. [Department of Physics and Astronomy, Uppsala University, Box 516, SE-516 Uppsala (Sweden)

    2015-07-01

    We present synthesis and characterization of a new magnetic atomic laminate: (Mo{sub 0.5}Mn{sub 0.5}){sub 2}GaC. High quality crystalline films were synthesized on MgO(111) substrates at a temperature of ∼530 °C. The films display a magnetic response, evaluated by vibrating sample magnetometry, in a temperature range 3-300 K and in a field up to 5 T. The response ranges from ferromagnetic to paramagnetic with change in temperature, with an acquired 5T-moment and remanent moment at 3 K of 0.66 and 0.35 μ{sub B} per metal atom (Mo and Mn), respectively. The remanent moment and the coercive field (0.06 T) exceed all values reported to date for the family of magnetic laminates based on so called MAX phases.

  8. Antiprotonic Helium Atoms

    OpenAIRE

    Kartavtsev, O. I.

    1995-01-01

    Metastable antiprotonic helium atoms $^{3,4}\\! H\\! e\\bar pe$ have been discovered recently in experiments of the delayed annihilation of antiprotons in helium media. These exotic atoms survive for an enormous time (about tens of microseconds) and carry the extremely large total angular momentum $L\\sim 30-40$. The theoretical treatment of the intrinsic properties of antiprotonic helium atoms, their formation and collisions with atoms and molecules is discussed.

  9. Atomizing nozzle and process

    Science.gov (United States)

    Anderson, Iver E.; Figliola, Richard S.; Molnar, Holly M.

    1992-06-30

    High pressure atomizing nozzle includes a high pressure gas manifold having a divergent expansion chamber between a gas inlet and arcuate manifold segment to minimize standing shock wave patterns in the manifold and thereby improve filling of the manifold with high pressure gas for improved melt atomization. The atomizing nozzle is especially useful in atomizing rare earth-transition metal alloys to form fine powder particles wherein a majority of the powder particles exhibit particle sizes having near-optimum magnetic properties.

  10. Atoms Talking to SQUIDs

    CERN Document Server

    Hoffman, J E; Kim, Z; Wood, A K; Anderson, J R; Dragt, A J; Hafezi, M; Lobb, C J; Orozco, L A; Rolston, S L; Taylor, J M; Vlahacos, C P; Wellstood, F C

    2011-01-01

    We present a scheme to couple trapped $^{87}$Rb atoms to a superconducting flux qubit through a magnetic dipole transition. We plan to trap atoms on the evanescent wave outside an ultrathin fiber to bring the atoms to less than 10 $\\mu$m above the surface of the superconductor. This hybrid setup lends itself to probing sources of decoherence in superconducting qubits. Our current plan has the intermediate goal of coupling the atoms to a superconducting LC resonator.

  11. Atomic Spectra Database (ASD)

    Science.gov (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.

  12. HAADF-STEM atom counting in atom probe tomography specimens: Towards quantitative correlative microscopy.

    Science.gov (United States)

    Lefebvre, W; Hernandez-Maldonado, D; Moyon, F; Cuvilly, F; Vaudolon, C; Shinde, D; Vurpillot, F

    2015-12-01

    The geometry of atom probe tomography tips strongly differs from standard scanning transmission electron microscopy foils. Whereas the later are rather flat and thin (atom probe tomography specimens. Based on simulations (electron probe propagation and image simulations), the possibility to apply quantitative high angle annular dark field scanning transmission electron microscopy to of atom probe tomography specimens has been tested. The influence of electron probe convergence and the benefice of deconvolution of electron probe point spread function electron have been established. Atom counting in atom probe tomography specimens is for the first time reported in this present work. It is demonstrated that, based on single projections of high angle annular dark field imaging, significant quantitative information can be used as additional input for refining the data obtained by correlative analysis of the specimen in APT, therefore opening new perspectives in the field of atomic scale tomography.

  13. Deterministically Entangling Two Remote Atomic Ensembles via Light-Atom Mixed Entanglement Swapping.

    Science.gov (United States)

    Liu, Yanhong; Yan, Zhihui; Jia, Xiaojun; Xie, Changde

    2016-01-01

    Entanglement of two distant macroscopic objects is a key element for implementing large-scale quantum networks consisting of quantum channels and quantum nodes. Entanglement swapping can entangle two spatially separated quantum systems without direct interaction. Here we propose a scheme of deterministically entangling two remote atomic ensembles via continuous-variable entanglement swapping between two independent quantum systems involving light and atoms. Each of two stationary atomic ensembles placed at two remote nodes in a quantum network is prepared to a mixed entangled state of light and atoms respectively. Then, the entanglement swapping is unconditionally implemented between the two prepared quantum systems by means of the balanced homodyne detection of light and the feedback of the measured results. Finally, the established entanglement between two macroscopic atomic ensembles is verified by the inseparability criterion of correlation variances between two anti-Stokes optical beams respectively coming from the two atomic ensembles. PMID:27165122

  14. Deterministically Entangling Two Remote Atomic Ensembles via Light-Atom Mixed Entanglement Swapping

    Science.gov (United States)

    Liu, Yanhong; Yan, Zhihui; Jia, Xiaojun; Xie, Changde

    2016-05-01

    Entanglement of two distant macroscopic objects is a key element for implementing large-scale quantum networks consisting of quantum channels and quantum nodes. Entanglement swapping can entangle two spatially separated quantum systems without direct interaction. Here we propose a scheme of deterministically entangling two remote atomic ensembles via continuous-variable entanglement swapping between two independent quantum systems involving light and atoms. Each of two stationary atomic ensembles placed at two remote nodes in a quantum network is prepared to a mixed entangled state of light and atoms respectively. Then, the entanglement swapping is unconditionally implemented between the two prepared quantum systems by means of the balanced homodyne detection of light and the feedback of the measured results. Finally, the established entanglement between two macroscopic atomic ensembles is verified by the inseparability criterion of correlation variances between two anti-Stokes optical beams respectively coming from the two atomic ensembles.

  15. Deterministically Entangling Two Remote Atomic Ensembles via Light-Atom Mixed Entanglement Swapping.

    Science.gov (United States)

    Liu, Yanhong; Yan, Zhihui; Jia, Xiaojun; Xie, Changde

    2016-05-11

    Entanglement of two distant macroscopic objects is a key element for implementing large-scale quantum networks consisting of quantum channels and quantum nodes. Entanglement swapping can entangle two spatially separated quantum systems without direct interaction. Here we propose a scheme of deterministically entangling two remote atomic ensembles via continuous-variable entanglement swapping between two independent quantum systems involving light and atoms. Each of two stationary atomic ensembles placed at two remote nodes in a quantum network is prepared to a mixed entangled state of light and atoms respectively. Then, the entanglement swapping is unconditionally implemented between the two prepared quantum systems by means of the balanced homodyne detection of light and the feedback of the measured results. Finally, the established entanglement between two macroscopic atomic ensembles is verified by the inseparability criterion of correlation variances between two anti-Stokes optical beams respectively coming from the two atomic ensembles.

  16. Atomic CP-violating polarizability

    International Nuclear Information System (INIS)

    Searches for CP-violating effects in atoms and molecules provide important constrains on competing extensions to the standard model of elementary particles. In particular, CP violation in an atom leads to the CP-odd (T,P-odd) polarizability βCP: a magnetic moment μCP is induced by an electric field E0 applied to an atom, μCP=βCPE0. We estimate the CP-violating polarizability for rare-gas (diamagnetic) atoms He through Rn. We relate βCP to the permanent electric dipole moment (EDM) of the electron and to the scalar constant of the CP-odd electron-nucleus interaction. The analysis is carried out using the third-order perturbation theory and the Dirac-Hartree-Fock formalism. We find that, as a function of nuclear charge Z, βCP scales steeply as Z5R(Z), where slowly varying R(Z) is a relativistic enhancement factor. Finally, we evaluate the feasibility of setting a limit on electron EDM by measuring CP-violating magnetization of liquid Xe. We find that such an experiment could provide competitive bounds on electron EDM only if the present level of experimental sensitivity to ultraweak magnetic fields [Kominis et al., Nature 422, 596 (2003)] is improved by several orders of magnitude

  17. Atomic CP-violating polarizability

    CERN Document Server

    Ravaine, B; Derevianko, A; Ravaine, Boris; Derevianko, Andrei

    2005-01-01

    Searches for CP violating effects in atoms and molecules provide important constrains on competing extensions to the standard model of elementary particles. In particular, CP violation in an atom leads to the CP-odd (T,P-odd) polarizability $\\beta^\\mathrm{CP}$: a magnetic moment $\\mu^\\mathrm{CP}$ is induced by an electric field $\\mathcal{E}_0$ applied to an atom, $\\mu^\\mathrm{CP} = \\beta^\\mathrm{CP} \\mathcal{E}_0 $. We estimate the CP-violating polarizability for rare-gas (diamagnetic) atoms He through Rn. We relate betaCP to the permanent electric dipole moment (EDM) of the electron and to the scalar constant of the CP-odd electron-nucleus interaction. The analysis is carried out using the third-order perturbation theory and the Dirac-Hartree-Fock formalism. We find that, as a function of nuclear charge Z, betaCP scales steeply as Z^5 R(Z), where slowly-varying R(Z) is a relativistic enhancement factor. Finally, we evaluate a feasibility of setting a limit on electron EDM by measuring CP-violating magnetizat...

  18. Simultaneous negative permittivity and permeability in a coherent atomic vapour

    Institute of Scientific and Technical Information of China (English)

    Shen Jian-Qi

    2007-01-01

    A new quantum optical mechanism to realize simultaneously negative electric permittivity and magnetic permeability is suggested. In order to obtain a negative permeability, we choose a proper atomic configuration that can dramatically enhance the contribution of the magnetic-dipole allowed transition via the atomic phase coherence. It is shown that the atomic system chosen with proper optical parameters can give rise to striking electromagnetic responses (leading to a negative refractive index) and that the atomic vapour becomes a left-handed medium in an optical frequency band. Differing from the previous schemes of artificial composite metamaterials (based on classical electromagnetic theory) to achieve the left-handed materials, which consist of anisotropic millimetre-scale composite structure units, the left-handed atomic vapour presented here is isotropic and homogeneous at the atomic-scale level. Such an advantage may be valuable in realizing the superlens (and hence perfect image) with left-handed atomic vapour.

  19. Programmable solid state atom sources for nanofabrication

    Science.gov (United States)

    Han, Han; Imboden, Matthias; Stark, Thomas; Del Corro, Pablo G.; Pardo, Flavio; Bolle, Cristian A.; Lally, Richard W.; Bishop, David J.

    2015-06-01

    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

  20. Interferometry with atoms

    International Nuclear Information System (INIS)

    Optics and interferometry with matter waves is the art of coherently manipulating the translational motion of particles like neutrons, atoms and molecules. Coherent atom optics is an extension of techniques that were developed for manipulating internal quantum states. Applying these ideas to translational motion required the development of techniques to localize atoms and transfer population coherently between distant localities. In this view position and momentum are (continuous) quantum mechanical degrees of freedom analogous to discrete internal quantum states. In our contribution we start with an introduction into matter wave optics in sect. 1, discuss coherent atom optics and atom interferometry techniques for molecular beams in sect. 2 and for trapped atoms in sect. 3. In sect. 4 we then describe tools and experiments that allow to probe the evolution of quantum states of many-body systems by atom interference.