WorldWideScience

Sample records for atomic shells l

  1. Simultaneous K plus L shell ionized atoms during heavy-ion ...

    Indian Academy of Sciences (India)

    Abstract. The fraction of simultaneous K plus L shell ionized atoms is estimated in Fe,. Co and Cu elements using carbon ions at different projectile energies. The present results indicate that the fraction of simultaneous K plus L shell ionization probability decreases with increase in projectile energy as well as with increase ...

  2. Simultaneous K plus L shell ionized atoms during heavy-ion ...

    Indian Academy of Sciences (India)

    The fraction of simultaneous K plus L shell ionized atoms is estimated in Fe, Co and Cu elements using carbon ions at different projectile energies. The present results indicate that the fraction of simultaneous K plus L shell ionization probability decreases with increase in projectile energy as well as with increase in the ...

  3. Analytical expression for K- and L-shell cross sections of neutral atoms near ionization threshold by electron impact

    Energy Technology Data Exchange (ETDEWEB)

    Campos, C S [Instituto de Geociencias, Centro de Pesquisa em Geologia e GeofIsica, Universidade Federal da Bahia (UFBA), 40170-290 Salvador (Brazil); Vasconcellos, M A Z [Instituto de Fisica, Universidade Federal do Rio Grande do Sul (UFRGS), 91501-970 Porto Alegre, RS (Brazil); Trincavelli, J C [Facultad de Matematica, AstronomIa y Fisica, Universidad Nacional de Cordoba, Ciudad Universitaria, 5000, Cordoba (Argentina); Segui, S [Centro Atomico Bariloche, Comision Nacional de EnergIa Atomica, 8400 San Carlos de Bariloche, RIo Negro (Argentina)

    2007-10-14

    An analytical expression is proposed to describe the K- and L-shell ionization cross sections of neutral atoms by electron impact over a wide range of atomic numbers (4 {<=} Z {<=} 79) and over voltages U < 10. This study is based on the analysis of a calculated ionization cross section database using the distorted-wave first-order Born approximation (DWBA). The expression proposed for cross sections relative to their maximum height involves only two parameters for each atomic shell, with no dependence on the atomic number. On the other hand, it is verified that these parameters exhibit a monotonic behaviour with the atomic number for the absolute ionization cross sections, which allows us to obtain analytical expressions for the latter.

  4. Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.

    Science.gov (United States)

    Erickson, Jeremiah D; Mednikov, Evgueni G; Ivanov, Sergei A; Dahl, Lawrence F

    2016-02-10

    We present the first successful isolation and crystallographic characterization of a Mackay 55-metal-atom two-shell icosahedron, Pd55L12(μ3-CO)20 (L = PPr(i)3) (1). Its two-shell icosahedron of pseudo-Ih symmetry (without isopropyl substituents) enables a structural/bonding comparison with interior 55-metal-atom two-shell icosahedral geometries observed within the multi-shell capped 145-metal-atom three-shell Pd145(CO)72(PEt3)30 and 165-metal-atom four-shell Pt-centered (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ≈ 7) nanoclusters, and within the recently reported four-shell Au133(SC6H4-p-Bu(t))52 nanocluster. DFT calculations carried out on a Pd55(CO)20(PH3)12 model analogue, with triisopropyl phosphine substituents replaced by H atoms, revealed a positive +0.84 e charge for the entire Pd55 core, with a highly positive second-shell Pd42 surface of +1.93 e.

  5. Page 1 L-shell ionization of atoms Table 2. The sources for ...

    Indian Academy of Sciences (India)

    75 L. Salguerio, MT Ramos, M L Escrivao, MC Martins and J G Ferreira, J. Phys. B7,. 342 (1974). 77 M I Marquis, M C Martins, F Parente and J G Ferreira, J. Phys, B26, 1263 (1993). PA Indira, J M Palms and P Venugopala Rao, Z. Phys. A284, 33 (1978). LSalguerio, MT Ramos, M L Escrivao, MC Martins and JG Ferreira, ...

  6. Atomic inner-shell transitions

    Science.gov (United States)

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

    1984-01-01

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

  7. Following electron impact excitations of Rn, Ra, Th, U and Pu single atom L sub-shells ionization cross section calculations by using Lotz’s equation

    Energy Technology Data Exchange (ETDEWEB)

    Ayinol, M., E-mail: aydinolm@dicle.edu.tr [Dicle University, Faculty of Science, Department of Physics, Diyarbakir, 21280 Turkey (Turkey); Aydeniz, D., E-mail: daydeniz@hotmail.com [Artuklu University, At Rectorate of Artuklu University, Mardin (Turkey)

    2016-03-25

    L shell ionization cross section and L{sub i} subshells ionization cross sections of Rn, Ra, Th, U, Pu atoms calculated. For each of atoms, ten different electron impact energy values (E{sub o}) are used. Calculations carried out by using Lotz equation in Matlab. First, calculations done for non-relativistic case by using non-relativistic Lotz equation then repeated with relativistic Lotz equation. σ{sub L} total and σ{sub Li}(i = 1,2,3) subshells ionisation cross section values obtained for E{sub o} values in the energy range of E{sub Li} atom. Starting almost from E{sub o} = E{sub Li} values of the each sub shell ionization threshold energy, σ{sub L} total and σ{sub Li} (i = 1,2,3) are increasing rapidly with E{sub o}. For a fixed E{sub o} = 3.E{sub Li}), while Z increases from 86L and σLi (i = 1, 2,3) are decrease. These results will also help to understand some σ{sub Li}(i = 1,2,3) subshells results obtained from other electron-atom impact studies.

  8. Atomic force microscopy of virus shells.

    Science.gov (United States)

    Moreno-Madrid, Francisco; Martín-González, Natalia; Llauró, Aida; Ortega-Esteban, Alvaro; Hernando-Pérez, Mercedes; Douglas, Trevor; Schaap, Iwan A T; de Pablo, Pedro J

    2017-04-15

    Microscopes are used to characterize small objects with the help of probes that interact with the specimen, such as photons and electrons in optical and electron microscopies, respectively. In atomic force microscopy (AFM), the probe is a nanometric tip located at the end of a microcantilever which palpates the specimen under study just as a blind person manages a walking stick. In this way, AFM allows obtaining nanometric resolution images of individual protein shells, such as viruses, in a liquid milieu. Beyond imaging, AFM also enables not only the manipulation of single protein cages, but also the characterization of every physicochemical property capable of inducing any measurable mechanical perturbation to the microcantilever that holds the tip. In the present revision, we start revising some recipes for adsorbing protein shells on surfaces. Then, we describe several AFM approaches to study individual protein cages, ranging from imaging to spectroscopic methodologies devoted to extracting physical information, such as mechanical and electrostatic properties. We also explain how a convenient combination of AFM and fluorescence methodologies entails monitoring genome release from individual viral shells during mechanical unpacking. © 2017 The Author(s); published by Portland Press Limited on behalf of the Biochemical Society.

  9. Atomic force microscopy of virus shells.

    Science.gov (United States)

    de Pablo, Pedro J

    2017-08-26

    Microscopes are used to characterize small specimens with the help of probes, such as photons and electrons in optical and electron microscopies, respectively. In atomic force microscopy (AFM) the probe is a nanometric tip located at the end of a microcantilever which palpates the specimen under study as a blind person manages a white cane to explore the surrounding. In this way, AFM allows obtaining nanometric resolution images of individual protein shells, such as viruses, in liquid milieu. Beyond imaging, AFM also enables the manipulation of single protein cages, and the characterization of every physico-chemical property able of inducing any measurable mechanical perturbation to the microcantilever that holds the tip. Here we describe several AFM approaches to study individual protein cages, including imaging and spectroscopic methodologies for extracting mechanical and electrostatic properties. In addition, AFM allows discovering and testing the self-healing capabilities of protein cages because occasionally they may recover fractures induced by the AFM tip. Beyond the protein shells, AFM also is able of exploring the genome inside, obtaining, for instance, the condensation state of dsDNA and measuring its diffusion when the protein cage breaks. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. L-shell radiative transition rates by selective synchrotron ionization

    Energy Technology Data Exchange (ETDEWEB)

    Bonetto, R D [Centro de Investigacion y Desarrollo en Ciencias Aplicadas Dr. Jorge J. Ronco, CONICET-UNLP, Calle 47 No. 257-Cc 59 (1900) La Plata (Argentina); Carreras, A C [Facultad de Matematica, AstronomIa y FIsica, Universidad Nacional de Cordoba, Ciudad Universitaria (5000) Cordoba (Argentina); Trincavelli, J [Facultad de Matematica, AstronomIa y FIsica, Universidad Nacional de Cordoba, Ciudad Universitaria (5000) Cordoba (Argentina); Castellano, G [Facultad de Matematica, AstronomIa y FIsica, Universidad Nacional de Cordoba, Ciudad Universitaria (5000) Cordoba (Argentina)

    2004-04-14

    Relative L-shell radiative transition rates were obtained for a number of decays in Gd, Dy, Er, Yb, Hf, Ta and Re by means of a method for refining atomic and experimental parameters involved in the spectral analysis of x-ray irradiated samples. For this purpose, pure samples were bombarded with monochromatic synchrotron radiation tuning the incident x-ray energy in order to allow selective ionization of the different atomic shells. The results presented are compared to experimental and theoretical values published by other authors. A good general agreement was found and some particular discrepancies are discussed.

  11. Three-dimensional atomic imaging of colloidal core-shell nanocrystals

    NARCIS (Netherlands)

    Bals, S.; Casavola, M.|info:eu-repo/dai/nl/34135595X; van Huis, M.A.|info:eu-repo/dai/nl/304097586; Van Aert, S.; Batenburg, K.J.; Van Tendeloo, G.; Vanmaekelbergh, D.A.M.|info:eu-repo/dai/nl/304829137

    2011-01-01

    Colloidal core–shell semiconductor nanocrystals form an important class of optoelectronic materials, in which the exciton wave functions can be tailored by the atomic configuration of the core, the interfacial layers, and the shell. Here, we provide a trustful 3D characterization at the atomic scale

  12. Experimental validation of L-shell x-ray fluorescence computed tomography imaging: phantom study.

    Science.gov (United States)

    Bazalova-Carter, Magdalena; Ahmad, Moiz; Xing, Lei; Fahrig, Rebecca

    2015-10-01

    Thanks to the current advances in nanoscience, molecular biochemistry, and x-ray detector technology, x-ray fluorescence computed tomography (XFCT) has been considered for molecular imaging of probes containing high atomic number elements, such as gold nanoparticles. The commonly used XFCT imaging performed with K-shell x rays appears to have insufficient imaging sensitivity to detect the low gold concentrations observed in small animal studies. Low energy fluorescence L-shell x rays have exhibited higher signal-to-background ratio and appeared as a promising XFCT mode with greatly enhanced sensitivity. The aim of this work was to experimentally demonstrate the feasibility of L-shell XFCT imaging and to assess its achievable sensitivity. We built an experimental L-shell XFCT imaging system consisting of a miniature x-ray tube and two spectrometers, a silicon drift detector (SDD), and a CdTe detector placed at [Formula: see text] with respect to the excitation beam. We imaged a 28-mm-diameter water phantom with 4-mm-diameter Eppendorf tubes containing gold solutions with concentrations of 0.06 to 0.1% Au. While all Au vials were detectable in the SDD L-shell XFCT image, none of the vials were visible in the CdTe L-shell XFCT image. The detectability limit of the presented L-shell XFCT SDD imaging setup was 0.007% Au, a concentration observed in small animal studies.

  13. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Stolte, W.C.; Lu, Y.; Samson, J.A.R. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    The aim of the present research is to understand the interaction between the ejected photoelectron and Auger electron produced by the Auger decay of a 1s hole in atomic oxygen, and to understand the influence this interaction has on the shape of the ionization cross sections. To accomplish this the authors have measured the relative ion yields (ion/photon) in the vicinity of the oxygen K-shell (525 - 533 eV) for O{sup +} and O{sup 2+}. The measurements were performed at the ALS on beamline, 6.3.2. The atomic oxygen was produced by passing molecular oxygen through a microwave-driven discharge. A Rydberg analysis of the two series leading to the [1s]2s{sup 2}2p{sup 4}({sup 4}P) and [1s]2s{sup 2}2p{sup 4}({sup 2}P) limits were obtained. This analysis shows some differences to the recently published results by Menzel et al. The energy position of the main 1s{sup 1}2s{sup 2}2p{sup 5}({sup 3}P) resonance differs by approximately 1 eV from the authors value, all members of the ({sup 2}P)np series differ by 0.3 eV, but the members of the ({sup 4}P)np series agree. The molecular resonance at 530.5 eV and those between 539 eV and 543 eV, measured with the microwave discharge off show identical results in both experiments.

  14. Analysis of L -shell line spectra with 50-ps time resolution from Mo X -pinch plasmas.

    Science.gov (United States)

    Hansen, S B; Shlyaptseva, A S; Pikuz, S A; Shelkovenko, T A; Sinars, D B; Chandler, K M; Hammer, D A

    2004-08-01

    Mo wire X pinches typically emit several x-ray bursts from a bright spot near the crossing of the X -pinch wires. Streak camera images of L -shell line emission from Mo wire X pinches have been analyzed using a non-local thermodynamic equilibrium (NLTE) collisional-radiative atomic kinetics model, providing temperature and density profiles with approximately 50 ps time resolution over the approximately 350 ps x-ray bursts. In conjunction with nonspectroscopic measurements, the analysis is used to propose a picture of the dynamic evolution of the X -pinch plasma. The L -shell spectra from the first x-ray burst indicate an electron density near 10(22) cm(-3) and an electron temperature near 1 keV; subsequent x-ray bursts have L -shell spectra that indicate electron temperatures slightly above 1 keV and electron densities near 10(20) and 10(21) cm(-3). The size of the L -shell line-emitting region is estimated to be near 10 microm for the first x-ray burst and much larger for the later bursts. It is proposed that inner-shell excitation of low ionization stages of Mo in a microm -scale plasma region contributes to the observed radiation from the first micropinch, which typically emits a short burst of >3 keV radiation and has L -shell spectra characterized by broad spectral lines overlaying an intense continuum.

  15. Strong dependence of shake probability on valence electron state for the inner-shell ionization of atoms

    Energy Technology Data Exchange (ETDEWEB)

    Kupliauskiene, A [Institute of Theoretical Physics and Astronomy of Vilnius University, A Gostauto 12, 2600 Vilnius (Lithuania); Glemza, K [Vilnius University, Sauletekio 9, Vilnius (Lithuania)

    2002-11-28

    The probability of the shaking process accompanying inner-shell ionization (expressed as the square of the overlap integrals of valence electron radial orbitals in the initial and final states) is calculated for a number of second- and third-row atoms and singly and doubly charged ions (in the excited states of n{sub 0} l{sub 0}{sup N} nl (3{<=}n{<=}9, 0{<=}l{<=}3)). Enormous differences are found for the low-excited n s and n p states between shake probabilities that are calculated using numerical solutions of Hartree-Fock equations and hydrogenic radial orbitals (with an effective nuclear charge and with an effective principal quantum number obtained from experimental binding energies). The results can be a useful guide in the search for strong relaxation effects in the Auger decay and inner-shell ionization of excited atoms and ions by photons and electrons as well as in sudden-perturbation approximation calculations.

  16. Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder

    1987-01-01

    display and analyze the function for the closed-shell atoms helium, beryllium, neon, argon, and zinc in the Hartree-Fock approximation. The quantum-mechanical exact results are compared with those obtained with the approximate Thomas-Fermi description of electron densities in phase space....

  17. process for K-shell ionization of atoms

    Indian Academy of Sciences (India)

    s-matrix element is evaluated in one photon exchange approximation using Dirac plane waves for incident and scattered electrons. The bound K-shell and ejected electrons are represented by Darwin wave function and non-relativistic Coulomb wave function multiplied by the Darwin matrix respectively. They have shown ...

  18. Effect of energy transfer from atomic electron shell to an α particle emitted by decaying nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Igashov, S. Yu., E-mail: igashov@theor.mephi.ru [All-Russian Research Institute of Automatics (Russian Federation); Tchuvil’sky, Yu. M. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)

    2016-12-15

    The process of energy transfer from the electron shell of an atom to an α particle propagating through the shell is formulated mathematically. Using the decay of the {sup 226}Ra nucleus as an example, it is demonstrated that this phenomenon increases the α-decay intensity in contrast with other known effects of similar type. Moreover, the α decay of the nucleus is more strongly affected by the energy transfer than by all other effects taken together.

  19. Mapping the Two-Component Atomic Fermi Gas to the Nuclear Shell-Model

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas

    2014-01-01

    of the external potential becomes important. A system of two-species fermionic cold atoms with an attractive zero-range interaction is analogous to a simple model of nucleus in which neutrons and protons interact only through a residual pairing interaction. In this article, we discuss how the problem of a two......-component atomic fermi gas in a tight external trap can be mapped to the nuclear shell model so that readily available many-body techniques in nuclear physics, such as the Shell Model Monte Carlo (SMMC) method, can be directly applied to the study of these systems. We demonstrate an application of the SMMC method...

  20. Sub-nanometer dimensions control of core/shell nanoparticles prepared by atomic layer deposition.

    Science.gov (United States)

    Weber, M J; Verheijen, M A; Bol, A A; Kessels, W M M

    2015-03-06

    Bimetallic core/shell nanoparticles (NPs) are the subject of intense research due to their unique electronic, optical and catalytic properties. Accurate and independent control over the dimensions of both core and shell would allow for unprecedented catalytic performance. Here, we demonstrate that both core and shell dimensions of Pd/Pt core/shell nanoparticles (NPs) supported on Al2O3 substrates can be controlled at the sub-nanometer level by using a novel strategy based on atomic layer deposition (ALD). From the results it is derived that the main conditions for accurate dimension control of these core/shell NPs are: (i) a difference in surface energy between the deposited core metal and the substrate to obtain island growth; (ii) a process yielding linear growth of the NP cores with ALD cycles to obtain monodispersed NPs with a narrow size distribution; (iii) a selective ALD process for the shell metal yielding a linearly increasing thickness to obtain controllable shell growth exclusively on the cores. For Pd/Pt core/shell NPs it is found that a minimum core diameter of 1 nm exists above which the NP cores are able to catalytically dissociate the precursor molecules for shell growth. In addition, initial studies on the stability of these core/shell NPs have been carried out, and it has been demonstrated that core/shell NPs can be deposited by ALD on high aspect ratio substrates such as nanowire arrays. These achievements show therefore that ALD has significant potential for the preparation of tuneable heterogeneous catalyst systems.

  1. V L Ginzburg and the Atomic Project

    Science.gov (United States)

    Ritus, V. I.

    2017-04-01

    This paper is an expanded version of the author's talk presented at a session of the Physical Sciences Division of the Russian Academy of Sciences celebrating the 100th anniversary of V L Ginzburg's birth. Tamm's Special group was organized in June 1948 with the task to clarify the feasibility of constructing a hydrogen bomb. Having verified and confirmed the calculated results by Ya B Zel'dovich's group, the Tamm group proposed an original hydrogen bomb design, which, following A D Sakharov's idea, consisted of an atomic bomb surrounded spherically by nested uranium and heavy water layers: the heavy water, on V L Ginzburg's suggestion, was replaced by higher-calorie solid lithium-6 deuteride. The ionization implosion of deuterium by uranium, both heated by the atomic bomb's explosion, greatly accelerates nuclear reactions in deuterium and uranium and increases the total energy release. Upon their approval by the KB-11 top researchers, the Atomic project leadership, and the government, the proposals were implemented in the RDS-6s bomb, which was successfully tested on 12 August 1953. Lithium-6 deuteride turned out to be a convenient multipurpose nuclear fuel. The paper highlights the recognition by the leaders of the country and of the Atomic project that fundamental science plays a crucial role in promoting scientists' ideas and proposals.

  2. Photoionization of the valence shells of the neutral tungsten atom

    CERN Document Server

    Ballance, Connor P

    2015-01-01

    Results from large-scale theoretical cross section calculations for the total photoionization of the 4f, 5s, 5p and 6s orbitals of the neutral tungsten atom using the Dirac Coulomb R-matrix approximation (DARC: Dirac-Atomic R-matrix codes) are presented. Comparisons are made with previous theoretical methods and prior experimental measurements. In previous experiments a time-resolved dual laser approach was employed for the photo-absorption of metal vapours and photo-absorption measurements on tungsten in a solid, using synchrotron radiation. The lowest ground state level of neutral tungsten is $\\rm 5p^6 5d^4 6s^2 \\; {^5}D_{\\it J}$, with $\\it J$=0, and requires only a single dipole matrix for photoionization. To make a meaningful comparison with existing experimental measurements, we statistically average the large-scale theoretical PI cross sections from the levels associated with the ground state $\\rm 5p^6 5d^4 6s^2 \\; {^5}D_{\\it J}[{\\it J}=0,1,2,3,4]$ levels and the $\\rm 5d^56s \\; ^7S_3$ excited metastable...

  3. Atomically Monodisperse Gold Nanoclusters Catalysts with Precise Core-Shell Structure

    Directory of Open Access Journals (Sweden)

    Yuhan Sun

    2011-09-01

    Full Text Available The emphasis of this review is atomically monodisperse Aun nanoclusters catalysts (n = number of metal atom in cluster that are ideally composed of an exact number of metal atoms. Aun which range in size from a dozen to a few hundred atoms are particularly promising for nanocatalysis due to their unique core-shell structure and non-metallic electronic properties. Aun nanoclusters catalysts have been demonstrated to exhibit excellent catalytic activity in hydrogenation and oxidation processes. Such unique properties of Aun significantly promote molecule activation by enhancing adsorption energy of reactant molecules on catalyst surface. The structural determination of Aun nanoclusters allows for a precise correlation of particle structure with catalytic properties and also permits the identification of catalytically active sites on the gold particle at an atomic level. By learning these fundamental principles, one would ultimately be able to design new types of highly active and highly selective gold nanocluster catalysts for a variety of catalytic processes.

  4. Two-photon excitation/ionization of the 1s-shell of the argon atom

    CERN Document Server

    Novikov, S A

    2002-01-01

    The absolute values and the shape of the two-photon excitation/ionization cross section of the 1s-shell of the argon atom are calculated with inclusion of the many-particle effects, i.e., the relaxation of the atomic residue in the field of the vacancies created, and the decay of the vacancies into the channels of Auger and (or) radiative types. The wavefunctions of the one-particle states are calculated in non-relativistic approximation. The calculations are performed for both linear and circular polarization of the laser beam.

  5. Ultra fast atomic process in X-ray emission by inner-shell ionization

    Energy Technology Data Exchange (ETDEWEB)

    Moribayashi, Kengo; Sasaki, Akira [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment; Tajima, T.

    1998-03-01

    An ultra-fast atomic process together with X-ray emission by inner-shell ionization using high intensity (10{sup 18} W/cm{sup 2}) short pulse (20fs) X-ray is studied. A new class of experiment is proposed and a useful pumping source is suggested. In this method, it is found that the gain value of X-ray laser amounts to larger than 1000(1/cm) with use of the density of 10{sup 22}/cm{sup 3} of carbon atom. Electron impact ionization effect and initial density effect as well as intensity of pumping source effect are also discussed. (author)

  6. Atomic shell structures observed in photoionization spectra of nickel and cobalt clusters

    Energy Technology Data Exchange (ETDEWEB)

    Vialle, J.L. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Pellarin, M. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Baguenard, B. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Lerme, J. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Broyer, M. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire

    1995-12-31

    Nickel and cobalt clusters have been studied by near threshold laser-photoionization and time-of-flight mass spectrometry. In the size domain from 50 up to 800 atoms, the mass distributions of the photoionized products look very similar for nickel and cobalt clusters. In both cases a regular structure is observed which is periodic on a N{sup 1/3} scale. It is found to be consistent with the filling of successive icosahedral shells of atoms. The recurring details of this structure agree with the so-called umbrellas model. (orig.)

  7. L-Shell Spectroscopy of Au as a Temperature Diagnostic Tool

    Energy Technology Data Exchange (ETDEWEB)

    Trabert, E; Hansen, S B; Beiersdorfer, P; Brown, G V; Widmann, K; Chung, H K

    2008-03-27

    In order to develop plasma diagnostic for reduced-size hot hohlraums under laser irradiation, they have studied the L-shell emission from highly charged gold ions in the SuperEBIT electron beam ion trap. The resolving power necessary to identify emission features from individual charge states in a picket fence pattern has been estimated, and the observed radiation features have been compared with atomic structure calculations. They find that the strong 3d{sub 5/2} {yields} 2p{sub 3/2} emission features are particularly useful in determining the charge state distribution and average ion charge , which are strongly sensitive to the electron temperature.

  8. X-ray Signature of Charge Exchange in the Spectra of L-shell Iron Ions

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P; Schweikhard, L; Liebisch, P; Brown, G V

    2007-01-05

    The X-ray signature of charge exchange between highly charged L-shell iron ions and neutral gas atoms was studied in the laboratory in order to assess its diagnostic utility. Significant differences with spectra formed by electron-impact excitation were observed. In particular, a strong enhancement was found of the emission corresponding to n {le} 4 {yields} n = 2 transitions relative to the n = 3 {yields} n = 2 emission. This enhancement was detectable even with relatively low-resolution X-ray instrumentation (E/{Delta}E {approx} 10) and may enable future identification of charge exchange as a line-formation mechanism in astrophysical spectra.

  9. Study of the K shell photoelectric parameters of Dy, Yb and W atoms using low energy Bremsstrahlung radiation

    Energy Technology Data Exchange (ETDEWEB)

    Hosur, S.B.; Naika, L.R.; Badiger, N.M. [Department of Studies in PhysicsKarnatak University, Dharwad - 580003 (India)

    2011-04-15

    Low energy external Bremsstrahlung (EB) photons were used to estimate the K shell photoelectric parameters; the K shell photoelectric cross section at the K edge, the K shell binding energy, the K shell jump ratio, the K shell jump factors, the Davisson-Kirchner ratio and the K shell oscillator strength for dysprosium (Dy), ytterbium (Yb) and tungsten (W) atoms. The EB photons are produced in the nickel (Ni) target by using the beta particles from a weak beta source of {sup 90}Sr-{sup 90}Y. These photons are made to fall on these elemental targets of our interest and the transmitted spectrum is measured using GMX 10P HPGe detector coupled to an 8K multichannel analyzer. The sharp decrease at the K edge in the measured spectrum is used to determine the K shell photoelectric parameters of these elements. The experimental results are in good agreement with the theoretical values. (authors)

  10. Study of the K shell photoelectric parameters of Dy, Yb and W atoms using low energy bremsstrahlung radiation

    Science.gov (United States)

    Hosur, S. B.; Naik, L. R.; Badiger, N. M.

    2011-04-01

    Low energy external bremsstrahlung (EB) photons were used to estimate the K shell photoelectric parameters; the K shell photoelectric cross section at the K edge, the K shell binding energy, the K shell jump ratio, the K shell jump factors, the Davisson-Kirchner ratio and the K shell oscillator strength for dysprosium (Dy), ytterbium (Yb) and tungsten (W) atoms. The EB photons are produced in the nickel (Ni) target by using the beta particles from a weak beta source of 90Sr-90Y. These photons are made to fall on these elemental targets of our interest and the transmitted spectrum is measured using GMX 10P HPGe detector coupled to an 8K multichannel analyzer. The sharp decrease at the K edge in the measured spectrum is used to determine the K shell photoelectric parameters of these elements. The experimental results are in good agreement with the theoretical values.

  11. L-shell X-ray energy shifts for an additional vacancy in the M shell

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, J.; Laha, U.; Talukdar, B.

    1987-04-28

    A relativistic screened hydrogenic model is used to calculate the transition energy shifts of Ll, L eta, L..beta../sub 15/ and L..gamma../sub 1/ x-ray lines for a spectator vacancy in the M/sub v/ subshell for ZETA 57 and ZETA = 60-95 in steps of 5. It is pointed out that, although not very pronounced, the relativistic effect is quite interesting for the L x-ray spectra. Relativity is seen to play an opposite role in affecting the energy shifts for LM and LN transitions. A possible explantation of this is presented in terms of the concept of direct and indirect relativistic effects on atomic orbitals. The present values for /sup 57/La are found to agree quite well with the experimental results of previous workers; also the results indicate that quantum electrodynamic corrections are important in calculating L x-ray transition energy shifts.

  12. Relativistic calculations of double $K$-shell photoionization for neutral medium-$Z$ atoms

    CERN Document Server

    Yerokhin, V A; Fritzsche, S

    2014-01-01

    Fully relativistic calculations are presented for the double $K$-shell photoionization cross section for several neutral medium-$Z$ atoms, from magnesium ($Z = 10$) up to silver ($Z = 47$). The calculations take into account all multipoles of the absorbed photon as well as the retardation of the electron-electron interaction. The approach is based on the partial-wave representation of the Dirac continuum states and uses the Green-function technique to represent the full Dirac spectrum of intermediate states. The method is strictly gauge invariant, which is used as an independent cross check of the computational procedure. The calculated ratios of the double-to-single $K$-shell ionization cross sections are compared with the experimental data and with previous computations.

  13. Accurate evaluation of magnetic coupling between atoms with numerous open shells: An ab initio method

    Science.gov (United States)

    Gellé, A.; Varignon, J.; Lepetit, M.-B.

    2009-11-01

    We propose a new ab initio method designed for the accurate calculation of effective exchange integrals between atoms with numerous open shells. This method applies to ferromagnetic as well as antiferromagnetic exchange, direct or ligand-mediated exchange. Test calculations on high spin transition metal oxides such as KNiF3, Ba2CoS3 or YMnO3 exhibit a very good accuracy compared either to the best ab initio calculations —when those are feasible— and with experimental evaluations.

  14. 78 FR 14778 - Application to Export Electric Energy; Shell Energy North America (US), L.P.

    Science.gov (United States)

    2013-03-07

    ... applicant have a franchised service area. The electric energy that Shell Energy proposes to export to Mexico... Shell Energy application to export electric energy to ] Mexico should be clearly marked with OE Docket... Application to Export Electric Energy; Shell Energy North America (US), L.P. AGENCY: Office of Electricity...

  15. Shannon entropies and Fisher information of K-shell electrons of neutral atoms

    Science.gov (United States)

    Sekh, Golam Ali; Saha, Aparna; Talukdar, Benoy

    2018-02-01

    We represent the two K-shell electrons of neutral atoms by Hylleraas-type wave function which fulfils the exact behavior at the electron-electron and electron-nucleus coalescence points and, derive a simple method to construct expressions for single-particle position- and momentum-space charge densities, ρ (r) and γ (p) respectively. We make use of the results for ρ (r) and γ (p) to critically examine the effect of correlation on bare (uncorrelated) values of Shannon information entropies (S) and of Fisher information (F) for the K-shell electrons of atoms from helium to neon. Due to inter-electronic repulsion the values of the uncorrelated Shannon position-space entropies are augmented while those of the momentum-space entropies are reduced. The corresponding Fisher information are found to exhibit opposite behavior in respect of this. Attempts are made to provide some plausible explanation for the observed response of S and F to electronic correlation.

  16. Microstructure of Monoplacophora (Mollusca) shell examined by low-voltage field emission scanning electron and atomic force microscopy.

    Science.gov (United States)

    Cruz, Renato; Weissmüller, Gilberto; Farina, Marcos

    2003-01-01

    The shell of Micropilina arntzi (Mollusca: Monoplacophora), a primitive molluscan class, was examined by using field emission scanning electron microscopy (FESEM) at low voltage and atomic force microscopy (AFM). The use of these two techniques allowed the observation of fine details of Micropilina arntzi shell and contributed to bring new features concerning the study of molluscan shell microtexture. Imaging with low-voltage FESEM provided well-defined edge contours of shell structures, while analyzing the sample with AFM gave information about the step height of stacked internal structures as well as the dimension of the particles present in their surface at a nanometric level. The shell microstructure of Monoplacophora species presents different patterns and may be a taxonomic implication in the systematic studies of the group.

  17. Multi-shell transport model for L-H transition

    Science.gov (United States)

    Berionni, V.; Morel, P.; Gürcan, Ö. D.

    2017-12-01

    A coupled model of transport, turbulence, and mesoscale flows is proposed, including turbulence spreading. The model consists of transport equations for plasma density and pressure coupled to a shell model of drift wave turbulence, which incorporates coupling to mesoscale flows via disparate scale interactions. The model can describe the turbulent cascade and its dynamical interplay with zonal and mean shear flows as well as the profile evolution (including the profiles of turbulence intensity itself) due to these self-consistent turbulent fluxes. This simple system of equations is shown to capture the low to high confinement (L-H) transition. It is also observed that as the heating is increased, the system goes through an intermediate phase that displays oscillations between zonal flows and turbulence. The transition towards the H mode, which is characterized by the presence of a strong mean shear flow at the edge, is triggered by the mesoscale dynamics due to the action of zonal flows, with turbulence spreading playing an important role in the H to L back transition.

  18. The effect of thermal treatment on the atomic structure of PtCu core-shell nanoparticles in PtCu/C electrocatalysts

    Science.gov (United States)

    Shemet, D. B.; Pryadchenko, V. V.; Srabionyan, V. V.; Belenov, S. B.; Mikheykin, A. S.; Avakyan, L. A.; Guterman, V. E.; Bugaev, L. A.

    2017-05-01

    Nanocatalysts PtCu/C with core-shell structure of PtCu nanoparticles were synthesized by the method of sequential chemical reduction of Cu2+ and Pt(IV) in carbon suspension, prepared on the basis of ethylene glycol-water solvent. The characterization of atomic structure of “as prepared” PtCu nanoparticles and obtained after thermal treatment at 350 °C was performed by Pt L 3- and Cu K-edge extended X-ray absorption fine structure (EXAFS), complemented with TEM and XRD studies. The processing of EXAFS was performed by the technique that enables to reduce the effect of correlations among fitting parameters on the determined values of local structure parameters of the absorbing atoms, which have the nearest surrounding consisting both Pt and Cu atoms.

  19. L shell x ray production in high-Z elements using 4–6 MeV/u fluorine ions

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sunil [Department of Physics, Panjab University, Chandigarh 160014 (India); Department of Applied Sciences, Chitkara University, Himachal Pradesh 174103 (India); Singh, Udai [Department of Applied Sciences, Chitkara University, Himachal Pradesh 174103 (India); Oswal, M. [Department of Physics, Dev Samaj College, Sec 45-B, Chandigarh 160047 (India); Singh, G.; Singh, N.; Mehta, D. [Department of Physics, Panjab University, Chandigarh 160014 (India); Nandi, T., E-mail: nanditapan@gmail.com [Inter-University Accelerator Centre, New Delhi 110067 (India); Lapicki, G. [Department of Physics, East Carolina University, Greenville, NC 27858 (United States)

    2017-03-15

    L shell line and total x ray production cross sections in {sub 78}Pt, {sub 79}Au, {sub 82}Pb, {sub 83}Bi, {sub 90}Th, and {sub 92}U targets ionized by 4–6 MeV/u fluorine ions were measured. These cross sections are compared with available theories for L shell ionization using single- and multiple-hole fluorescence and the Coster-Kronig yields. The ECPSSR and the ECUSAR theories exhibit good agreement with the measured data, whereas, the FBA theory overestimates them by a factor of two. Although for the F ion charge states q = 6–8 the multiple-hole atomic parameters do not significantly differ from the single-hole values, after an account for the multiple-holes, our data are better in agreement with the ECUSAR than the ECPSSR theory.

  20. Characterization of Physic nut (Jatropha curcas L.) shells

    NARCIS (Netherlands)

    Wever, Diego; Heeres, H. J.; Broekhuis, Antonius A.

    The characterization of Physic nut shells was done using the wet chemical analysis of wood components. The obtained fractions were analyzed using IR, NMR, GPC, ICP and MALDI-TOF mass spectroscopy. TGA was used to determine the fixed carbon (+ash) and water content of the shells. The results of wet

  1. Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity.

    Science.gov (United States)

    Ji, Wen-Xin; Xu, Wei; Schwarz, W H Eugen; Wang, Shu-Guang

    2015-03-15

    Lanthanide trihalide molecules LnX3 (X = F, Cl, Br, I) were quantum chemically investigated, in particular detail for Ln = Lu (lutetium). We applied density functional theory (DFT) at the nonrelativistic and scalar and SO-coupled relativistic levels, and also the ab initio coupled cluster approach. The chemically active electron shells of the lanthanide atoms comprise the 5d and 6s (and 6p) valence atomic orbitals (AO) and also the filled inner 4f semivalence and outer 5p semicore shells. Four different frozen-core approximations for Lu were compared: the (1s(2) -4d(10) ) [Pd] medium core, the [Pd+5s(2) 5p(6) = Xe] and [Pd+4f(14) ] large cores, and the [Pd+4f(14) +5s(2) 5p(6) ] very large core. The errors of LuX bonding are more serious on freezing the 5p(6) shell than the 4f(14) shell, more serious upon core-freezing than on the effective-core-potential approximation. The LnX distances correlate linearly with the AO radii of the ionic outer shells, Ln(3+) -5p(6) and X(-) -np(6) , characteristic for dominantly ionic Ln(3+) -X(-) binding. The heavier halogen atoms also bind covalently with the Ln-5d shell. Scalar relativistic effects contract and destabilize the LuX bonds, spin orbit coupling hardly affects the geometries but the bond energies, owing to SO effects in the free atoms. The relativistic changes of bond energy BE, bond length Re , bond force k, and bond stretching frequency vs do not follow the simple rules of Badger and Gordy (Re ∼BE∼k∼vs ). The so-called degeneracy-driven covalence, meaning strong mixing of accidentally near-degenerate, nearly nonoverlapping AOs without BE contribution is critically discussed. © 2015 Wiley Periodicals, Inc.

  2. Polymer-inorganic core-shell nanofibers by electrospinning and atomic layer deposition: flexible nylon-ZnO core-shell nanofiber mats and their photocatalytic activity.

    Science.gov (United States)

    Kayaci, Fatma; Ozgit-Akgun, Cagla; Donmez, Inci; Biyikli, Necmi; Uyar, Tamer

    2012-11-01

    Polymer-inorganic core-shell nanofibers were produced by two-step approach; electrospinning and atomic layer deposition (ALD). First, nylon 6,6 (polymeric core) nanofibers were obtained by electrospinning, and then zinc oxide (ZnO) (inorganic shell) with precise thickness control was deposited onto electrospun nylon 6,6 nanofibers using ALD technique. The bead-free and uniform nylon 6,6 nanofibers having different average fiber diameters (∼80, ∼240 and ∼650 nm) were achieved by using two different solvent systems and polymer concentrations. ZnO layer about 90 nm, having uniform thickness around the fiber structure, was successfully deposited onto the nylon 6,6 nanofibers. Because of the low deposition temperature utilized (200 °C), ALD process did not deform the polymeric fiber structure, and highly conformal ZnO layer with precise thickness and composition over a large scale were accomplished regardless of the differences in fiber diameters. ZnO shell layer was found to have a polycrystalline nature with hexagonal wurtzite structure. The core-shell nylon 6,6-ZnO nanofiber mats were flexible because of the polymeric core component. Photocatalytic activity of the core-shell nylon 6,6-ZnO nanofiber mats were tested by following the photocatalytic decomposition of rhodamine-B dye. The nylon 6,6-ZnO nanofiber mat, having thinner fiber diameter, has shown better photocatalytic efficiency due to higher surface area of this sample. These nylon 6,6-ZnO nanofiber mats have also shown structural stability and kept their photocatalytic activity for the second cycle test. Our findings suggest that core-shell nylon 6,6-ZnO nanofiber mat can be a very good candidate as a filter material for water purification and organic waste treatment because of their photocatalytic properties along with structural flexibility and stability.

  3. Epitaxial TiO 2/SnO 2 core-shell heterostructure by atomic layer deposition

    KAUST Repository

    Nie, Anmin

    2012-01-01

    Taking TiO 2/SnO 2 core-shell nanowires (NWs) as a model system, we systematically investigate the structure and the morphological evolution of this heterostructure synthesized by atomic layer deposition/epitaxy (ALD/ALE). All characterizations, by X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction and Raman spectra, reveal that single crystalline rutile TiO 2 shells can be epitaxially grown on SnO 2 NWs with an atomically sharp interface at low temperature (250 °C). The growth behavior of the TiO 2 shells highly depends on the surface orientations and the geometrical shape of the core SnO 2 NW cross-section. Atomically smooth surfaces are found for growth on the {110} surface. Rough surfaces develop on {100} surfaces due to (100) - (1 × 3) reconstruction, by introducing steps in the [010] direction as a continuation of {110} facets. Lattice mismatch induces superlattice structures in the TiO 2 shell and misfit dislocations along the interface. Conformal epitaxial growth has been observed for SnO 2 NW cores with an octagonal cross-section ({100} and {110} surfaces). However, for a rectangular core ({101} and {010} surfaces), the shell also derives an octagonal shape from the epitaxial growth, which was explained by a proposed model based on ALD kinetics. The surface steps and defects induced by the lattice mismatch likely lead to improved photoluminescence (PL) performance for the yellow emission. Compared to the pure SnO 2 NWs, the PL spectrum of the core-shell nanostructures exhibits a stronger emission peak, which suggests potential applications in optoelectronics. © The Royal Society of Chemistry 2012.

  4. Shell

    OpenAIRE

    Harper, Catherine

    2006-01-01

    Susie MacMurray's Shell installation manifests in Pallant House Gallery, Chichester, like some pulsing exotica, a heavily-textured wall-paper, darkly decorative, heavily luxurious, broodingly present, with more than a hint of the uncanny or the gothic. A remarkable undertaking by an artist of significance, this work's life-span will be just one year, and then it will disappear, leaving no physical trace, but undoubtedly contributing in a much less tangible way to an already rich layering of n...

  5. Fluidized-bed atomic layer deposition reactor for the synthesis of core-shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Didden, Arjen P.; Middelkoop, Joost; Krol, Roel van de, E-mail: roel.vandekrol@helmholtzberlin.de [Delft University of Technology, Faculty of Applied Sciences, Department of Chemical Engineering, P.O. Box 5045, 2600 GA Delft (Netherlands); Besling, Wim F. A. [NXP Semiconductors, High Tech Campus 32, 5656 AE Eindhoven (Netherlands); Nanu, Diana E. [Thin Film Factory B.V., Hemma Oddastrjitte 5, 8927 AA Leeuwarden (Netherlands)

    2014-01-15

    The design of a fluidized bed atomic layer deposition (ALD) reactor is described in detail. The reactor consists of three parts that have all been placed in one protective cabinet: precursor dosing, reactor, and residual gas treatment section. In the precursor dosing section, the chemicals needed for the ALD reaction are injected into the carrier gas using different methods for different precursors. The reactor section is designed in such a way that a homogeneous fluidized bed can be obtained with a constant, actively controlled, reactor pressure. Furthermore, no filters are required inside the reactor chamber, minimizing the risk of pressure increase due to fouling. The residual gas treatment section consists of a decomposition furnace to remove residual precursor and a particle filter and is installed to protect the pump. In order to demonstrate the performance of the reactor, SiO{sub 2} particles have been coated with TiO{sub 2} using tetrakis-dimethylamino titanium (TDMAT) and H{sub 2}O as precursors. Experiments with varying pulse times show that saturated growth can be obtained with TDMAT pulse times larger than 600 s. Analysis of the powder with High-Angle Annular Dark-Field Scanning Transmission Electron Microscopy (HAADF-STEM) and energy dispersive X-ray spectroscopy confirmed that after 50 cycles, all SiO{sub 2} particles were coated with a 1.6 nm homogenous shell of TiO{sub 2}.

  6. Measurement of vacancy transfer probability from K to L shell using ...

    Indian Academy of Sciences (India)

    The vacancy transfer probabilities from K to L shell through radiative decay, KL , have been deduced for the elements in the range 19 ≤ ≤ 58 using K-shell fluorescence yields. The targets were irradiated with photons at 59.5 keV from a 75mCi 241Am annular source. The K X-rays from different targets were detected ...

  7. Measurement of vacancy transfer probability from K to L shell using ...

    Indian Academy of Sciences (India)

    Abstract. The vacancy transfer probabilities from K to L shell through radiative decay,. ηKL, have been deduced for the elements in the range 19 ≤ Z ≤ 58 using K-shell fluores- cence yields. The targets were irradiated with γ photons at 59.5 keV from a 75mCi 241Am annular source. The K X-rays from different targets were ...

  8. Extraction, identification, and quantification of antioxidant phenolics from hazelnut (Corylus avellana L.) shells.

    Science.gov (United States)

    Yuan, Bo; Lu, Mei; Eskridge, Kent M; Isom, Loren D; Hanna, Milford A

    2018-04-01

    Hazelnut shells are the major byproduct of the hazelnut industry. The objectives of this study were to optimize the conditions for extracting phenolics and to identify and quantify the phenolics in hazelnut shells. Preliminary optimization showed that a high recovery of phenolics could be achieved with shell particle size less than 0.5mm when extracted with acetone at 50°C. Response surface experiments showed that a 10g/l liquid to solid ratio, 58% acetone, and 12h extraction time yielded the highest amount of phenolics. Twenty-seven phenolic compounds were identified in hazelnut shells by mass spectrometry. Coumaroylquinic acid, epicatechin gallate, quercetin, and six other phenolics were identified in hazelnut shells for the first time. The most abundant phenolics in hazelnut shells were catechin, epicatechin gallate, and gallic acid, as quantified by high performance liquid chromatography (HPLC). These results can be useful for the development of industrial extraction processes of natural antioxidants from hazelnut shells. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. DFT study of Fe-Ni core-shell nanoparticles: stability, catalytic activity, and interaction with carbon atom for single-walled carbon nanotube growth.

    Science.gov (United States)

    Yang, Zhimin; Wang, Qiang; Shan, Xiaoye; Li, Wei-qi; Chen, Guang-hui; Zhu, Hongjun

    2015-02-21

    Metal catalysts play an important role in the nucleation and growth of single-walled carbon nanotubes (SWCNTs). It is essential for probing the nucleation and growth mechanism of SWCNTs to fundamentally understand the properties of the metal catalysts and their interaction with carbon species. In this study, we systematically studied the stability of 13- and 55-atom Fe and Fe-Ni core-shell particles as well as these particles interaction with the carbon atoms using the density functional theory calculations. Icosahedral 13- and 55-atom Fe-Ni core-shell bimetallic particles have higher stability than the corresponding monometallic Fe and Ni particles. Opposite charge transfer (or distribution) in these particles leads to the Fe surface-shell displays a positive charge, while the Ni surface-shell exhibits a negative charge. The opposite charge transfer would induce different chemical activities. Compared with the monometallic Fe and Ni particles, the core-shell bimetallic particles have weaker interaction with C atoms. More importantly, C atoms only prefer staying on the surface of the bimetallic particles. In contrast, C atoms prefer locating into the subsurface of the monometallic particles, which is more likely to form stable metal carbides. The difference of the mono- and bimetallic particles on this issue may result in different nucleation and growth mechanism of SWCNTs. Our findings provide useful insights for the design of bimetallic catalysts and a better understanding nucleation and growth mechanism of SWCNTs.

  10. EMIC waves covering wide L shells: MMS and Van Allen Probes observations

    Science.gov (United States)

    Yu, Xiongdong; Yuan, Zhigang; Huang, Shiyong; Wang, Dedong; Li, Haimeng; Qiao, Zheng; Yao, Fei

    2017-07-01

    During 04:45:00-08:15:00 UT on 13 September in 2015, a case of Electromagnetic ion cyclotron (EMIC) waves covering wide L shells (L = 3.6-9.4), observed by the Magnotospheric Multiscale 1 (MMS1) are reported. During the same time interval, EMIC waves observed by Van Allen Probes A (VAP-A) only occurred just outside the plasmapause. As the Van Allen Probes moved outside into a more tenuous plasma region, no intense waves were observed. Combined observations of MMS1 and VAP-A suggest that in the terrestrial magnetosphere, an appropriately dense background plasma would make contributions to the growth of EMIC waves in lower L shells, while the ion anisotropy, driven by magnetospheric compression, might play an important role in the excitation of EMIC waves in higher L shells. These EMIC waves are observed over wide L shells after three continuous magnetic storms, which suggests that these waves might obtain their free energy from those energetic ions injected during storm times. These EMIC waves should be included in radiation belt modeling, especially during continuous magnetic storms. Moreover, two-band structures separated in frequencies by local He2+ gyrofrequencies were observed in large L shells (L > 6), implying sufficiently rich solar wind origin He2+ likely in the outer ring current. It is suggested that multiband-structured EMIC waves can be used to trace the coupling between solar wind and the magnetosphere.tract type="synopsis">le type="main">Plain Language SummaryThe spatial distribution of EMIC waves is an opening question. With combined observations of MMS and Van Allen Probes, this paper has reported EMIC waves covering wide L shells. Moreover, two-band structures separated in frequencies by local He2+ gyrofrequencies were observed in large L shells (L > 6), implying sufficiently rich solar wind origin He2+ likely in the outer ring current. The result is helpful to revealing the spatial distribution and role of He2+ in excitation of EMIC waves.

  11. The effect of thermal treatment on the atomic structure of core-shell PtCu nanoparticles in PtCu/C electrocatalysts

    Science.gov (United States)

    Pryadchenko, V. V.; Belenov, S. V.; Shemet, D. B.; Volochaev, V. A.; Srabionyan, V. V.; Avakyan, L. A.; Tabachkova, N. Yu.; Guterman, V. E.; Bugaev, L. A.

    2017-08-01

    PtCu/C electrocatalysts with bimetallic PtCu nanoparticles were synthesized by successive chemical reduction of Cu2+ and Pt(IV) in a carbon suspension prepared based on an aqueous ethylene glycol solution. The atomic structure of as-prepared PtCu nanoparticles and nanoparticles subjected to thermal treatment at 350°C was examined using Pt L 3 and Cu K EXAFS spectra, transmission electron microscopy (TEM), and X-ray powder diffraction (XRD). The results of joint analysis of TEM microphotographs, XRD profiles, and EXAFS spectra suggest that the synthesized electrocatalysts contain PtCu nanoparticles with a Cu core-Pt shell structure and copper oxides Cu2O and CuO. Thermal treatment of electrocatalysts at 350°C results in partial reduction of copper oxides and fusion of bimetallic nanoparticles with the formation of both homogeneous and ordered PtCu solid solutions.

  12. Atomic structure and thermal stability of Pt-Fe bimetallic nanoparticles: from alloy to core/shell architectures.

    Science.gov (United States)

    Huang, Rao; Wen, Yu-Hua; Shao, Gui-Fang; Sun, Shi-Gang

    2016-06-22

    Bimetallic nanoparticles comprising noble metal and non-noble metal have attracted intense interest over the past few decades due to their low cost and significantly enhanced catalytic performances. In this article, we have explored the atomic structure and thermal stability of Pt-Fe alloy and core-shell nanoparticles by molecular dynamics simulations. In Fe-core/Pt-shell nanoparticles, Fe with three different structures, i.e., body-centered cubic (bcc), face-centered cubic (fcc), and amorphous phases, has been considered. Our results show that Pt-Fe alloy is the most stable configuration among the four types of bimetallic nanoparticles. It has been discovered that the amorphous Fe cannot stably exist in the core and preferentially transforms into the fcc phase. The phase transition from bcc to hexagonal close packed (hcp) has also been observed in bcc-Fe-core/Pt-shell nanoparticles. In contrast, Fe with the fcc structure is the most preferred as the core component. These findings are helpful for understanding the structure-property relationships of Pt-Fe bimetallic nanoparticles, and are also of significance to the synthesis and application of noble metal based nanoparticle catalysts.

  13. Slurry analysis of cadmium and copper collected on 11-mercaptoundecanoic acid modified TiO{sub 2} core-Au shell nanoparticles by flame atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Gunduz, S. [Istanbul Technical University, Faculty of Science and Letters, Department of Chemistry, 34469 Maslak-Istanbul (Turkey); Akman, S., E-mail: akmans@itu.edu.tr [Istanbul Technical University, Faculty of Science and Letters, Department of Chemistry, 34469 Maslak-Istanbul (Turkey); Kahraman, M. [Yeditepe University, Faculty of Engineering and Architecture, Department of Genetics and Bioengineering, 34755 Kayisdagi-Istanbul (Turkey)

    2011-02-15

    Separation/preconcentration of copper and cadmium using TiO{sub 2} core-Au shell nanoparticles modified with 11-mercaptoundecanoic acid and their slurry analysis by flame atomic absorption spectrometry were described. For this purpose, at first, titanium dioxide nanoparticles were coated with gold shell by reducing the chloroauric acid with sodium borohydride and then modified with 11-mercaptoundecanoic acid. The characterization of modified nanoparticles was performed using ultra-violet spectroscopy and dynamic light scattering. Copper and cadmium were then collected on the prepared sorbent by batch method. The solid phase loaded with the analytes was separated by centrifugation and the supernatant was removed. Finally, the precipitate was slurried and directly aspirated into the flame for the determination of analytes. Thus, elution step and its all drawbacks were eliminated. The effects of pH, amount of sorbent, slurry volume, sample volume and diverse ions on the recovery were investigated. After optimization of experimental parameters, the analytes in different certified reference materials and spiked water samples were quantitatively recovered with 5% RSD. The analytes were enriched up to 20-fold. Limits of detection (N = 10, 3{sigma}) for copper and cadmium were 0.28 and 0.15 ng mL{sup -1}, respectively.

  14. L X-ray intensity ratio measurements using selective L sub-shell photo-ionisation on synchrotron

    Science.gov (United States)

    Bansal, Himani; Tiwari, M. K.; Mittal, Raj

    2017-10-01

    Lα/Lℓ, Lβ /Lℓ and Lγ/Lℓ intensity ratios have been measured for elements in the range 66≤Z≤83 at tuned photon energies on synchrotron beam line-16 at Indus-2, India. For each element, three incident energies Ei were E3; EL3 EL1 where ELi are Li absorption edge energies of the element. Emitted L X-ray spectrum of an element constitutes a number of X-ray lines generally grouped into four main groups due to limited resolution of available detectors as Lℓ(L3-M1), Lα(L3-M4,5), Lβ(L1-M2,3,4,5,N4; L2-M3,4; L3-N1,4,5,O1,4,5) and Lγ(L2-N1,4,O1,4; L1-N2,3,5,O3,2). Lα and Lℓ both comprise only the lines feeding L3 level and Lβ group comprises X-ray lines feeding all the three sub-shells where as Lγ involves contribution from L1 and L2 feedings. Only E3 excitation gives the ratios free from intra sub-shell Coster-Kronig (CK) transitions while excitations E2 and E1 give CK affected Lβ/Lℓ and Lγ/Lℓ X-ray intensity ratios and Lα/Lℓ still remains free from CKs. The pattern of intensity ratios at three excitation energies of elements was well interpreted in terms of on/off of CK transitions (Bambynek et al., 1972; Campbell, 2003) and outer shell electron filling configuration (Scofield, 1973).

  15. L shell x-ray production in high-Z elements using 4-6 MeV/u fluorine ions

    CERN Document Server

    Kumar, Sunil; Oswal, M; Singh, G; Singh, N; Mehta, D; Lapicki, G; Nandi, T

    2016-01-01

    L shell line and total x-ray production cross sections in 78Pt, 79Au, 82Pb, 83Bi, 90Th, and 92U targets ionized by 4-6 MeV/u fluorine ions were measured. These cross sections are compared with available theories for L shell ionization using single- and multiple-hole fluorescence and the Coster-Kronig yields. The ECPSSR and the ECUSAR theories exhibit good agreement with the measured data, whereas, the FBA theory overestimates them by a factor of two. Although for the F ion charge states q = 6-8 the multiple-hole atomic parameters do not significantly differ from the single-hole values, after an account for the multiple-holes, our data are better in agreement with the ECUSAR than the ECPSSR theory.

  16. On the atomic-number similarity of the binding energies of electrons in filled shells of elements of the periodic table

    Energy Technology Data Exchange (ETDEWEB)

    Karpov, V. Ya. [Bruk Institute of Electronic Control Machines (Russian Federation); Shpatakovskaya, G. V., E-mail: shpagalya@yandex.ru [Russian Academy of Sciences, Keldysh Institute of Applied Mathematics (Russian Federation)

    2017-03-15

    An expression for the binding energies of electrons in the ground state of an atom is derived on the basis of the Bohr–Sommerfeld quantization rule within the Thomas–Fermi model. The validity of this relation for all elements from neon to uranium is tested within a more perfect quantum-mechanical model with and without the inclusion of relativistic effects, as well as with experimental binding energies. As a result, the ordering of electronic levels in filled atomic shells is established, manifested in an approximate atomic-number similarity. It is proposed to use this scaling property to analytically estimate the binding energies of electrons in an arbitrary atom.

  17. Relativistic effects on the linear polarization and angular distribution of x-ray radiation emitted by inner-shell photoionization of atoms

    Science.gov (United States)

    Ma, Kun; Chen, Zhan-Bin; Xie, Lu-You; Dong, Chen-Zhong; Qu, Yi-Zhi

    2017-11-01

    We present a theoretical study of relativistic effects on the linear polarization and angular distribution of x-ray radiation for the L {α }2 (3{d}3/2\\to 2{p}3/2) characteristic line following inner-shell single photoionization of Cd, Ba, Yb and Ra atoms. The analysis is performed based on the multi-configuration Dirac–Fock method and the density matrix theory. To explore the nature of these effects, calculations are carried out based on detailed analyses of the total and magnetic sublevel cross sections, the linear polarization, and the angular distribution of the x-ray photoemission, as well as on corresponding data calculated in the nonrelativistic limit. Our results show a significant difference in the above parameters compared to the nonrelativistic treatment, which is mainly due to the relativistic treatment of the target. Higher multipole contributions are also estimated, and found to be generally weaker. The importance of inclusion of the relativistic effects grows with increasing atomic number and the incoming photon energy.

  18. Optical oscillator strengths of the valence-shell excitations of atoms and molecules determined by the dipole ( γ,γ) method

    Science.gov (United States)

    Xu, Long-Quan; Liu, Ya-Wei; Xu, Xin; Ni, Dong-Dong; Yang, Ke; Zhu, Lin-Fan

    2017-07-01

    The dipole (γ,γ) method, which is the inelastic X-ray scattering operated at a negligibly small momentum transfer, has been developed to determine the absolute optical oscillator strengths of the valence-shell excitations of atoms and molecules. This new method is free from the line saturation effect, and its Bethe-Born conversion factor varies much more slowly with the excitation energy than that of the dipole (e, e) method. Thus the dipole (γ,γ) method provides a reliable approach to obtain the benchmark optical oscillator strengths of the valence-shell excitations for gaseous atoms and molecules. In this paper, we give a review of the dipole (γ,γ) method and some recent measurements of absolute optical oscillator strengths of gaseous atoms and molecules. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  19. Atomic masses above /sup 146/Gd derived from a shell model analysis of high spin states

    CERN Document Server

    Blomqvist, J; Daly, P J; Kleinheinz, P

    1981-01-01

    Using extensive spectroscopic data on high spin states involving aligned valence nucleons in very neutron deficient nuclei above /sup 146/Gd the authors have derived the ground state masses of /sup 146 /Gd, /sup 147,148/Tb, /sup 148,149,150/Dy, /sup 149,150,151/Ho, and /sup 150,151,152/Er from a shell model analysis. The mass values show a pronounced irregularity in the two-proton separation energies at /sup 146/Gd. The results also link nine alpha -decay chains to the known masses. (0 refs).

  20. ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

    Science.gov (United States)

    Cipolla, Sam J.

    2011-11-01

    In this new version of ISICS, called ISICS2011, a few omissions and incorrect entries in the built-in file of electron binding energies have been corrected; operational situations leading to un-physical behavior have been identified and flagged. New version program summaryProgram title: ISICS2011 Catalogue identifier: ADDS_v5_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADDS_v5_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.: 6011 No. of bytes in distributed program, including test data, etc.: 130 587 Distribution format: tar.gz Programming language: C Computer: 80486 or higher-level PCs Operating system: WINDOWS XP and all earlier operating systems Classification: 16.7 Catalogue identifier of previous version: ADDS_v4_0 Journal reference of previous version: Comput. Phys. Commun. 180 (2009) 1716. Does the new version supersede the previous version?: Yes Nature of problem: Ionization and X-ray production cross section calculations for ion-atom collisions. Solution method: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Reasons for new version: General need for higher precision in output format for projectile energies; some built-in binding energies needed correcting; some anomalous results occur due to faulty read-in data or calculated parameters becoming un-physical; erroneous calculations could result for the L and M shells when restricted K-shell options are inadvertently chosen; to achieve general compatibility with ISICSoo, a companion C++ version that is portable to Linux and MacOS platforms, has been submitted for publication in the CPC Program Library approximately at the same time as this present new standalone version of ISICS [1]. Summary of revisions: The format field for

  1. Preliminary nutritional and biological potential of Artocarpus heterophyllus L. shell powder.

    Science.gov (United States)

    Sharma, Anubhuti; Gupta, Priti; Verma, A K

    2015-03-01

    Artocarpus heterophyllus shell powder was investigated in terms of its nutritional and biological potential. A thorough examination of shell powder demonstrated its potential as a source of minerals, β carotene and dietary fiber, which were assessed gravimetrically & spectrophotometrically. This showed 3.05 ± 0.19 g 100 g(-1) DW of alkaloids followed by saponins and tannins. Three different extracts; acetone, methanol, & mix solvent were used to evaluate phenolic & flavonoid content, antioxidant & antimicrobial activity, GC/MS screening and quantitative analysis of polyphenols. Among all, the methanol extract showed highest antioxidant activity evaluated by DPPH, FRAP & ABTS assays and was significantly correlated with phenolic and flavonoid contents. Phenolic & flavonoid content was found to be 158 ± 0.34 mg (GAE) and 10.0 ± 0.64 mg (CE) respectively. The results of antimicrobial activity showed that L. monocytogenes was more susceptible to all extracts followed by other microorganisms. Catechin, ascorbic & chlorogenic acids were identified as major polyphenols analyzed by LC-MS/MS. GC/MS analysis showed that it contains a variety of compounds with different therapeutic activities. The study revealed that A. heterophyllus shell is a good source of natural antioxidants & other bioactive compounds and can be used in cosmetics, medicines and functional food application.

  2. Local atomic structure of solid solutions with overlapping shells by EXAFS: The regularization method

    Energy Technology Data Exchange (ETDEWEB)

    Babanov, Yu.A., E-mail: babanov@imp.uran.ru [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Ponomarev, D.A.; Ustinov, V.V. [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Baranov, A.N. [M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Zubavichus, Ya.V. [Russian Research Centre “Kurchatov Institute”, 123182 Moscow (Russian Federation)

    2016-08-15

    Highlights: • A method for determining bond lengths from combined EXAFS spectra for solid oxide solutions is proposed. • We have demonstrated a high resolution in r-space of close spacing atoms in the Periodical Table. • These results were obtained without any assumptions concerning interatomic distances for multi-component systems. • Coordinates ions for the solid solution with rock salt structure are determined. - Abstract: The regularization method of solving ill-posed problem is used to determine five partial interatomic distances on the basis of combined two EXAFS spectra. Mathematical algorithm and experimental results of the EXAFS analysis for Ni{sub c}Zn{sub 1−c}O (c = 0.0, 0.3, 0.5, 0.7, 1.0) solid solutions with the rock salt (rs) crystal structure are discussed. Samples were synthesized from the binary oxide powders at pressure of 7.7 GPa and temperatures 1450–1650 K. The measurements were performed using synchrotron facilities (Russian Research Centre “Kurchatov Institute”, Moscow). The Ni and Zn K absorption spectra were recorded in transmission mode under room temperature. It is shown, the ideal rock salt lattice is distorted and long-range order exists only in the average (Vegard law). In order to determine coordinates ions for the solid solution with rock salt structure, we used the Pauling model. The simulation is performed for 343,000 cluster of oxide ions. The distribution functions for ions (Ni−O, Ni−Ni, Ni−Zn, Zn−Zn, Zn−O, O−O) depending on the distance are obtained. The width of the Gaussian distribution function is determined by the difference of the radii of the metal ions. The results are consistent with the data both X-ray diffraction and the EXAFS spectroscopy.

  3. Extraordinary N atom tunneling in formation of InN shell layer on GaN nanorod m-plane sidewall.

    Science.gov (United States)

    Cai, Duanjun; Lin, Na; Xu, Hongmei; Liao, Che-Hao; Yang, C C

    2014-12-12

    We report the extraordinary tunneling process that finds the lower cohesive energy route for stablizing InN shell layer on m-plane sidewall of GaN nanorod. The [0001] orientated GaN nanorod array is grown on sapphire substrate patterned with Ga nanoparticle by metal-organic vapor deposition method, based on which the simulation structures of c-plane top surface and m-plane sidewall surface is constructed for the first-principles calculations. The results show that the introduction of In wetting monolayer could effectively lower the cohesive energy of adalayers on non-polar GaN surfaces. Most importantly, it is revealed that there exists an extraordinary tunneling process in which the N atoms will drag out the In wetting atoms and tunnel through to form stable InN shell layer on the nanorod sidewall.

  4. Postcollision interactions in the Auger decay of the Ar L-shell

    Energy Technology Data Exchange (ETDEWEB)

    Samson, J.A.R.; Stolte, W.C.; He, Z.X. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    The photoionization cross sections for Ar{sup +} through Ar{sup 4+}, produced by the Auger decay of an inner shell 2p hole, have been measured between 242 eV and 253 eV on beamline 9.0.1 and 6.3.2. In this study the authors are interested in near threshold phenomenon involving postcollision interactions (PCI), which are related to the Auger decay of a vacancy in the Ar L-shell. During an Auger decay a postcollision interaction can occur causing the out-going photoelectron to be retarded thus losing a certain amount of energy. If the retardation is sufficiently large the photoelectron will not escape. This result produces a singly charged ion, which normally would not be present. Such evidence of electron capture by the PCI effect was first shown clearly by Eberhardt et al. and, with higher resolution, in the present work. However, capture of the photoelectron is expected to be 100% exactly at the L{sub 2,3} thresholds. Thus, from the authors results they would have expected the Ar{sup 2+} signal to be zero at threshold, but it was not? The authors can explain this anomoly on the basis that during the Auger decay the photoelectrons are captured into high lying excited states of Ar{sup +}, which subsequently decay through autoionization yielding Ar{sup 2+}. Future work in this area will seek experimental evidence to verify this prediction.

  5. Removal of copper ions from aqueous solution by adlai shell (Coix lacryma-jobi L.) adsorbents.

    Science.gov (United States)

    de Luna, Mark Daniel G; Flores, Edgar D; Cenia, Marie Chela B; Lu, Ming-Chun

    2015-09-01

    Adlai shell (Coix lacryma-jobi L.) adsorbents (ASA) were used to remove copper ions from aqueous solutions under batch conditions. The effect of physical and chemical modification of ASA on Cu(II) removal was evaluated. Results showed that the high coefficients of determination for the pseudo-second order (R(2) > 0.9999) and for the intraparticle diffusion (R(2) > 0.9843) equations indicate that the rate-determining step is a combination of pore diffusion and chemisorption at low Cu(II) concentration and boundary layer, pore diffusion and chemisorption at high Cu(II) concentration. At 298K and 100 mg L(-1) Cu(II), the computed qe and k2 values were 17.2 mg g(-1) and 0.012 g mg(-1) min(-1), respectively. The Freundlich model (R(2) > 0.9636) adequately describes the experimental data indicating heterogeneous adsorption. Overall, the results of the study demonstrate the potential of adlai shell adsorbents for the removal of heavy metals from aqueous solutions. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. LE CHOLESTÉATOME DE L'OREILLE MOYENNE

    African Journals Online (AJOL)

    Figure 1 : TDM en coupe axiale post-opératoire : opacité en boule suspecte de cholestéatome. - Le scanner montre un comblement diffus et non spéci- fique des cavités tympano-mastoïdiennes et dans ce cas le scanner ne permet pas de trancher entre otite séromu- queuse, tissu cicatriciel fibro-inflammatoire et résiduel.

  7. Machines géantes pour sonder l'univers de l'atome

    CERN Multimedia

    Wilde, M, S

    1966-01-01

    To always more deeply explore the infinitely small world of the atom, Science is paradoxically brought to build buildings and machines increasingly larger - Giant accelerators producing high energy particle beams that can dissociate the structures of the atomic nucleus

  8. PC spectra analysis of L-shell copper X-pinch plasma produced by the compact generator of Ecole polytechnique

    Science.gov (United States)

    Yilmaz, M. F.; Danisman, Y.; Larour, J.; Aranchuk, L. E.

    2017-03-01

    Principal Component Analysis (PCA) is applied and compared with the line ratios of special Ne-like transitions for investigating the electron beam effects on the L-shell Cu synthetic spectra. The Principal Components (PC) of L-shell Cu are extracted over a non-LTE collisional radiative L-shell Cu model with and without presence of hot electrons to discuss the electron beam effects. Furthermore, PC spectra of Ne-like transitions are also studied as an alternative diagnostics to investigate the polarization sensitivity of these transtions. The extracted PCs are used to estimate the plasma electron temperature, density and beam fractions from a representative time-integrated spatially-resolved L-shell Cu X-pinch plasma spectrum. The experimental spectrum is produced by the explosion of 25-µm Cu wires on a compact L-C (40 kV, 200 kA, 200 ns) generator. The modeled plasma electron temperatures are about Te ˜ 125eV and ne = 5×1019 cm-3 in the presence of the fraction of the beams with f ˜ 0.05 and centered energy of ˜10 keV.

  9. Four shells atomic model to computer the counting efficiency of electron-capture nuclides; Modelo de cuatro capas para calcular la eficiencia de deteccion en nucleidos que se desintegran por captura electronica pura

    Energy Technology Data Exchange (ETDEWEB)

    Grau Malonda, A.; Fernandez Martinez, A.

    1985-07-01

    The present paper develops a four-shells atomic model in order to obtain the efficiency of detection in liquid scintillation courting, Mathematical expressions are given to calculate the probabilities of the 229 different atomic rearrangements so as the corresponding effective energies. This new model will permit the study of the influence of the different parameters upon the counting efficiency for nuclides of high atomic number. (Author) 7 refs.

  10. Antifungal Potential and Antioxidant Efficacy in the Shell Extract of Cocos nucifera (L. (Arecaceae against Pathogenic Dermal Mycosis

    Directory of Open Access Journals (Sweden)

    Nasreen Khalid Thebo

    2016-05-01

    Full Text Available Background: Coconut is a tropical fruit well known for its essential oils that have been recognized for their biological activities since ancient times. There have been no previous investigations on the essential oils from coconut shells. Method: The shell extract of Cocos nucifera (L. was prepared by the Soxhlet method and total phenolic content (TPC in the extract was determined by Folin-Ciocalteu (FC assay. The antioxidant potential of the coconut shell extract was evaluated by using the 2,2-diphenyl-1-picrylhydrazyl (DPPH radical scavenging assay. Minimum inhibitory concentration (MIC of the extract was determined by the strip method against clinically isolated dermal mycosis of 20 infected patients. Result: Total antioxidant activity varied from 92.32% to 94.20% and total phenolic content was found at 5.33 ± 0.02 mg/g in the coconut shell extract. The extract was found to be most effective as an antifungal against human pathogenic fungi, including A. niger, A. flavus, T. rubrum, M. canis, M. gypseum, A. fumigates, T. mentagrophyte and T. vercossum. The crude shell extract was highly effective against all dermal mycosis tested with the MIC ranging from 62 mm to 90 mm, whereas all fungal samples showed good inhibitory effect. Conclusion: The results of the present study provide a potential cure for microbial infections.

  11. Antifungal Potential and Antioxidant Efficacy in the Shell Extract of Cocos nucifera (L.) (Arecaceae) against Pathogenic Dermal Mycosis

    Science.gov (United States)

    Khalid Thebo, Nasreen; Ahmed Simair, Altaf; Sughra Mangrio, Ghulam; Ansari, Khalil Ahmed; Ali Bhutto, Aijaz; Lu, Changrui; Ali Sheikh, Wazir

    2016-01-01

    Background: Coconut is a tropical fruit well known for its essential oils that have been recognized for their biological activities since ancient times. There have been no previous investigations on the essential oils from coconut shells. Method: The shell extract of Cocos nucifera (L.) was prepared by the Soxhlet method and total phenolic content (TPC) in the extract was determined by Folin-Ciocalteu (FC) assay. The antioxidant potential of the coconut shell extract was evaluated by using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. Minimum inhibitory concentration (MIC) of the extract was determined by the strip method against clinically isolated dermal mycosis of 20 infected patients. Result: Total antioxidant activity varied from 92.32% to 94.20% and total phenolic content was found at 5.33 ± 0.02 mg/g in the coconut shell extract. The extract was found to be most effective as an antifungal against human pathogenic fungi, including A. niger, A. flavus, T. rubrum, M. canis, M. gypseum, A. fumigates, T. mentagrophyte and T. vercossum. The crude shell extract was highly effective against all dermal mycosis tested with the MIC ranging from 62 mm to 90 mm, whereas all fungal samples showed good inhibitory effect. Conclusion: The results of the present study provide a potential cure for microbial infections. PMID:28930122

  12. L-shell spectroscopic diagnostics of radiation from krypton HED plasma sources

    Energy Technology Data Exchange (ETDEWEB)

    Petkov, E. E., E-mail: emilp@unr.edu; Safronova, A. S.; Kantsyrev, V. L.; Shlyaptseva, V. V. [University of Nevada, Reno, Nevada 89557 (United States); Rawat, R. S.; Tan, K. S. [National Institute of Education, Nanyang Technological University, Singapore 637616 (Singapore); Beiersdorfer, P.; Brown, G. V. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Hell, N. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Dr. Remeis-Sternwarte and ECAP, Universität Erlangen-Nürnberg, 96049 Bamberg (Germany)

    2016-11-15

    X-ray spectroscopy is a useful tool for diagnosing plasma sources due to its non-invasive nature. One such source is the dense plasma focus (DPF). Recent interest has developed to demonstrate its potential application as a soft x-ray source. We present the first spectroscopic studies of krypton high energy density plasmas produced on a 3 kJ DPF device in Singapore. In order to diagnose spectral features, and to obtain a more comprehensive understanding of plasma parameters, a new non-local thermodynamic equilibrium L-shell kinetic model for krypton was developed. It has the capability of incorporating hot electrons, with different electron distribution functions, in order to examine the effects that they have on emission spectra. To further substantiate the validity of this model, it is also benchmarked with data gathered from experiments on the electron beam ion trap (EBIT) at Lawrence Livermore National Laboratory, where data were collected using the high resolution EBIT calorimeter spectrometer.

  13. Relativistic MR–MP Energy Levels for L-shell Ions of Silicon

    Science.gov (United States)

    Santana, Juan A.; Lopez-Dauphin, Nahyr A.; Beiersdorfer, Peter

    2018-01-01

    Level energies are reported for Si V, Si VI, Si VII, Si VIII, Si IX, Si X, Si XI, and Si XII. The energies have been calculated with the relativistic Multi-Reference Møller–Plesset Perturbation Theory method and include valence and K-vacancy states with nl up to 5f. The accuracy of the calculated level energies is established by comparison with the recommended data listed in the National Institute of Standards and Technology (NIST) online database. The average deviation of valence level energies ranges from 0.20 eV in Si V to 0.04 eV in Si XII. For K-vacancy states, the available values recommended in the NIST database are limited to Si XII and Si XIII. The average energy deviation is below 0.3 eV for K-vacancy states. The extensive and accurate data set presented here greatly augments the amount of available reference level energies. We expect our data to ease the line identification of L-shell ions of Si in celestial sources and laboratory-generated plasmas, and to serve as energy references in the absence of more accurate laboratory measurements.

  14. Preparation of Porous Core-Shell Poly L-Lactic Acid/Polyethylene Glycol Superfine Fibres Containing Drug.

    Science.gov (United States)

    Yang, Wenjing; He, Nongyue; Fu, Juan; Li, Zhiyang; Ji, Xuyuan

    2015-12-01

    In this paper, poly L-lactic acid (PLLA) blended with polyethylene glycol (PEG) was dissolved in methylene dichloride solution as the shell solution, and rapamycin (RAPA), was encapsulated inside the core of PLLA micro/nano fibres as a model drug. The effects of the blending ratio of PLLA to PEG, the concentration of the electrospinning solution, the voltage, the flow rate, and the encapsulation efficiency were studied. Uniform and porous RAPA-Loading PLLA fibres were obtained when the ratio of PLLA to PEG was 7/3, the concentration of PLLA was 3%, the applied voltage was 7.5 kV, and the pump speed was V(core) = 0.1 mL/h, V(shell) = 1 mL/h, repectively. The average diameter of PLLA fibres increased with the gradual increase in PLLA concentration. FTIR results showed that RAPA was successfully encapsulated into the core-co-shell PLLA fibres. Meanwhile, the RAPA-loading of coaxial electrospun PLLA fibres was significantly higher than that of the blending electrospun fibres. It was also found that the porous core-shell PLLA/PEG blending superfine fibres could regulate the appearance of pore on the surface of superfine fibres by adjusting the electrospinning parameters. The porous PLLA/PEG blending fibres can be used as drug carriers and, to improve the single way of drug release depending on the degradation of shell material to meet different need. It will be a remarkable breakthrough in the area for sustained and controlled release drug delivery system.

  15. pH Dependent Elasticity of Polystyrene-blockpoly(acrylic acid) Vesicle Shell Membranes by Atomic Force Microscopy

    NARCIS (Netherlands)

    Chen, Qi; Vancso, Gyula J.

    2011-01-01

    We assess the elastic properties of PS-b-PAA vesicle membranes under different pH values by AFM force measurements. We find that based on the shell deformation theory, the values of the estimated apparent Young's modulus of the vesicle membranes decrease as the pH of the solution increases. The

  16. K, L, and M shell datasets for PIXE spectrum fitting and analysis

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, David D., E-mail: dcz@ansto.gov.au; Crawford, Jagoda; Siegele, Rainer

    2015-11-15

    Highlights: • Differences between several datasets commonly used by PIXE codes for spectrum fitting and concentration estimates have been highlighted. • A preferred option dataset was selected which includes ionisation cross sections, fluorescence yield, Coster–Kronig probabilities and X-ray line emission rates for K, L and M subshells. • For PIXE codes differences of several tens of percent can be seen for selected elements for L and M lines depending on the data sets selected. - Abstract: Routine PIXE analysis programs, like GUPIX, GEOPIXE and PIXAN generally perform at least two key functions firstly, the fitting of K, L and M characteristic lines X-ray lines to a background, including unfolding of overlapping lines and secondly, the use of a fitted primary Kα, Lα or Mα line area to determine the elemental concentration in a given matrix. To achieve these two results to better than 3–5% the data sets for fluorescence yields, emission rates, Coster–Kronig transitions and ionisation cross sections should be determined to better than 3%. There are many different theoretical and experimental K, L and M datasets for these parameters. How they are applied and used in analysis programs can vary the results obtained for both fitting and concentration determinations. Here we discuss several commonly used datasets for fluorescence yields, emission rates, Coster–Kronig transitions and ionisation cross sections for K, L and M subshells and suggests an optimum set to obtain consistent results for PIXE analyses across a range of elements with atomic numbers from 5 ⩽ Z ⩽ 100.

  17. Production Efficiency of Cocoon Shell of Silkworm, Bombyx mori L. (Bombycidae: Lepidoptera, as an Index for Evaluating the Nutritive Value of Mulberry, Morus sp. (Moraceae, Varieties

    Directory of Open Access Journals (Sweden)

    Jalaja Suresh Kumar

    2011-01-01

    Full Text Available The nutritional efficiency of mulberry leaves consumed by silkworms, Bombyx mori L., is usually evaluated in terms of the proportion of cocoon shell weight to the amount of food ingested. The production efficiency of cocoon shell is generally used to identify the superiority of a mulberry variety for silkworm rearing. In this study the production efficiency of cocoon shell was used as an index for evaluating the nutritive value of different mulberry varieties of India. Among the varieties, V-1, having highest production efficiency of cocoon shell with less amount of food ingested and highest digestibility, is regarded as the best suitable variety with nutritive values ideal for silkworm rearing.

  18. Sacha inchi (Plukenetia volubilis L.) shell biomass for synthesis of silver nanocatalyst

    OpenAIRE

    Kumar, Brajesh; Smita, Kumari; Cumbal, Luis; Debut, Alexis

    2017-01-01

    This article describes a new approach for synthesis of silver nanostructured particles by using a Sacha inchi shell biomass (SISB). Sacha inchi shell biomass should be considered as an important source of phytochemicals for the synthesis and stabilization of silver nanoparticles (AgNPs). The characterization of AgNPs was performed by UV–vis spectroscopy, Transmission Electron Microscopy and Selected Area Electron Diffraction, indicating that AgNps were synthesized successfully with an average...

  19. Phenolic profile and antioxidant activity from non-toxic Mexican Jatropha curcas L. shell methanolic extracts.

    Science.gov (United States)

    Perea-Domínguez, Xiomara Patricia; Espinosa-Alonso, Laura Gabriela; Hosseinian, Farah; HadiNezhad, Mehri; Valdez-Morales, Maribel; Medina-Godoy, Sergio

    2017-03-01

    Jatropha curcas seed shells are the by-product obtained during oil extraction process. Recently, its chemical composition has gained attention since its potential applications. The aim of this study was to identify phenolic compounds profile from a non-toxic J. curcas shell from Mexico, besides, evaluate J. curcas shell methanolic extract (JcSME) antioxidant activity. Free, conjugate and bound phenolics were fractionated and quantified (606.7, 193.32 and 909.59 μg/g shell, respectively) and 13 individual phenolic compounds were detected by HPLC. The radical-scavenging activity of JcSME was similar to Trolox and ascorbic acid by DPPH assay while by ABTS assay it was similar to BHT. Effective antioxidant capacity by ORAC was found (426.44 ± 53.39 μmol Trolox equivalents/g shell). The Mexican non-toxic J. curcas shell is rich in phenolic compounds with high antioxidant activity; hence, it could be considerate as a good source of natural antioxidants.

  20. Auger Spectra and Different Ionic Charges Following 3s, 3p and 3d Sub-Shells Photoionization of Kr Atoms

    Directory of Open Access Journals (Sweden)

    Yehia A. Lotfy

    2006-01-01

    Full Text Available The decay of inner-shell vacancy in an atom through radiative and non-radiative transitions leads to final charged ions. The de-excitation decay of 3s, 3p and 3d vacancies in Kr atoms are calculated using Monte-Carlo simulation method. The vacancy cascade pathway resulted from the de-excitation decay of deep core hole in 3s subshell in Kr atoms is discussed. The generation of spectator vacancies during the vacancy cascade development gives rise to Auger satellite spectra. The last transitions of the de-excitation decay of 3s, 3p and 3d holes lead to specific charged ions. Dirac-Fock-Slater wave functions are adapted to calculate radiative and non-radiative transition probabilities. The intensity of Kr^{4+} ions are high for 3s hole state, whereas Kr^{3+} and Kr^{2+} ions have highest intensities for 3p and 3d hole states, respectively. The present results of ion charge state distributions agree well with the experimental data.

  1. De l'atome antique à l'atome quantique à la recherche des mystères de la matière

    CERN Document Server

    Gruber, Christian

    2013-01-01

    Les atomes et les molécules constituent les éléments fondamentaux de la matière. Cet état de fait, aujourd'hui admis par tous, repose toutefois sur un paradoxe : nul n'est en mesure d'en percevoir immédiatement la réalité. 500 ans avant notre ère, Démocrite pose pourtant les bases de ce qui deviendra la théorie atomique ; suivront vingt-cinq siècles d'interrogations et de recherches dans l'espoir de percer les secrets de l'invisible. C'est à la découverte de cette épopée scientifique et humaine que cet ouvrage invite le lecteur. Il décrit, depuis la philosophie naturelle antique jusqu'à la révolution quantique actuelle, la soif de savoir qui a guidé l'homme sur les traces de la nature ultime de la matière. Synthétique, didactique et tout spécialement conçu pour un lectorat non scientifique, il présente les principaux concepts théoriques et les expériences fondatrices qui ont progressivement transformé l'hypothèse atomique en une réalité scientifique. Un livre rare, jusqu'à pré...

  2. Modified Activated Carbon Prepared from Acorn Shells as a New Solid-Phase Extraction Sorbent for the Preconcentration and Determination of Trace Amounts of Nickel in Food Samples Prior to Flame Atomic Absorption Spectrometry.

    Science.gov (United States)

    Ebrahimi, Bahram

    2017-03-01

    A new solid-phase extraction (SPE) sorbent was introduced based on acidic-modified (AM) activated carbon (AC) prepared from acorn shells of native oak trees in Kurdistan. Hydrochloric acid (15%, w/w) and nitric acid (32.5%, w/w) were used to condition and modify AC. The IR spectra of AC and AM-AC showed that AM lead to the formation of increasing numbers of acidic functional groups on AM-AC. AM-AC was used in the SPE method for the extraction and preconcentration of Ni+2 prior to flame atomic absorption spectrometric determination at ng/mL levels in model and real food samples. Effective parameters of the SPE procedure, such as the pH of the solutions, sorbent dosage, extraction time, sample volume, type of eluent, and matrix ions, were considered and optimized. An enrichment factor of 140 was obtained. The calibration curve was linear with an R2 of 0.997 in the concentration range of 1-220 ng/mL. The RSD was 5.67% (for n = 7), the LOD was 0.352 ng/mL, and relative recoveries in vegetable samples ranged from 96.7 to 103.7%.

  3. Deformation-Induced Atomic Disordering and Reordering in Alloys with L12 Structure

    Science.gov (United States)

    Pantyukhova, O. D.; Starenchenko, S. V.; Solov'ev, A. N.; Solov'eva, Yu. V.; Starenchenko, V. A.

    2017-10-01

    The paper presents a mathematical model of thermal and strain hardening of alloys having L12 superstructure which allows calculating the atomic long-range order (LRO) parameter depending on the deformation degree under various temperature and loading conditions. The observed non-monotonic change in the atomic LRO parameter during plastic deformation occurs due to the two types of competitive processes. These processes are caused by the motion and accumulation of the deformation defects and their healing due to the migration of point defects of different nature. The competitiveness between these two types of processes leads to the periodical destruction and reconstruction of the atomic LRO parameter, while the equilibrium between them can stabilize it after which it continues to be stable despite the deformation.

  4. Antioxidant and Free Radical Scavenging Capacity of Seed and Shell Essential Oils Extracted from Abrus precatorius (L

    Directory of Open Access Journals (Sweden)

    Sunday O. Okoh

    2014-04-01

    Full Text Available Essential oils from plants have been proven safe as natural antioxidants, and few are already marketed as digestive enhancers as well as in prevention of several degenerative diseases. This study evaluated the antioxidant capacity of seed and shell essential oils of Abrus precatorius (L, a herb used for ethno-medicinal practices in Nigeria. The essential oils were obtained by hydro-distillation. The ability of the oils to act as hydrogen/electrons donor or scavenger of radicals were determined by in-vitro antioxidant assays using 2,2-diphenyl-2-picryl-hydrazyl free radical (DPPH. scavenging; 2,2′-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid (ABTS radical scavenging; lipid peroxide and nitric oxide radicals scavenging assays. The IC50 of the seed and shell oils (2.10 mg/mL and 1.20 mg/mL respectively showed that antioxidant activity is higher than that for the standard drugs (3.20 mg/mL and 3.40 mg/mL for the nitric oxide scavenging assay. The lipid peroxidation radical activity of the oils were similar to vitamin C, weak DPPH and ABTS radical scavenging activities were discovered in comparison to vitamin C and rutin. Generally, in the four antioxidant assays, a significant correlation existed between concentrations of the oils and percentage inhibition of free radicals and lipid peroxidation. The composition of A. precatorius essential oils reported earlier may account for their antioxidant capacity.

  5. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.

    Science.gov (United States)

    Xu, Xuefei; Yang, Ke R; Truhlar, Donald G

    2014-05-13

    Conventional time-dependent density functional theory (TDDFT) is based on a closed-shell Kohn-Sham (KS) singlet ground state with the adiabatic approximation, using either linear response (KS-LR) or the Tamm-Dancoff approximation (KS-TDA); these methods can only directly predict singly excited states. This deficiency can be overcome by using a triplet state as the reference in the KS-TDA approximation and "exciting" the singlet by a spin flip (SF) from the triplet; this is the method suggested by Krylov and co-workers, and we abbreviate this procedure as SF-KS-TDA. SF-KS-TDA can be applied either with the original collinear kernel of Krylov and co-workers or with a noncollinear kernel, as suggested by Wang and Ziegler. The SF-KS-TDA method does bring some new practical difficulties into play, but it can at least formally model doubly excited states and states with double-excitation character, so it might be more useful than conventional TDDFT (both KS-LR and KS-TDA) for photochemistry if these additional difficulties can be surmounted and if it is accurate with existing approximate exchange-correlation functionals. In the present work, we carried out calculations specifically designed to understand better the accuracy and limitations of the conventional TDDFT and SF-KS-TDA methods; we did this by studying closed-shell atoms and closed-shell monatomic cations because they provide a simple but challenging testing ground for what we might expect in studying the photochemistry of molecules with closed-shell ground states. To test their accuracy, we applied conventional KS-LR and KS-TDA and 18 versions of SF-KS-TDA (nine collinear and nine noncollinear) to the same set of vertical excitation energies (including both Rydberg and valence excitations) of Be, B(+), Ne, Na(+), Mg, and Al(+). We did this for 10 exchange-correlation functionals of various types, both local and nonlocal. We found that the GVWN5 and M06 functionals with nonlocal kernels in spin-flip calculations

  6. On the Treatment of l-changing Proton-hydrogen Rydberg Atom Collisions

    Science.gov (United States)

    Vrinceanu, Daniel; Onofrio, Roberto; Sadeghpour, Hossein

    2018-01-01

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

  7. Adsorption of methylene blue onto activated carbon produced from tea (Camellia sinensis L.) seed shells: kinetics, equilibrium, and thermodynamics studies*

    Science.gov (United States)

    Gao, Jun-jie; Qin, Ye-bo; Zhou, Tao; Cao, Dong-dong; Xu, Ping; Hochstetter, Danielle; Wang, Yue-fei

    2013-01-01

    Tea (Camellia sinensis L.) seed shells, the main byproduct of the manufacture of tea seed oil, were used as precursors for the preparation of tea activated carbon (TAC) in the present study. A high yield (44.1%) of TAC was obtained from tea seed shells via a one-step chemical method using ZnCl2 as an agent. The Brunauer-Emmett-Teller (BET) surface area and the total pore volumes of the obtained TAC were found to be 1 530.67 mg2/g and 0.782 6 cm3/g, respectively. The equilibrium adsorption results were complied with Langmuir isotherm model and its maximum monolayer adsorption capacity was 324.7 mg/g for methylene blue. Adsorption kinetics studies indicated that the pseudo-second-order model yielded the best fit for the kinetic data. An intraparticle diffusion model suggested that the intraparticle diffusion was not the only rate-controlling step. Thermodynamics studies revealed the spontaneous and exothermic nature of the sorption process. These results indicate that tea seed shells could be utilized as a renewable resource to develop activated carbon which is a potential adsorbent for methylene blue. PMID:23825151

  8. Sacha inchi (Plukenetia volubilis L. shell biomass for synthesis of silver nanocatalyst

    Directory of Open Access Journals (Sweden)

    Brajesh Kumar

    2017-01-01

    Full Text Available This article describes a new approach for synthesis of silver nanostructured particles by using a Sacha inchi shell biomass (SISB. Sacha inchi shell biomass should be considered as an important source of phytochemicals for the synthesis and stabilization of silver nanoparticles (AgNPs. The characterization of AgNPs was performed by UV–vis spectroscopy, Transmission Electron Microscopy and Selected Area Electron Diffraction, indicating that AgNps were synthesized successfully with an average size of 7.2 nm. Infrared spectrum measurements were carried out to hypothesize the possible biomolecules responsible for stabilization and capping of the silver nanoparticles. Then, AgNps were used as a catalyst in the presence of sunlight for the removal of methyl orange dye (MO, anionic dye from aqueous solution. The results implied AgNps to be effective photocatalyst for the decomposition of MO (∼60%, pH 2.0 from aqueous solution.

  9. Hydrogen-bonded LbL Shells for Living Cell Surface Engineering

    Science.gov (United States)

    2011-03-21

    level with conventional PSS/PAH coatings. Saccharomyces cerevisiae yeast cells were selected as a model of eukaryotic cells with completely sequenced...physics of food with health and nutrition . www.rsc.org/foodfunction MedChemComm - focusing on medicinal chemistry research, including new studies...existing approaches do not provide a reliable method for long- time functioning of individual cells due to limited diffusion of nutrition via thick shells or

  10. Atomic Scattering Factor of the ASTRO-H (Hitomi) SXT Reflector Around the Gold's L Edges

    Science.gov (United States)

    Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Maeda, Yoshitomo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsubishi, Ikuyuki; Saji, Shigetaka

    2016-01-01

    The atomic scattering factor in the energy range of 11.2 - 15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT) is reported. The large effective area of the SXT makes use of photon spectra above 10 keV viable, unlike most other X-ray satellites with total-reflection mirror optics. Presence of gold's L-edges in the energy band is a major issue, as it complicates the function of the effective area. In order to model the area, the reflectivity measurements in the 11.2 - 15.4 keV band with the energy pitch of 0.4 - 0.7 eV were made in the synchrotron beam-line Spring-8 BL01B1. We obtained atomic scattering factors f1 and f2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the L-I, II, and III transitions are identified, of which the depths are found to be roughly 60 shallower than those expected from the Henkes atomic scattering factor.

  11. On models and methods of mechanics of pneumatic tires and rubber-cord shells. Development of the ideas due to Professor V. L. Biderman

    Science.gov (United States)

    Belkin, A. E.; Mukhin, O. N.; Sorokin, F. D.

    2017-05-01

    A survey of work of Professor V. L. Biderman's scientific school concerned with the mechanics of tires and rubber-cord shells is presented. Analytical models of diagonal and radial tires aimed at analyzing their stress-strain state, calculating the critical rolling speed, and determining their operating characteristics are discussed. The theory of pneumatic lattice shells is presented in detail, and its new technical applications are considered. The equations of lattice shells of revolution are generalized to the case of nonsymmetric cord placement.

  12. Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions

    Science.gov (United States)

    Surzhykov, Andrey; Koval, Peter; Fritzsche, Stephan

    2005-01-01

    Today, the 'hydrogen atom model' is known to play its role not only in teaching the basic elements of quantum mechanics but also for building up effective theories in atomic and molecular physics, quantum optics, plasma physics, or even in the design of semiconductor devices. Therefore, the analytical as well as numerical solutions of the hydrogen-like ions are frequently required both, for analyzing experimental data and for carrying out quite advanced theoretical studies. In order to support a fast and consistent access to these (Coulomb-field) solutions, here we present the DIRAC program which has been developed originally for studying the properties and dynamical behavior of the (hydrogen-like) ions. In the present version, a set of MAPLE procedures is provided for the Coulomb wave and Green's functions by applying the (wave) equations from both, the nonrelativistic and relativistic theory. Apart from the interactive access to these functions, moreover, a number of radial integrals are also implemented in the DIRAC program which may help the user to construct transition amplitudes and cross sections as they occur frequently in the theory of ion-atom and ion-photon collisions. Program summaryTitle of program:DIRAC Catalogue number: ADUQ Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUQ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: None Computer for which the program is designed and has been tested: All computers with a license of the computer algebra package MAPLE [1] Program language used: Maple 8 and 9 No. of lines in distributed program, including test data, etc.:2186 No. of bytes in distributed program, including test data, etc.: 162 591 Distribution format: tar gzip file CPC Program Library subprograms required: None Nature of the physical problem: Analytical solutions of the hydrogen atom are widely used in very different fields of physics [2,3]. Despite of the rather simple structure

  13. Atomic scattering factor of the ASTRO-H (Hitomi) SXT reflector around the gold's L edges

    DEFF Research Database (Denmark)

    Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu

    2016-01-01

    The atomic scattering factor in the energy range of 11.2-15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT) is reported. The large effective area of the SXT makes use of photon spectra above 10 keV viable, unlike most other X-ray satellites with total-reflection mirror optics. Presence of gold's L......-edges in the energy band is a major issue, as it complicates the function of the effective area. In order to model the area, the reflectivity measurements in the 11.2-15.4 keV band with the energy pitch of 0.4-0.7 eV were made in the synchrotron beamline Spring-8 BL01B1. We obtained atomic scattering factors f1 and f...

  14. Photogenerated carriers enhancement in Cu-doped ZnSe/ZnS/L-cys self-assembled core-shell quantum dots

    Science.gov (United States)

    Cui, J. Y.; Li, K. Y.; Ren, L.; Zhao, J.; Shen, T. D.

    2016-11-01

    The photoelectron characteristics and nano-doping mechanism of Cu-doped ZnSe/ZnS/L-cys self-assembled core-shell quantum dots (QDs) are studied by surface photovoltaic (SPV) and photoacoustic (PA) techniques, XRD, HRTEM, FT-IR, UV-VIS adsorption, and Laser Raman spectra. The results suggest that the doped copper element prefers to locate at the Zn atom-vacancy of the (111) face of the QDs in the Cu2+ ion form. The defect-state levels are referred to the shallow accepter levels, leading to an obvious quantum confinement effect and a weakened n-type surface photovoltaic characteristic in the Cu-doped QDs. The quantum confinement effect strongly depends on the depth of the quantum well that is buried in the space charge region located in the graded-band-gap and at the side of the core-ZnSe. These electron structures are responsible for the increased lifetime and diffusion length of photogenerated free charge carriers, which significantly enhance the intensity of SPV response, enlarge the range of SPV response, and weaken the PA signals that are closely related to non-radiation deexcitation processes.

  15. Development of a Buried Layer Platform at the OMEGA Laser to Study Open L-Shell Spectra from Coronal (non-LTE) Plasmas

    Science.gov (United States)

    Marley, Edward; Jarrot, Charlie; Schneider, Marilyn; Kemp, Elijah; Foord, Mark; Heeter, Robert; Liedahl, Duane; Widmann, Klause; Mauche, Christopher; Brown, Greg; Emig, James

    2017-10-01

    A buried layer platform is being developed at the OMEGA laser to study the open L-shell spectra of coronal (non LTE) plasmas (ne few 1021/cm3, Te 0.8-1.2 keV) of mid Z materials. Studies have been done using a 250 μm diameter dot composed of a layer of 1200 Å thick Zn between two 600 Å thick layers of Ti, in the center of a 1000 μm diameter, 13 μm thick beryllium tamper. Lasers heat the target from both sides for up to 3 ns. The size of the microdot vs time was measured with x-ray imaging (face-on and side-on). The radiant x-ray power was measured with a low-resolution absolutely calibrated x-ray spectrometer (DANTE). The temperature was measured from the Ti helium-beta complex. The use of this platform for the verification of atomic models is discussed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  16. Modeling of L-shell radiation from Ni and Invar wire array Z-pinch experiments on the 1MA COBRA generator

    Science.gov (United States)

    Ouart, Nicholas; Shelkovenko, Tatiana

    2005-10-01

    Wire array experiments using eight 8μm pure Ni wires or eight 10μm Invar (36% of Ni and 64% of Fe) wires were carried out at the 1MA COBRA facility at Cornell. The spatially resolved, time integrated L-shell X-ray line spectra have been recorded through a 100μm slit using a flat spectrometer with a KAP crystal. A non-LTE collisional-radiative atomic kinetic model of Ni developed earlier [1] was applied to determine plasma parameters from the Ni-containing wire array experiments. The results of this modeling are presented and the interpretation of Ni radiation from Ni and Invar wire array experiments are compared and discussed. This research sponsored by the NNSA under DOE Cooperative Agreement DE-F03-02NA00057 and in part by fellowship support from the National Physical Science Consortium and Sandia National Laboratories, Albuquerque. [1] K. M. Chandler, A.S. Shlyaptseva, N.D. Ouart, S.B. Hansen, M.D. Mitchell, S. A. Pikuz, T. A. Shelkovenko, D.A. Hammer, V. Kantsyrev and D. Fedin, ``Spectroscopic Analysis of X-ray Bursts from Nichrome and Conichrome X-Pinch Plasmas,'' Rev. Sci. Instr. 75, 3702 (2004).

  17. Electronic structure of the 3d metals. An investigation by L-shell-photoionisation

    Energy Technology Data Exchange (ETDEWEB)

    Richter, T.S.

    2007-12-03

    The 3d transition metal elements from Sc to Cu have been investigated by both photo electron emission and photo absorption. Experimental spectra in the 2p energy range are discussed based on atomic multiplet models and Hartree- Fock calculations. The samples have been evaporated from an electron bombardment crucible and excited/ionized by monochromatized synchrotron radiation. Fundamental effects and the main interactions which govern the electronic structure of the 3d metal atoms are covered. Common spectral features and trends in the series are discussed as well as the importance of many body electron correlation effects. (orig.)

  18. Lead determination at ng/mL level by flame atomic absorption spectrometry using a tantalum coated slotted quartz tube atom trap.

    Science.gov (United States)

    Demirtaş, İlknur; Bakırdere, Sezgin; Ataman, O Yavuz

    2015-06-01

    Flame atomic absorption spectrometry (FAAS) still keeps its importance despite the relatively low sensitivity; because it is a simple and economical technique for determination of metals. In recent years, atom traps have been developed to increase the sensitivity of FAAS. Although the detection limit of FAAS is only at the level of µg/mL, with the use of atom traps it can reach to ng/mL. Slotted quartz tube (SQT) is one of the atom traps used to improve sensitivity. In atom trapping mode of SQT, analyte is trapped on-line in SQT for few minutes using ordinary sample aspiration, followed by the introduction of a small volume of organic solvent to effect the revolatilization and atomization of analyte species resulting in a transient signal. This system is economical, commercially available and easy to use. In this study, a sensitive analytical method was developed for the determination of lead with the help of SQT atom trapping flame atomization (SQT-AT-FAAS). 574 Fold sensitivity enhancement was obtained at a sample suction rate of 3.9 mL/min for 5.0 min trapping period with respect to FAAS. Organic solvent was selected as 40 µL of methyl isobutyl ketone (MIBK). To obtain a further sensitivity enhancement inner surface of SQT was coated with several transition metals. The best sensitivity enhancement, 1650 fold enhancement, was obtained by the Ta-coated SQT-AT-FAAS. In addition, chemical nature of Pb species trapped on quartz and Ta surface, and the chemical nature of Ta on quartz surface were investigated by X-ray photoelectron spectroscopy (XPS) and Raman Spectroscopy. Raman spectrometric results indicate that tantalum is coated on SQT surface in the form of Ta2O5. XPS studies revealed that the oxidation state of Pb in species trapped on both bare and Ta coated SQT surfaces is +2. For the accuracy check, the analyses of standard reference material were performed by use of SCP SCIENCE EnviroMAT Low (EU-L-2) and results for Pb were to be in good agreement with

  19. Ionisation D'atomes Par un Laser Carbon Dioxide Intense Par L'effet Tunnel

    Science.gov (United States)

    Xiong, Wei

    Cette these decrit des experiences d'ionisation d'atomes (Xe et K) par un laser CO_2 intense. Des spectrometres de masse et d'energie electronique ont ete developpes pour mesurer le nombre d'ions crees et l'energie des electrons acceleres par le gradient spatial du champ laser. Des details sur ces mesures sont fournis et justifies. On a mesure des energies d'electrons jusqu'a 1000eV, a une intensite de 10^{14} W/cm^2. Les mesures experimentales sont comparees avec deux types de theorie, qui decrivent le processus d'ionisation dans deux limites: l'interaction entre electron et noyau est beaucoup plus forte que celle entre electron et champ laser (processus multiphotonique), ou l'inverse (effect tunnel). Les resultats montrent que la courbe du nombre d'ions crees en fonction de l'intensite n'est pas tres sensible aux details du processus d'ionsisation. Par contre les spectres d'energie des electrons dependent fortement du processus d'ionisation, et on peut en deduire le taux d'ionisation. On trouve que la theorie multiphotonique ne fournit pas une explication satisfaisante aux resultats experimentaux, mais que la theorie de l'effet tunnel s'ajuste bien si on suppose que le seuil d'ionisation peut etre deplace legerement par le champ laser. Le deplacement necessaire du seuil est estime dans cette these, mais une explication theorique reste a trouver.

  20. Hazelnut (Corylus avellana L. Shells Extract: Phenolic Composition, Antioxidant Effect and Cytotoxic Activity on Human Cancer Cell Lines

    Directory of Open Access Journals (Sweden)

    Tiziana Esposito

    2017-02-01

    Full Text Available Hazelnut shells, a by-product of the kernel industry processing, are reported to contain high amount of polyphenols. However, studies on the chemical composition and potential effects on human health are lacking. A methanol hazelnut shells extract was prepared and dried. Our investigation allowed the isolation and characterization of different classes of phenolic compounds, including neolignans, and a diarylheptanoid, which contribute to a high total polyphenol content (193.8 ± 3.6 mg of gallic acid equivalents (GAE/g of extract. Neolignans, lawsonicin and cedrusin, a cyclic diarylheptanoid, carpinontriol B, and two phenol derivatives, C-veratroylglycol, and β-hydroxypropiovanillone, were the main components of the extract (0.71%–2.93%, w/w. The biological assays suggested that the extract could be useful as a functional ingredient in food technology and pharmaceutical industry showing an in vitro scavenging activity against the radical 1,1-diphenyl-2-picrylhydrazyl radical (DPPH (EC50 = 31.7 μg/mL with respect to α-tocopherol EC50 = 10.1 μg/mL, and an inhibitory effect on the growth of human cancer cell lines A375, SK-Mel-28 and HeLa (IC50 = 584, 459, and 526 μg/mL, respectively. The expression of cleaved forms of caspase-3 and poly(ADP-ribose polymerase-1 (PARP-1 suggested that the extract induced apoptosis through caspase-3 activation in both human malignant melanoma (SK-Mel-28 and human cervical cancer (HeLa cell lines. The cytotoxic activity relies on the presence of the neolignans (balanophonin, and phenol derivatives (gallic acid, showing a pro-apoptotic effect on the tested cell lines, and the neolignan, cedrusin, with a cytotoxic effect on A375 and HeLa cells.

  1. HPAM: Hirshfeld partitioned atomic multipoles

    Science.gov (United States)

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

    2012-02-01

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

  2. Pyrolysis and gasification of cashew nut (Anacardium occidentale L.) shell: liquid products characterization

    Energy Technology Data Exchange (ETDEWEB)

    Figueiredo, Renata Andrade; Figueiredo, Flavio Augusto Bueno; Sanchez, Caio Glauco; Sanchez, Elisabete Maria Saraiva [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Faculdade de Engenharia Mecanica. Combustion Lab.]. E-mails: flavioa@fem.unicamp.br; renataaf@fem.unicamp.br; caio@fem.unicamp.br; bete@fem.unicamp.br; Arauzo, Jesus; Sanchez, Jose Luis; Gonzalo, Alberto [University of Zaragoza (Spain). Aragon Institute of Engineering Research. Thermo-chemical Processes Group (GPT)]. E-mails: qtarauzo@unizar.es; jlsance@unizar.es; agonca@unizar.es

    2008-07-01

    The environment contamination with effluents generated in the biomass pyrolysis process has been waking up the scientific community's interest and concern in a larger number of countries, that are adopting measures to quantify and reduce the generated effluents. The pyrolysis and gasification are processes that can serve as alternative for the recovery of energy in the biomass usage. Considering that Brazil is one of the greatest world producers of biomass, the theme of the biomass usage in the generation of energy has been largely discussed. By the processes of pyrolysis and gasification, depending on the biomass type, the same can be transformed in fuel (liquid, char and gases in different proportions). However, the gases have a level of impurity that should be controlled to use it in a motor or turbine. The main impurities that should be controlled are tars, chars, ashes and nitrogenated compounds. The biomass used in this work is the cashew nut shell, from the Northeast of Brazil. In northeast there are industries that process the cashew nut which can use the cashew nut main reject (shell) as fuel, avoiding landfill sanitary deposit. By thermal conversion of the biomass in the pyrolysis and gasification process, it was quantified the production of solids (char), liquids (tar) and gases. It was evaluated the influences of the final temperature (800, 900 and 1000 deg C) and the use of N{sub 2} in pyrolysis case, and a mixture of N{sub 2} and vapor of water in the gasification case, in the amounts of char, tar and gas. The exhausted gas passes through a tar (liquid) condensation system, which consists of two glass condenser vessels cooled with a mixture of ice and water and an electrostatic precipitator. The liquid fractions are extracted with isopropanol and the sample is analyzed for CG-MS and CG-FID for the identification and quantification of the present compositions. Around 50 different composed have been detected in the liquid fraction obtained, most of

  3. Measurement of the radiative vacancy transfer probabilities from the $L_{3}$ to M and to N shells for W, Re and Pb using synchrotron radiation

    CERN Document Server

    Bonzi, E V

    2006-01-01

    The radiative vacancy transfer probabilities from L/sub 3/ to M shell, eta/sub L3/M(R) and L/sub 3/ to N shell, eta/sub L3/N(R), have been determined for W, Re and Pb. The pure elements samples were excited by monochromatic synchrotron radiation. The X-rays were generated by excitation of L/sub 3/ edge and measured using a high resolution Si(Li) detector. The experimentally determined radiative vacancy transfer probabilities were compared with the theoretical values deduced using radiative X-ray emission rates based on the relativistic Dirac-Hartree-Slater (RDHS) model. In the case of Pb, the experimental data were compared as well with experimental values of Simsek. In both cases, a good agreement was found between the datasets.

  4. NiCo2O4@TiN Core-shell Electrodes through Conformal Atomic Layer Deposition for All-solid-state Supercapacitors

    KAUST Repository

    Wang, Ruiqi

    2016-03-04

    Ternary transition metal oxides such as NiCo2O4 show great promise as supercapacitor electrode materials. However, the unsatisfactory rate performance of NiCo2O4 may prove to be a major hurdle to its commercial usage. Herein, we report the development of NiCo2O4@TiN core–shell nanostructures for all-solid-state supercapacitors with significantly enhanced rate capability. We demonstrate that a thin layer of TiN conformally grown by atomic layer deposition (ALD) on NiCo2O4 nanofiber arrays plays a key role in improving their electrical conductivity, mechanical stability, and rate performance. Fabricated using the hybrid NiCo2O4@TiN electrodes, the symmetric all-solid-state supercapacitor exhibited an impressive stack power density of 58.205 mW cm−3 at a stack energy density of 0.061 mWh cm−3. To the best of our knowledge, these values are the highest of any NiCo2O4-based all-solid-state supercapacitor reported. Additionally, the resulting NiCo2O4@TiN all-solid-state device displayed outstanding cycling stability by retaining 70% of its original capacitance after 20,000 cycles at a high current density of 10 mA cm−2. These results illustrate the promise of ALD-assisted hybrid NiCo2O4@TiN electrodes for sustainable and integrated energy storage applications.

  5. L1(0) ordering and magnetic interactions in FePt nanoparticles embedded in MgO and SiO2 shell matrices

    NARCIS (Netherlands)

    Tomou, Aphrodite; Panagiotopoulos, Ioannis; Gournis, Dimitrios; Kooi, Bart

    2007-01-01

    FePt nanoparticles have been encapsulated in insulating and protective MgO shells, using a two step chemical process, in order to prevent sintering during the heat-treatment process required for the L1(0) ordering. The FePt nanoparticles were initially prepared using a standard polyol process and

  6. Pompage optique et violation de parité dans l'atome

    Science.gov (United States)

    Bouchiat, M.-A.

    Between the original Kastler work about polarization of the Hg vapour fluorescence (1936) and the parity violation experiment in Cesium [5], we notice a relationship in the methods of investigation and in the nature of the physical problems under consideration : an illustration of the richness of the research field pioneered by Alfred Kastler. This paper adopts a phenomenological description of the Cesium parity violation experiment, without reference to electroweak theory. This allows to shed light on the peculiar features of our experiment which seem to contradict the optical pumping lore. When the 6S-7S forbidden transition in Cesium is excited, the electronic spin orientation of the 7S state exhibits two anomalies : the first one can be associated with a breakdown of a rotational invariance of the atom-radiation field system by the external dc electric field, the second one, much more fundamental, is a right-left asymmetry, Le. a manifestation of a parity violation not accounted for by conventional QED. The interpretation of this new optical pumping effect involves the introduction of three different dipole moments : the strongly suppressed magnetic dipole, an electric dipole induced by the Stark field and one directed along the spin momentum indicating the presence of the parity violating, but Tconserving, electron-nucleus interaction. When the transition is excited, the radiation field is absorbed coherently by these transition dipoles. The breakdown of the usual optical pumping rules can be explained in terms of interference between the amplitudes associated with two different dipoles. In particular, the interference of the Stark dipole with the PV dipole leads to a component of the 7S spin orientation which behaves under mirror symmetry as a polar vector, and not as an axial vector as one would normally expect for an angular momentum type quantity. Basically, the experiment consists in studying the effects upon the properties of the fluorescence light

  7. Are Hadrons Shell-Structured?

    CERN Document Server

    Palazzi, Paolo

    2007-01-01

    A stability analysis of the mass spectrum indicates that hadrons, like atoms and nuclei, are shell-structured. The mesonic shells mass series, combined with the results of a mass quantization analysis, reveals striking similarities with the nuclear shells. In addition, the mesonic mass patterns suggest solid-phase partonic bound states on an fcc lattice, compatible with a model by A. O. Barut with stable leptons as constituents, bound by magnetism. Baryonic shells grow with a lower density, and only start at shell 3 with the nucleon.

  8. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.

    Science.gov (United States)

    Roemelt, Michael; Maganas, Dimitrios; DeBeer, Serena; Neese, Frank

    2013-05-28

    A novel restricted-open-shell configuration interaction with singles (ROCIS) approach for the calculation of transition metal L-edge X-ray absorption spectra is introduced. In this method, one first calculates the ground state and a number of excited states of the non-relativistic Hamiltonian. By construction, the total spin is a good quantum number in each of these states. For a ground state with total spin S excited states with spin S' = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with MS = S,..., -S for each multiplet of spin S are obtained. The spin-orbit operator is represented by a mean-field approximation to the full Breit-Pauli spin-orbit operator and is diagonalized over this N-particle basis. This is equivalent to a quasi-degenerate treatment of the spin-orbit interaction to all orders. Importantly, the excitation space spans all of the molecular multiplets that arise from the atomic Russell-Saunders terms. Hence, the method represents a rigorous first-principles approach to the complicated low-symmetry molecular multiplet problem met in L-edge X-ray absorption spectroscopy. In order to gain computational efficiency, as well as additional accuracy, the excitation space is restricted to single excitations and the configuration interaction matrix is slightly parameterized in order to account for dynamic correlation effects in an average way. To this end, it is advantageous to employ Kohn-Sham rather than Hartree-Fock orbitals thus defining the density functional theory∕ROCIS method. However, the method can also be used in an entirely non-empirical fashion. Only three global empirical parameters are introduced and have been determined here for future application of the method to any system containing any transition metal. The three parameters were carefully calibrated using the L-edge X-ray absorption spectroscopy spectra of a test set of coordination complexes containing first row transition metals. These

  9. Bb4l event generator, interferences and off-shell effects

    CERN Document Server

    Peyruchat, Leo Paul

    2017-01-01

    Proton-proton collisions happening in LHC create lots of data. To understand the underlying physics behind these events, the real data must be compared to simulated events. A new generator,called the bb4l model, is able to simulate collisions happening in LHC with new interesting features regarding process creating two W bosons and two b quarks. One of them is that it takes interferences between different processes into account. Such effects have always been neglected in the case of top pair or single top production, but with the increasing sensitivity of the detectors it is becoming important to know precisely their amplitude. The goal of this study is to separate events generated with bb4l into different categories, and then to look at many variables and look for differences between categories.

  10. Off-shell Higgs signal strength measurement using high-mass H$\\rightarrow$ZZ$\\rightarrow$ 4l events at High Luminosity LHC

    CERN Document Server

    The ATLAS collaboration

    2015-01-01

    Several studies have shown that the high-mass off-peak regions in the H$\\rightarrow$ZZ and H$\\rightarrow$WW channels above the 2mV threshold (V=W,Z) have sensitivity to off-shell Higgs production and interference effects. This feature can be exploited to characterize the Higgs boson off-shell signal strength and its associated couplings. This note will concern prospects studies on the Higgs off-shell couplings in the High-Luminosity LHC (HL-LHC) configuration using a simplified version of the main analysis employed in a previous ATLAS paper. This study comprises the H$\\rightarrow$ZZ$\\rightarrow$4l final state only.

  11. Preparation of rifampicin/poly(d,l-lactice) nanoparticles for sustained release by supercritical assisted atomization technique

    CSIR Research Space (South Africa)

    Labuschagne, Philip W

    2014-11-01

    Full Text Available In this work supercritical assisted atomization (SAA) process was used for the co-precipitation of poly(d,l-lactide) (PDLLA) and rifampicin (RIF) as nanoparticles for sustained release applications. The effect of the variation of PDLLA/RIF ratio...

  12. Adsorption of U(VI) ions from aqueous solutions by activated carbon prepared from Antep pistachio (Pistacia vera L.) shells

    Energy Technology Data Exchange (ETDEWEB)

    Donat, Ramazan [Pamukkale Univ., Denizli (Turkey). Dept. of Chemistry; Erden, Kadriye Esen [Pamukkale Univ., Kinikli-Denizli (Turkey). Denizli Vocational School of Technical Sciences

    2017-08-01

    Antep pistachio (Pistacia vera L.) shells an abundant and low cost natural resource in Turkey was used to prepare activated carbon by physiochemical activation and carbon dioxide (CO{sub 2}) atmosphere as the activating agents at 700 C for 2 h. The adsorption equilibrium of U(VI) from aqueous solutions on such carbon has been studied using a batch system. The parameters that affect the U(VI) adsorption, such as particle size of adsorbent, contact time, of pH of the solution, and temperature, have been investigated and conditions have also been optimized. The equilibrium data for U(VI) ions' adsorption onto activated carbon well fitted to the Langmuir equation, with a maximum monolayer adsorption capacity of 8.68 mg/g, The Freundlich and Dubinin-Radushkevich (D-R) isotherms have been applied and the data correlated well with Freundlich model and that the adsorption is physical in nature (E{sub a}=15.46 kJ/mol). Thermodynamic parameters [ΔH{sub s}=11.33 kJ/mol, ΔS=0.084 kJ/molK, ΔG (293.15 K)=-13.29 kJ/mol] showed the endothermic heat of adsorption and the feasibility of the process.

  13. Hot-electron influence on L-shell spectra of multicharged Kr ions generated in clusters irradiated by femtosecond laser pulses.

    Science.gov (United States)

    Hansen, S B; Shlyaptseva, A S; Faenov, A Y; Skobelev, I Y; Magunov, A I; Pikuz, T A; Blasco, F; Dorchies, F; Stenz, C; Salin, F; Auguste, T; Dobosz, S; Monot, P; D' Oliveira, P; Hulin, S; Safronova, U I; Fournier, K B

    2002-10-01

    Strong L-shell x-ray emission has been obtained from Kr clusters formed in gas jets and irradiated by 60-500-fs laser pulses. Spectral lines from the F-, Ne- Na-, and Mg-like charge states of Kr have been identified from highly resolved x-ray spectra. Spectral line intensities are used in conjunction with a detailed time-dependent collisional-radiative model to diagnose the electron distribution functions of plasmas formed in various gas jet nozzles with various laser pulse durations. It is shown that L-shell spectra formed by relatively long nanosecond-laser pulses can be well described by a steady-state model without hot electrons when opacity effects are included. In contrast, adequate modeling of L-shell spectra from highly transient and inhomogeneous femtosecond-laser plasmas requires including the influence of hot electrons. It is shown that femtosecond-laser interaction with gas jets from conical nozzles produces plasmas with higher ionization balances than plasmas formed by gas jets from Laval nozzles, in agreement with previous work for femtosecond laser interaction with Ar clusters.

  14. Achillea millefolium L. extract mediated green synthesis of waste peach kernel shell supported silver nanoparticles: Application of the nanoparticles for catalytic reduction of a variety of dyes in water.

    Science.gov (United States)

    Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

    2017-05-01

    In this paper, silver nanoparticles (Ag NPs) are synthesized using Achillea millefolium L. extract as reducing and stabilizing agents and peach kernel shell as an environmentally benign support. FT-IR spectroscopy, UV-Vis spectroscopy, X-ray Diffraction (XRD), Field emission scanning electron microscopy (FESEM), Energy Dispersive X-ray Spectroscopy (EDS), Thermo gravimetric-differential thermal analysis (TG-DTA) and Transmission Electron Microscopy (TEM) were used to characterize peach kernel shell, Ag NPs, and Ag NPs/peach kernel shell. The catalytic activity of the Ag NPs/peach kernel shell was investigated for the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), and Methylene Blue (MB) at room temperature. Ag NPs/peach kernel shell was found to be a highly active catalyst. In addition, Ag NPs/peach kernel shell can be recovered and reused several times with no significant loss of its catalytic activity. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. l- and n-changing collisions during interaction of a pulsed beam of Li Rydberg atoms with CO2

    Science.gov (United States)

    Dubreuil, B.; Harnafi, M.

    1989-07-01

    The pulsed Li atomic beam produced in our experiment is based on controlled transversely-excited-atmospheric CO2 laser-induced ablation of a Li metal target. The atomic beam is propagated in vacuum or in CO2 gas at low pressure. Atoms in the beam are probed by laser-induced fluorescence spectroscopy. This allows the determination of time-of-flight and velocity distributions. Li Rydberg states (n=5-13) are populated in the beam by two-step pulsed-laser excitation. The excited atoms interact with CO2 molecules. l- and n-changing cross sections are deduced from the time evolution of the resonant or collision-induced fluorescence following this selective excitation. l-changing cross sections of the order of 104 AṦ are measured; they increase with n as opposed to the plateau observed for Li* colliding with a diatomic molecule. This behavior is qualitatively well explained in the framework of the free-electron model. n-->n' changing processes with large cross sections (10-100 AṦ) are also observed even in the case of large electronic energy change (ΔEnn'>103 cm-1). These results can be interpreted in terms of resonant-electronic to vibrational energy transfers between Li Rydberg states and CO2 vibrational modes.

  16. Feasibility study of thin films deposited on a self-supporting carbon grid substrate target on the measurement of atomic inner-shell ionization cross-sections impacted by 3-30 keV electrons

    Science.gov (United States)

    Qian, Z. C.; Wu, Y.; Chang, C. H.; Yuan, Y.; Mei, C. S.; Zhu, J. J.; Moharram, K.

    2017-04-01

    In this paper, we have measured the Lα , Lβ and Mα β X-ray production cross-sections of the W element and the K-shell ionization cross-sections of the Al element impacted by 3-30 keV electrons. A new kind of target consisting of a thin film deposited on a self-supporting carbon grid substrate has been used in this work. The self-supporting carbon grid substrate is made of several layers of super-aligned carbon nanotube arrays (the mass thickness of each layer of super-aligned carbon nanotube arrays is 20 μg/cm2). As a comparison, three kinds of targets consisting of a) the studied element deposited onto four layers of super-aligned carbon nanotube arrays and separated from each other by one layer of single carbon atoms, b) the studied element deposited directly onto four layers of super-aligned carbon nanotube arrays, and c) the studied element deposited directly onto two layers of super-aligned carbon nanotube arrays, were respectively prepared to figure out which type is fit for the measurement of inner-shell ionization cross-sections induced by 3-30 keV electrons. The experimental data are compared with the distorted-wave Born approximation (DWBA) theoretical predictions and with the available experimental data from other references. The results show that the first and the second targets are both suitable for the inner-shell ionization cross-section measurements by 3-30 keV electrons, but the third target is not. Besides, we present the M-shell X-ray production cross-sections of the W element by 5-30 keV electrons in this paper for the first time.

  17. Absolute L-shell ionization and X-ray production cross sections of Lead and Thorium by 16-45 keV electron impact

    CERN Document Server

    Rahangdale, H V; De, S; Santos, J P; Mitra, D; Guerra, M; Saha, S

    2015-01-01

    The absolute L subshell specific electron impact ionization cross sections near the ionization threshold (16 < E < 45 keV) of Lead and Thorium are obtained from the measured L X-ray production cross sections. Monte Carlo simulation is done to account for the effect of the backscattered electrons and the final experimental results are compared with calculations performed using distorted wave Born approximation and the modified relativistic binary encounter Bethe model.The sensitivity of the results on the atomic parameters is explored. Observed agreements and discrepancies between the experimental results and theoretical estimates, and their dependence on the specific atomic parameters are reported.

  18. Design of an experimental setup to measure the K-shell photoelectric cross sections and other atomic parameters at K edge

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Alvarez, J.A.; Lopez-Pino, N.; Rizo, O. Diaz; Corrales, Y.; Padilla-Cabal, F.; Perez-Liva, M.; Alessandro, K.D.; Maidana, N.L. [Instituto Superior de Tecnologia y Ciencias Aplicadas (InSTEC), La Habana (Cuba)

    2010-07-01

    Full text: An experimental setup to measure the K shell jump ratio, jump factor and the ratio of total to K-shell photo-electric cross section at K edge was designed with Monte Carlo (MC) simulations, using the MCNPX V 2.6 code. In our arrangement, Bremsstrahlung photons, produced by beta particles from a {sup 90}Sr- {sup 90}Y source (activity - 0.1 mCi) hitting a thin Nickel converter, were used to irradiate the targets. The incident and transmitted spectra were measured with an HPGe detector coupled to conventional electronics. A sharp decrease in intensity at the K-shell binding energy was observed in the transmitted spectra, which, after corrections for photon attenuation, showed the known behavior for the photoelectric cross section as function of photon energy. The photon beam divergence effects were corrected with a calibration curve calculated with MC from simulations of a parallel and a divergent beam. Targets of Dy, Ta, Pt and Au were used to test the setup. The obtained data were processed by fitting either the total cross section to a sigmoidal function or the cross section branches around the K edge to the empirical law {sigma} = (A/E){sup n}. The results obtained using the first method show the influence of detector energy resolution in the data, because the measured jump at the K edge is not so sharp as it should be. Furthermore, additional calculations were done to obtain the anomalous scattering factors and the K-shell oscillator strengths. The values obtained for the K-shell photoelectric cross sections were compared with theoretical and other experimental data. In most cases, relative deviations below 10% were found. (author)

  19. Accélération d'atomes ultrafroids: vers une mesure de h/M{Rb}

    Science.gov (United States)

    Cladé, P.; Battesti, R.; Guellati-Khélifa, S.; Schwob, C.; Grémaud, B.; Nez, F.; Julien, L.; Biraben, F.

    2004-11-01

    Le but de l'expérience est la mesure de la vitesse de recul d'atomes de rubidium. Une determination du rapport h/MRb ainsi que de la constante de structure fine α peuvent en être déduites. Les mesures préliminaires que nous avons effectuées conduisent à une incertitude de 0,4 ppm sur h/M87Rb.

  20. Three L-subshells atomic model to compute counting efficiency of electron-capture nuclides; Modelo con tres subcapas L para calcular la eficiencia de recuento de nucleidos que se desintegran por captura electronica

    Energy Technology Data Exchange (ETDEWEB)

    Grau, A.; Arcos, J. M. los

    1986-07-01

    The present paper develops a three L-subshell a and K, M-a hells atomic model in order to obtain the counting efficiency in liquid scintillation counting. Mathematical expressions are given to calculate the probabilities of 264 different atomic rearrangement way so as the corresponding effective energies. This new model will permit to test the influence of the different atomic and nuclear parameters upon the counting efficiency nuclides of low and medium atomic number decaying by electron capture. (Author) 8 refs.

  1. MM and subMM molecular line observations of the southwest lobe of L1551: Evidence of a shell structure

    Science.gov (United States)

    Rainey, R.; White, G. J.; Richardson, K. J.; Griffin, M. J.; Cronin, J.; Hilton, J.; Monteiro, T. S.

    1986-01-01

    Observations have been made of the southwest outflow lobe of L1551 in several millimeter and submillimeter molecular lines. Maps have been made in the J=3-2 and J=2-1 transitions of CO over areas of 7.5 by 2.5 arc minutes and 5 by 5 arc minutes respectively at UKIRT. More detailed maps have also been made in the J=2-1 CO transition over an area of about 6 by 3.5 arc minutes at the NRAO 12m telescope. Additional observations of the J=4-3 transitions of HCN, HCO(+) abd H(13)CO(+) were made at selected positions. The HC(+) J=4-3 transition was detected at several positions along the outflow axis and at the position of IRS 5. Similarly the HCN J=4-3 transition was detected at the position of IRS 5 and also at a position close to HH29. However, the J=4-3 transition of H(13)CO(+) was bit detected at the position of IRS 5 even through it was observed at the position close to HH29 with a peak corrected antenna temperature of 0.23K at a V(LSR) of 1 km s(-1). The detection of the J=4-3 transitions of both HCO(+) and H(13)CO(+) close to the position of HH29 suggest the presence of very dense gas in this region. LVG analysis of the various molecular lines observed give a kinetic temperature between 10 and 15K and a density from 10(5) to 10(6) cm(-3) at the position of IRS 5 at the ambient cloud velocity. At the position close to HH29 LVG analysis of the CO observations gives a density between 10(3) and 10(4) cm(-3) at a kinetic temperature of 25k for a V(LSR) of 0 km s(-1). To the southwest of HH29 there is a large decrease in both the linewidth and intensity of CO emission. This may be due to the interaction between the outflow and a dense clump of gas which gives rise to HH29. The maps of the CO J=3-2 and CO J=2-1 emission integrated in 3.25 km s intervals show the shell structure postulated by Snell and Schloerb (1985).

  2. Atomes une exploration visuelle de tous les éléments connus dans l'univers

    CERN Document Server

    Gray, Theodore

    2013-01-01

    Quelle est leur température critique ? Qu'est-ce que la masse atomique, la densité d'un matériau, l'ordre de remplissage des électrons ? Cet ouvrage invite avec pédagogie et humour à un passionnant voyage au pays des éléments, à partir de leur tableau périodique universel. Soutenue par une exploration visuelle qui montre l'élément à l'état pur mais aussi ses composés et ses applications les plus caractéristiques dans la vie quotidienne, cette approche pratique offre une combinaison parfaite de science chimique et de photographies, qui séduira les lecteurs les plus avertis comme tous les autres habitants sensibles de l'univers.

  3. L'ultime atome de Démocrite au boson de Higgs et au-delà

    CERN Document Server

    Klein, Etienne

    2016-01-01

    L'enjeu de ce dialogue entre un spécialiste de la pensée antique, Heinz Wismann, et un théoricien de la physique moderne, Etienne Klein, est de retracer la longue histoire de l'idée de l'atome qui n'a cessé de hanter l'imagination des chercheurs. Il ressort de cette reconstruction des étapes successives de l'atomisme que, même si les moyens de vérification changent d'une époque à l'autre, c'est le génie créatif des savants qui, d'hypothèses en hypothèses, fait progresser les découvertes. De Démocrite, qui au Ve siècle avant notre ère pense au vide dynamique, à la théorie moderne de l'atome, ce sont des hypothèses spéculatives qui ont fait bouger les lignes ; pour progresser, la science a besoin de "penser". Avec ces deux complices, il sera démontré de façon vivante et passionnante que la jonction se fait entre la science la plus avancée et la culture, que tout commence toujours par la pensée, la spéculation, c'est-à-dire quelque chose qui n'est pas encore schématisé.

  4. L-shell X-ray production cross sections of Ce, Nd, Sm, Eu, Gd, and Dy by impact of {sup 14}N{sup 2+} ions with energies between 7.0 MeV and 10.5 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Murillo, G.; Méndez, B.; López-Monroy, J. [Departamento de Aceleradores, Instituto Nacional de Investigaciones Nucleares, Carr. México-Toluca S/N, Ocoyoacac, Edo. Méx. 52750 (Mexico); Miranda, J., E-mail: miranda@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, A.P. 20-364, México, Cd. Mx. 01000 (Mexico); Villaseñor, P. [Departamento de Aceleradores, Instituto Nacional de Investigaciones Nucleares, Carr. México-Toluca S/N, Ocoyoacac, Edo. Méx. 52750 (Mexico)

    2016-09-15

    Highlights: • A new data set of L X-ray production cross sections by nitrogen ion impact is given. • The target elements have atomic numbers in the range 58–66 (lanthanoids). • A universal scaling as function of a reduced velocity variable is applied. • The eCPSSR model with EC and MI corrections gives very good results. - Abstract: L-shell X-ray production cross sections from the lanthanoid elements Ce, Nd, Sm, Eu, Gd, and Dy, induced by the impact of {sup 14}N{sup 2+} ions with energies in the interval 7.0 MeV to 10.5 MeV (0.50 MeV/μ to 0.75 MeV/μ), were measured and then compared with theoretical calculations obtained with the ECPSSR model with exact limits of integration (eCPSSR) and related corrections. These include the electron capture by the incoming ion and multiple ionizations of higher shells. Data from this work were contrasted with previously published L X-ray production cross sections for {sup 14}N{sup 2+} ion impact. As with other ions, a universal behavior is found when L{sub α} and L{sub γ} X-ray production cross sections are plotted as a function of reduced velocity parameters. The agreement with theoretical predictions was very good when the corrections were applied to the eCPSSR model.

  5. Viewpoint: A Contributory Role of Shell Ginger (Alpinia zerumbet (Pers. B.L. Burtt & R.M. Sm for Human Longevity in Okinawa, Japan?

    Directory of Open Access Journals (Sweden)

    Rolf Teschke

    2018-01-01

    Full Text Available The longevity of the population in the Okinawa Islands of Japan has been ascribed to genetic factors and the traditional Okinawa cuisine, which is low in calories and high in plant content. This diet includes shell ginger (Alpinia zerumbet (Pers. B.L. Burtt & R.M. Sm of the ginger family (Zingiberaceae. Due to its local popularity, Alpinia zerumbet has become the subject of a good deal of study at the University of the Ryukyus in Okinawa. Personal local experience and review of the literature now suggest that culinary shell ginger may contribute to longevity among the population in Okinawa. This is supported by its abundant phytochemical content, with antioxidant and anti-obesity properties. The major bioactive phytochemicals are dihydro-5,6-dehydrokawain (DDK; 80–410 mg g−1 fresh weight, 5,6-dehydrokawain (DK; ≤100 mg g−1, and essential oils, phenols, phenolic acids, and fatty acids (≤150 mg g−1 each. Further, Alpinia zerumbet extends the lifespan in animals by 22.6%. In conclusion, culinary shell ginger may significantly contribute to human longevity in Okinawa.

  6. Arborescent Unimolecular Micelles: Poly(γ-Benzyl l-Glutamate Core Grafted with a Hydrophilic Shell by Copper(I-Catalyzed Azide–Alkyne Cycloaddition Coupling

    Directory of Open Access Journals (Sweden)

    Mario Gauthier

    2017-10-01

    Full Text Available Amphiphilic copolymers were obtained by grafting azide-terminated polyglycidol, poly(ethylene oxide, or poly(2-hydroxyethyl acrylate chain segments onto alkyne-functionalized arborescent poly(γ-benzyl l-glutamate (PBG cores of generations G1–G3 via copper(I-catalyzed azide–alkyne Huisgen cycloaddition (CuAAC coupling. The alkyne functional groups on the arborescent PBG substrates were either distributed randomly or located exclusively at the end of the chains added in the last grafting cycle of the core synthesis. The location of these coupling sites influenced the ability of the arborescent copolymers to form unimolecular micelles in aqueous environments: The chain end grafting approach provided enhanced dispersibility in aqueous media and favored the formation of unimolecular micelles in comparison to random grafting. This is attributed to a better defined core-shell morphology for the copolymers with end-grafted shell segments. Aqueous solubility also depended on the type of material used for the shell chains. Coupling by CuAAC opens up possibilities for grafting a broad range of polymers on the arborescent substrates under mild conditions.

  7. Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

    Energy Technology Data Exchange (ETDEWEB)

    Nagasaka, Masanari; Hatsui, Takaki; Setoyama, Hiroyuki; Ruehl, Eckart [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Kosugi, Nobuhiro, E-mail: kosugi@ims.ac.j [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan)

    2011-01-15

    Surface-site resolved Kr 3d{sub 5/2}{sup -1}5p and 3d{sub 5/2}{sup -1}6p and Xe 4d{sub 5/2}{sup -1}6p and 4d{sub 5/2}{sup -1}7p Rydberg excited states in small van der Waals Kr and Xe clusters with a mean size of = 15 are investigated by X-ray absorption spectroscopy. Furthermore, surface-site resolved Kr 4s{sup -2}5p, 4s{sup -2}6p, and 4s{sup -1}4p{sup -1}5p shakeup-like Rydberg states in small Kr clusters are investigated by resonant Auger electron spectroscopy. The exchange interaction of the Rydberg electron with the surrounding atoms and the induced polarization of the surrounding atoms in the singly and doubly ionized atoms are deduced from the experimental spectra to analyze different surface-site contributions in small clusters, assuming that the corner, edge, face, and bulk sites have 3, 5-6, 8, and 12 nearest neighbor atoms. These energies are almost proportional to the number of the nearest neighbor atoms. The present analysis indicates that small Kr and Xe clusters with = 15 have an average or mixture structure between the fcc-like cubic and icosahedron-like spherical structures.

  8. TiO2/ZnO and ZnO/TiO2 core/shell nanofibers prepared by electrospinning and atomic layer deposition for photocatalysis and gas sensing

    Science.gov (United States)

    Boyadjiev, Stefan I.; Kéri, Orsolya; Bárdos, Péter; Firkala, Tamás; Gáber, Fanni; Nagy, Zsombor K.; Baji, Zsófia; Takács, Máté; Szilágyi, Imre M.

    2017-12-01

    In the present work, core TiO2 and ZnO oxide nanofibers were prepared by electrospinning, then shell oxide (ZnO, TiO2) layers were deposited on them by atomic layer deposition (ALD). The aim of preparing ZnO and TiO2 nanofibers, as well as ZnO/TiO2 and TiO2/ZnO nanocomposites is to study the interaction between the oxide materials when a pure oxide fiber is covered with thin film of the other oxide, and explore the influence of exchanging the core and shell materials on their photocatalytic and gas sensing properties. The composition, structure and morphology of the pure and composite nanofibers were studied by SEM-EDX, TEM, XRD, FTIR, UV-vis and Raman. The photocatalytic activity of the as-prepared materials was analyzed by UV-vis spectroscopy through decomposing aqueous methyl orange under UV irradiation. The gas sensing of the nanofibers was investigated by detecting 100 ppm NH3 at 150 and 220 °C using interdigital electrode based sensors.

  9. Screening single-atom catalysts for methane activation: α -A l2O3(0001 ) -supported Ni

    Science.gov (United States)

    Gao, Fei; Gao, Shiwu; Meng, Sheng

    2017-08-01

    Methane activation is one of the biggest challenges for chemical conversion of hydrocarbons and fundamental science. We systematically screen d -block transition metal elements as potential candidates of single-atom catalysts (SACs) for methane dissociation. The adsorption of methane on free metal atoms strongly depends on the number of d electrons of SAC, where the maximum binding energy is formed with the Ni group (electronic configuration d8s2 or d9s1 ). Interestingly, the magnetic moment of the SACs decreases by 2 μB for strong interactions, suggesting that the methane-metal bond forms a spin singlet state involving two electrons of opposite spins. To examine the effect of substrates, the screened transition metals, Ni, Rh, and Pt are further put onto prototype metal oxide surfaces. The substrate dramatically modifies the discrete energy levels of a single metal and its catalytic properties. Single Ni atoms supported on an O-terminated α -A l2O3(0001 ) surface (N i1/A l2O3 ) show superior catalytic properties, with a low activation barrier of 0.4 eV (0.11 eV after zero-point energy correction) for the C-H bond dissociation and simultaneously an extreme stability with a high binding energy of ˜9.39 eV for the Ni anchor. This work identifies N i1/A l2O3 catalyst as an optimal SAC and offers new atomistic insights into the mechanism of methane activation on SACs.

  10. Atomic Structure of Au−Pd Bimetallic Alloyed Nanoparticles

    KAUST Repository

    Ding, Yong

    2010-09-08

    Using a two-step seed-mediated growth method, we synthesized bimetallic nanoparticles (NPs) having a gold octahedron core and a palladium epitaxial shell with controlled Pd-shell thickness. The mismatch-release mechanism between the Au core and Pd shell of the NPs was systematically investigated by high-resolution transmission electron microscopy. In the NPs coated with a single atomic layer of Pd, the strain between the surface Pd layer and the Au core is released by Shockley partial dislocations (SPDs) accompanied by the formation of stacking faults. For NPs coated with more Pd (>2 nm), the stacking faults still exist, but no SPDs are found. This may be due to the diffusion of Au atoms into the Pd shell layers to eliminate the SPDs. At the same time, a long-range ordered L11 AuPd alloy phase has been identified in the interface area, supporting the assumption of the diffusion of Au into Pd to release the interface mismatch. With increasing numbers of Pd shell layers, the shape of the Au-Pd NP changes, step by step, from truncated-octahedral to cubic. After the bimetallic NPs were annealed at 523 K for 10 min, the SPDs at the surface of the NPs coated with a single atomic layer of Pd disappeared due to diffusion of the Au atoms into the surface layer, while the stacking faults and the L11 Au-Pd alloyed structure remained. When the annealing temperature was increased to 800 K, electron diffraction patterns and diffraction contrast images revealed that the NPs became a uniform Au-Pd alloy, and most of the stacking faults disappeared as a result of the annealing. Even so, some clues still support the existence of the L11 phase, which suggests that the L11 phase is a stable, long-range ordered structure in Au-Pd bimetallic NPs. © 2010 American Chemical Society.

  11. Atom-Precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.

    Science.gov (United States)

    Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan

    2018-01-17

    To realize the molecular design of new functional silver(I) clusters, a new synthetic approach has been proposed, by which the weakly coordinating ligands NO3- in a Ag20 thiolate cluster precursor can be substituted by carboxylic ligands while keeping its inner core intact. By rational design, novel atom-precise carboxylic or amino acid protected 20-core Ag(I)-thiolate clusters have been demonstrated for the first time. The fluorescence and electrochemical activity of the postmodified Ag20 clusters can be modulated by alrestatin or ferrocenecarboxylic acid substitution. More strikingly, when chiral amino acids were used as postmodified ligands, CD-activity was observed for the Ag20 clusters, unveiling an efficient way to obtain atom-precise chiral silver(I) clusters.

  12. Interplay between elastic interactions in a core-shell model for spin-crossover nanoparticles

    Science.gov (United States)

    Oubouchou, H.; Slimani, A.; Boukheddaden, K.

    2013-03-01

    A coupled spin deformation model for spin-crossover (SC) materials, consisting of distortable 2D square-shaped lattices, whose sites may be occupied by high-spin (HS) or low-spin (LS) atoms, is studied by Monte Carlo simulations. To be consistent with the experimental studies, we have studied shell-free and core-shell nanoparticles. In the case of shell-free nanoparticles, we constrained the surface of the nanoparticle (one layer) to be in the HS state from the electronic and the elastic point of view because the surface atoms have weaker ligand-field energy than those of the bulk. We then investigated the size effects and found that the thermal hysteresis width ΔT and the transition temperature Teq follow the respective universal laws, ΔT∝(L-L0) and Teq∝ln(L-Lc), where L is the nanoparticle size. These laws hold independently of the sweeping rate of temperature. In a second stage, we studied the effect of a soft shell on the thermal properties of the core shell nanoparticle for which we have investigated the thermodynamic properties at various sizes of the shell. We find that the thermal hysteresis shifts downwards and the corresponding width increases; a result that contrasts with that of shell-free nanoparticles. In addition, we have observed that large shell size widths hinder the domain formation upon the first-order transition, although the transition is still of first order. These behaviors originate from the elastic stress produced by the shell on the bulk of the nanoparticle, and are identified through the spatial distribution of the internal stress upon the thermal transition. Moreover, we studied the effect of the shell size on the relaxation of the photoinduced metastable HS fraction at low temperature. At this end, a preliminary optimization of the structure of the nanoparticle is performed. We then evidenced that increasing the size of the shell results in an acceleration of the relaxation process. This behavior is in excellent agreement with

  13. Mn site substitution of La0.67Ca0.33MnO3 with closed shell ions ...

    Indian Academy of Sciences (India)

    1019–1026. Mn site substitution of La0.67Ca0.33MnO3 with closed shell ions: Effect on magnetic transition temperature. L SEETHA LAKSHMI, V SRIDHARAN, D V NATARAJAN,. V SANKARA SASTRY and T S RADHAKRISHNAN. Materials Science Division, Indira Gandhi Centre for Atomic Research,. Kalpakkam 603 102 ...

  14. Emission rates of Gd L sub-shell proton induced X-rays as a function of projectile energy

    Energy Technology Data Exchange (ETDEWEB)

    Canto, C.E.; Lucio, O.G. de, E-mail: olucio@comunidad.unam.mx; Pineda, J.C.

    2013-11-15

    In this work, relative intensities of Gd characteristic L X-ray were measured, which were induced by proton bombardment over a thin film made by deposition of GdF{sub 3} over a pyrolytic carbon substrate. Relative intensities were recorded as a function of the proton energy (ranging from 200 to 700 keV) and also as a function of a parameter defined as the reduced velocity of the incident particle. Results are presented as intensity ratios for the different L transitions observed, measured with respect to the total number of X-ray photons recorded; the energy dependence of the intensity ratios (L{sub β}/L{sub α},L{sub γ}/L{sub α},L{sub γ}/L{sub β},L{sub l}/L{sub α},L{sub l}/L{sub γ}) is shown and acquired data is compared with similar previous measurements, as well as with theoretical predictions [1] based on the ECPSSR theory and a 4th degree polynomial fit of data; a comparison between theoretical predictions and the polynomial fit was performed in order to provide an empirical correcting factor.

  15. Atomic Structure and Biochemical Characterization of an RNA Endonuclease in the N Terminus of Andes Virus L Protein.

    Directory of Open Access Journals (Sweden)

    Yaiza Fernández-García

    2016-06-01

    Full Text Available Andes virus (ANDV is a human-pathogenic hantavirus. Hantaviruses presumably initiate their mRNA synthesis by using cap structures derived from host cell mRNAs, a mechanism called cap-snatching. A signature for a cap-snatching endonuclease is present in the N terminus of hantavirus L proteins. In this study, we aimed to solve the atomic structure of the ANDV endonuclease and characterize its biochemical features. However, the wild-type protein was refractory to expression in Escherichia coli, presumably due to toxic enzyme activity. To circumvent this problem, we introduced attenuating mutations in the domain that were previously shown to enhance L protein expression in mammalian cells. Using this approach, 13 mutant proteins encompassing ANDV L protein residues 1-200 were successfully expressed and purified. Protein stability and nuclease activity of the mutants was analyzed and the crystal structure of one mutant was solved to a resolution of 2.4 Å. Shape in solution was determined by small angle X-ray scattering. The ANDV endonuclease showed structural similarities to related enzymes of orthobunya-, arena-, and orthomyxoviruses, but also differences such as elongated shape and positively charged patches surrounding the active site. The enzyme was dependent on manganese, which is bound to the active site, most efficiently cleaved single-stranded RNA substrates, did not cleave DNA, and could be inhibited by known endonuclease inhibitors. The atomic structure in conjunction with stability and activity data for the 13 mutant enzymes facilitated inference of structure-function relationships in the protein. In conclusion, we solved the structure of a hantavirus cap-snatching endonuclease, elucidated its catalytic properties, and present a highly active mutant form, which allows for inhibitor screening.

  16. In vitro hypoglycemic and cholesterol lowering effects of dietary fiber prepared from cocoa (Theobroma cacao L.) shells.

    Science.gov (United States)

    Nsor-Atindana, John; Zhong, Fang; Mothibe, Kebitsamang Joseph

    2012-10-01

    Three dietary fiber (DF) powders; soluble dietary fiber (SDF), insoluble dietary fiber (IDF) and total dietary fiber (TDF) were prepared from cocoa bean shells (CBS) by enzymatic treatment. These DFs were evaluated for their effects on glucose adsorption, glucose diffusion, starch hydrolysis, cholesterol binding, sodium cholate binding and oil binding capacities using in vitro model systems by simulating gastric intestinal conditions. The results showed that SDF generally exhibited significantly (p 0.05) glucose dialysis retardation index (GDRI) and oil binding capacity, when compared with IDF and TDF which both showed similar effects. Moreover, it was discovered that the three CBS dietary fiber powders contained intrinsic antioxidants (phenolic compounds). The study suggested that CBS could be an alternative cheap source of DF with additional benefits. Thus, CBS fibers could be incorporated as low calorie bulk ingredients in high-fiber diet to reduce calorie and cholesterol levels and control blood glucose level.

  17. The industrial development of atomic energy; Le developpement industriel de l'energie atomique

    Energy Technology Data Exchange (ETDEWEB)

    Kowarski, L. [Commissariat a l' Energie Atomique, Paris (France). Centre d' Etudes Nucleaires

    1955-07-01

    Countries with large stock of fissile material and producing large quantity of nuclear pure {sup 235}U and {sup 239}Pu are able to allocate part of the stock to non military research. For countries with low stock of fissile material, all the stock is allocated to military research. An economical and technical solution has to be find to dedicate a part of fissile material to non military research and develop the atomic energy industry. It stated the industrial and economical problems and in particular the choice between the use of enriched fuel with high refining cost or depleted fuel with low production cost. It discusses of four possible utilizations of the natural resources: reactors functioning with pure fissile material ({sup 235}U or {sup 239}Pu) or concentrated material ({sup 235}U mixed with small quantities of {sup 238}U after an incomplete isotopic separation), breeder reactors functioning with enriched material mixed with {sup 238}U or Thorium placed in an appropriate spatial distribution to allow neutrons beam to activate {sup 238}U or Thorium with the regeneration of fissile material in {sup 239}Pu, reactors using natural uranium or low enriched uranium can also produce Plutonium with less efficiency than breeder reactors and the last solution being the use of natural uranium with the only scope of energy production and no production of secondary fissile material. The first class using pure fissile material has a low energy efficiency and is used only by large fissile material stock countries to accumulate energy in small size fuel for nuclear engines researches for submarines and warships. The advantage of the second class of reactors, breeder reactors, is that they produce energy and plutonium. Two type of breeder reactor are considered: breeder reactor using pure fissile material and {sup 238}U or breeder reactor using the promising mixture of pure fissile material and Thorium. Different projects are in phase of development in United States, England

  18. K-, L- and M-shell X-ray productions induced by krypton ions in the 0.8-1.6 MeV/amu range

    Science.gov (United States)

    Gorlachev, I.; Gluchshenko, N.; Ivanov, I.; Kireyev, A.; Alexandrenko, V.; Kurakhmedov, A.; Platov, A.; Zdorovets, M.

    2017-09-01

    The K-, L- and M-shells X-ray production cross sections induced by krypton ions for a range target elements from Ti to Bi were measured. In the experiments the thin films were irradiated by 84Kr particles with projectile energies of 67.2, 84.0, 100.8, 117.6 and 134.4 MeV. An approach based on the use of Mo grid with 500 nm deposited bismuth layer as a beam monitor was developed to determine the amount of particles delivered on the sample. The efficiency of the X-ray detector was determined using the calibration radioactive sources. The experimental results were compared to the predictions of the ECPSSR and PWBA theories calculated with the ISICS code.

  19. Shell supports

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2004-01-01

    A new statical and conceptual model for membrane shell structures - the stringer system - has been found. The principle was first published at the IASS conference in Copenhagen (OHL91), and later the theory has been further developed (ALMO3)(ALMO4). From the analysis of the stringer model it can...... be concluded that all membrane shells can be described by a limited number of basic configurations of which quite a few have free edges....

  20. Atom interferometry with lithium atoms: theoretical analysis and design of an interferometer, applications; Interferometrie atomique avec l'atome de lithium: analyse theorique et construction d'un interferometre, applications

    Energy Technology Data Exchange (ETDEWEB)

    Champenois, C

    1999-12-01

    This thesis is devoted to studies which prepared the construction of an atom Mach-Zehnder interferometer. In such an interferometer, the propagating waves are spatially separated, and the internal state of the atom is not modified. The beam-splitters are diffraction gratings, consisting of standing optical waves near-resonant with an atomic transition. We use the Bloch functions to define the atom wave inside the standing wave grating and thus explain the diffraction process in different cases. We developed a nearly all-analytical model for the propagation of an atom wave inside a Mach-Zehnder interferometer. The contrast of the signal is studied for many cases: phase or amplitude gratings, effects of extra paths, effects of the main mismatches, monochromatic or lightly polychromatic sources. Finally, we discuss three interferometric measurements we think very interesting. The first, the index of refraction of gas for atomic waves, is studied in detail, with numerical simulations. The other measures we propose deal with the electrical properties of lithium. We discuss the ultimate limit for the measure of the static electric polarizability of lithium by atomic interferometry. Then, we discuss how one could measure the possible charge of the lithium atom. We conclude that an optically cooled and collimated atom beam would improve precision. (author)

  1. Non-perturbative study of rotationally induced inner-shell excitation

    Science.gov (United States)

    Wille, U.

    1982-03-01

    Within the time-dependent formulation of atomic scattering theory, the exponential representation (“Magnus expansion”) of the quantum mechanical time-evolution matrix is used in a non-perturbative study of rotationally induced inner-shell excitation in slow ion-atom collisions. The impact-parameter dependence of this type of process is shown to represent a transparent example for testing the convergence properties of the Magnus expansion. The specific structure of the Magnus expansion for multi-state rotational coupling in the vicinity of a united-atom ( n, l) shell is investigated, and the analytic solution which this problem admits in the sudden limit is discussed. Explicit calculations within the Magnus approach have been performed for typical two-state and three-state problems relevant to K-shell and L-shell excitation. Their results are compared to the results of the sudden approximation and of coupled-state calculations. Good agreement between the Magnus results and the coupled-state calculations is obtained throughout if terms up to third order are retained in the commutator expansion of the exponent matrix associated with the time-evolution matrix.

  2. A pressure tuned stop-flow atomic layer deposition process for MoS2 on high porous nanostructure and fabrication of TiO2/MoS2 core/shell inverse opal structure

    Science.gov (United States)

    Li, Xianglin; Puttaswamy, Manjunath; Wang, Zhiwei; Kei Tan, Chiew; Grimsdale, Andrew C.; Kherani, Nazir P.; Tok, Alfred Iing Yoong

    2017-11-01

    MoS2 thin films are obtained by atomic layer deposition (ALD) in the temperature range of 120-150 °C using Mo(CO)6 and dimethyl disulfide (DMDS) as precursors. A pressure tuned stop-flow ALD process facilitates the precursor adsorption and enables the deposition of MoS2 on high porous three dimensional (3D) nanostructures. As a demonstration, a TiO2/MoS2 core/shell inverse opal (TiO2/MoS2-IO) structure has been fabricated through ALD of TiO2 and MoS2 on a self-assembled multilayer polystyrene (PS) structure template. Due to the self-limiting surface reaction mechanism of ALD and the utilization of pressure tuned stop-flow ALD processes, the as fabricated TiO2/MoS2-IO structure has a high uniformity, reflected by FESEM and FIB-SEM characterization. A crystallized TiO2/MoS2-IO structure can be obtained through a post annealing process. As a 3D photonic crystal, the TiO2/MoS2-IO exhibits obvious stopband reflecting peaks, which can be adjusted through changing the opal diameters as well as the thickness of MoS2 layer.

  3. Influence of binder system and temperature on rheological properties of water atomized 316L powder injection moulding feedstocks

    Directory of Open Access Journals (Sweden)

    Uğur GÖKMEN

    2016-02-01

    Full Text Available In order to obtain a proper powder injection molding the rheological behavior of feedstocks should be known. To determine the binder effect on the rheological behavior of 316L stainless steel powders feedstock two different feedstock were prepared. In the current experiments water atomized 316L stainless steel powders (-20 µm were used. Two types of binders, one of which is mainly paraffin wax can be dissolved in heptane and the other Polietilenglikol (PEG based and can be dissolved in water, were used. Polypropylene was used as binder and steric acid was used as lubricant for both binder systems as skeleton binder. Dry binder system were mixed for 30 min in a three dimensional Turbola. Capillary rheometer was used to characterize the rheological properties of feed stocks at 150-200 °C and a pressures of 0.165-2.069 MPa. Powder loading capacity of PEG and PW based feed stocks were found to be %55 and %61 respectively. The lowest viscosity of PEG and PW based feed stocks were found to be 304.707 Pa.s and 48.857 Pa.s respectively.Keywords: PIM, Binder, Rheological properties

  4. Inner-shell physics after fifty years of quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Merzbacher, E.

    1976-01-01

    A historical view is given of how the development of quantum mechanics has been affected by the information relating to inner shells, gathered by physicists since the early days of atomic physics, and of the impact of quantum mechanics on the physics of inner atomic shells. 25 refs. (GHT)

  5. ETUDE DE L'ACTION D'UNE ONDE ELECTROMAGNETIQUE POLARISEE CIRCULAIREMENT SUR UN ATOME A DEUX NIVEAUX PAR LE FORMALISME DES INTEGRALES DE CHEMINS

    Directory of Open Access Journals (Sweden)

    M AOUACHRIA

    2002-12-01

    Full Text Available L'action d'une onde électromagnétique polarisée circulairement sur un atome à deux niveaux est étudiée par le formalisme des intégrales de chemins. L'utilisation de l'espace des phases et de certaines rotations dans l'espace des états cohérents ont permis de simplifier énormément les calculs. Les fonctions d'onde correspondantes ont été retrouvées exactement.

  6. Nuclear Fuel Assay through analysis of Uranium L-shell by Hybrid L-edge/XRF Densitometer using a Surrogate Material

    Science.gov (United States)

    Park, Seunghoon; Joung, Sungyeop; Park, Jerry

    2018-01-01

    Assay of L-series of nuclear material solution is useful for determination of amount of nuclear materials and ratio of minor actinide in the materials. The hybrid system of energy dispersive X-ray absorption edge spectrometry, i.e. L-edge densitometry, and X-ray fluorescence spectrometry is one of the analysis methods. The hybrid L-edge/XRF densitometer can be a promising candidate for a portable and compact equipment due to advantage of using low energy X-ray beams without heavy shielding systems and liquid nitrogen cooling compared to hybrid K-edge/XRF densitometer. A prototype of the equipment was evaluated for feasibility ofthe nuclear material assay using a surrogate material (lead) to avoid radiation effects from nuclear materials. The uncertainty of L-edge and XRF characteristics of the sample material and volume effects was discussed in the article.

  7. Effect of five year storage on total phenolic content and antioxidant capacity of almond (Amygdalus communisL. hull and shell from different genotypes

    Directory of Open Access Journals (Sweden)

    Khadijeh Sadat Moosavi Dolatabadi

    2014-12-01

    Full Text Available Objectives: Almond (Prunus amygdalus hull and shell are agricultural by-products that are a source of phenolic compounds.The processing of almond produce shell and hull, accounts for more than 50% by dry weight of the almond fruits. Recently, more studies have focused on the influence of storage conditions and postharvest handling on the nutritional quality of fruits, especially the antioxidant phenolics. In this study, influence of long-term storage (five years on the total phenolic and antioxidant capacity of almond hull and shell from different genotypes was evaluated. Materials and Methods: The fruits of subjected genotypes were collected and their hull and shell were separated. They were dried and reduced to fine powder. This powder stored at room temperature for five years. The total phenolic content (TPC and bioactivities (antioxidant potential: DPPH and ABTS radical scavenging and reducing power of extracts were evaluated using spectrophotometric methods. Results: It was found that TPC content and bioactivity levels in the stored almond hull and shell were different, compared to the hulls and shells which were evaluated in 2007. S1-4 genotype had the highest TPC and reducing power in its hull and shell.Low correlation coefficient was observed between phenolic content and the DPPH radical scavenging percentage in hull and shell extract. Conclusions: For the first time, results of this investigation showed that storage can influence the antioxidant and antiradical potential of almond hull and shell.

  8. L. V. Keldysh’s “Ionization in the Field of a Strong Electromagnetic Wave” and modern physics of atomic interaction with a strong laser field

    Energy Technology Data Exchange (ETDEWEB)

    Fedorov, M. V., E-mail: fedorov@gmail.com [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation)

    2016-03-15

    Basic premises, approximations, and results of L.V. Keldysh’s 1964 work on multiphoton ionization of atoms are discussed, as well as its influence on the modern science of the interaction of atomic–molecular systems with a strong laser field.

  9. D, L-Sulforaphane Loaded Fe3O4@ Gold Core Shell Nanoparticles: A Potential Sulforaphane Delivery System.

    Science.gov (United States)

    Kheiri Manjili, Hamidreza; Ma'mani, Leila; Tavaddod, Sharareh; Mashhadikhan, Maedeh; Shafiee, Abbas; Naderi-Manesh, Hossein

    2016-01-01

    A novel design of gold-coated iron oxide nanoparticles was fabricated as a potential delivery system to improve the efficiency and stability of d, l-sulforaphane as an anticancer drug. To this purpose, the surface of gold-coated iron oxide nanoparticles was modified for sulforaphane delivery via furnishing its surface with thiolated polyethylene glycol-folic acid and thiolated polyethylene glycol-FITC. The synthesized nanoparticles were characterized by different techniques such as FTIR, energy dispersive X-ray spectroscopy, UV-visible spectroscopy, scanning and transmission electron microscopy. The average diameters of the synthesized nanoparticles before and after sulforaphane loading were obtained ∼ 33 nm and ∼ 38 nm, respectively, when ∼ 2.8 mmol/g of sulforaphane was loaded. The result of cell viability assay which was confirmed by apoptosis assay on the human breast cancer cells (MCF-7 line) as a model of in vitro-cancerous cells, proved that the bare nanoparticles showed little inherent cytotoxicity, whereas the sulforaphane-loaded nanoparticles were cytotoxic. The expression rate of the anti-apoptotic genes (bcl-2 and bcl-xL), and the pro-apoptotic genes (bax and bak) were quantified, and it was found that the expression rate of bcl-2 and bcl-xL genes significantly were decreased when MCF-7 cells were incubated by sulforaphane-loaded nanoparticles. The sulforaphane-loaded into the designed gold-coated iron oxide nanoparticles, acceptably induced apoptosis in MCF-7 cells.

  10. D, L-Sulforaphane Loaded Fe3O4@ Gold Core Shell Nanoparticles: A Potential Sulforaphane Delivery System.

    Directory of Open Access Journals (Sweden)

    Hamidreza Kheiri Manjili

    Full Text Available A novel design of gold-coated iron oxide nanoparticles was fabricated as a potential delivery system to improve the efficiency and stability of d, l-sulforaphane as an anticancer drug. To this purpose, the surface of gold-coated iron oxide nanoparticles was modified for sulforaphane delivery via furnishing its surface with thiolated polyethylene glycol-folic acid and thiolated polyethylene glycol-FITC. The synthesized nanoparticles were characterized by different techniques such as FTIR, energy dispersive X-ray spectroscopy, UV-visible spectroscopy, scanning and transmission electron microscopy. The average diameters of the synthesized nanoparticles before and after sulforaphane loading were obtained ∼ 33 nm and ∼ 38 nm, respectively, when ∼ 2.8 mmol/g of sulforaphane was loaded. The result of cell viability assay which was confirmed by apoptosis assay on the human breast cancer cells (MCF-7 line as a model of in vitro-cancerous cells, proved that the bare nanoparticles showed little inherent cytotoxicity, whereas the sulforaphane-loaded nanoparticles were cytotoxic. The expression rate of the anti-apoptotic genes (bcl-2 and bcl-xL, and the pro-apoptotic genes (bax and bak were quantified, and it was found that the expression rate of bcl-2 and bcl-xL genes significantly were decreased when MCF-7 cells were incubated by sulforaphane-loaded nanoparticles. The sulforaphane-loaded into the designed gold-coated iron oxide nanoparticles, acceptably induced apoptosis in MCF-7 cells.

  11. (shell) nanoparticles

    Indian Academy of Sciences (India)

    equations for the scattering of electromagnetic radiation by particles with spherical or cylindrical symmetry. Aden and Kerker have published complete details of scattering from concentric spherical shells in 1951 [28]. In Mie theory, the harmonically oscillating electromagnetic fields are expressed in terms of a set of spherical ...

  12. Evaluation of Structure and Assembly of Xyloglucan from Tamarind Seed (Tamarindus indica L.) with Atomic Force Microscopy.

    Science.gov (United States)

    Kozioł, Arkadiusz; Cybulska, Justyna; Pieczywek, Piotr M; Zdunek, Artur

    The role of xyloglucan (XG) in the cell wall of plants and its technological usability depends on several factors, pertaining to molecular structure. Therefore, the goal of this study was to evaluate the nano-structure and self-assembly of XG by atomic force microscopy (AFM). As the model, a non-modified xyloglucan from a tamarind seed (Tamarindus indica L.) was used. Samples were minimally processed, i.e., treated with low-power ultrasound and studied on the surface of mica in ambient butanol. AFM topographic images revealed rod-like nanomolecules of xyloglucan with a mean height of 2.3 ± 0.5 nm and mean length of 640 ± 360 nm. The AFM study also showed that XG chains possessed a helical structure with a period of 115.8 ± 29.2 nm. This study showed possible-bending of molecules with a mean angle of 127.8 ± 25.6°. The xyloglucan molecules were able to aggregate as cross-like and a parallel like assemblies, and possibly as rope-like structures. The self-assembled bundles of xyloglucan chains were often complexed at an angle of 114.2 ± 36.3°.

  13. A new approach to mineralization of flaxseed (Linum usitatissimum L.) for trace element analysis by flame atomic absorption spectrometry.

    Science.gov (United States)

    Oliveira, João P S; Silva, Francisco L F; Monte, Raimundo J G; Matos, Wladiana O; Lopes, Gisele S

    2017-06-01

    A new approach to the analysis of Cu, Fe, Mn and Zn in flaxseed was developed based on infrared-assisted acid digestion. Quantitation by flame atomic absorption spectrometry yields results in agreement with those arising from aggressive total decomposition using conventional microwave-assisted (MW) digestions. A full factorial design in two levels was applied to evaluate the impact of significant variables for all elements to determine optimal experimental conditions. A desirability function revealed these to be: 2.0g sample mass, 8mL of HNO3 and 8min of heating time in the IR system. Precision better than 10% (RSD) was obtained, superior to that of a combined IR-MW approach. Sample preparation based on IR-assisted digestion provides a rapid and inexpensive alternative to other conventional techniques for the analysis of complex samples and is able to accommodate relatively large masses of sample, alleviating potential homogeneity issues as well as enhancing detection power. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Nuclear Fuel Assay through analysis of Uranium L-shell by Hybrid L-edge/XRF Densitometer using a Surrogate Material

    Directory of Open Access Journals (Sweden)

    Park Seunghoon

    2018-01-01

    A prototype of the equipment was evaluated for feasibility ofthe nuclear material assay using a surrogate material (lead to avoid radiation effects from nuclear materials. The uncertainty of L-edge and XRF characteristics of the sample material and volume effects was discussed in the article.

  15. Synthesis of core-shell single-layer MoS2 sheathing gold nanoparticles, AuNP@1L-MoS2

    Science.gov (United States)

    Lavie, Anna; Yadgarov, Lena; Houben, Lothar; Popovitz-Biro, Ronit; Shaul, Tal-El; Nagler, Achiya; Suchowski, Haim; Tenne, Reshef

    2017-06-01

    Nanoparticles, and more specifically gold nanoparticles (AuNPs), have attracted much scientific and technological interest in the last few decades. Their popularity is attributed to their unique optical, catalytic, electrical and magnetic properties when compared with the bulk. However, one of the main problems with AuNPs is their long-term stability. Two-dimensional materials like MoS2 (WS2) are semiconductors that exhibit a combination of properties which make them suitable for electronic, optical and (photo)catalytic devices. Few-layer MoS2 (WS2) nanoparticles (NPs), and in particular single-layer ones, show intriguing optical and electrical properties which are very different from those of the bulk compounds. Here we demonstrate the synthesis of AuNPs sheathed by a single layer of MoS2 (WS2), i.e. a core-shell nanostructure (AuNP@1L-MoS2). The hybrid NPs exhibit optical properties that are different from those of either constituent and are amenable for modulation via their chemistry, offering a myriad of applications.

  16. Shell worlds

    Science.gov (United States)

    Roy, Kenneth I.; Kennedy, Robert G., III; Fields, David E.

    2013-02-01

    The traditional concept of terraforming assumes ready availability of candidate planets with acceptable qualities: orbiting a star in its "Goldilocks zone", liquid water, enough mass, years longer than days, magnetic field, etc. But even stipulating affordable interstellar travel, we still might never find a good candidate elsewhere. Whatever we found likely would require centuries of heavy terraforming, just as Mars or Venus would here. Our increasing appreciation of the ubiquity of life suggests that any terra nova would already possess it. We would then face the dilemma of introducing alien life forms (us, our microbes) into another living world. Instead, we propose a novel method to create habitable environments for humanity by enclosing airless, sterile, otherwise useless planets, moons, and even large asteroids within engineered shells, which avoids the conundrum. These shells are subject to two opposing internal stresses: compression due to the primary's gravity, and tension from atmospheric pressure contained inside. By careful design, these two cancel each other resulting in zero net shell stress. Beneath the shell an Earth-like environment could be created similar in almost all respects to that of Home, except for gravity, regardless of the distance to the sun or other star. Englobing a small planet, moon, or even a dwarf planet like Ceres, would require astronomical amounts of material (quadrillions of tons) and energy, plus a great deal of time. It would be a quantum leap in difficulty over building Dyson Dots or industrializing our solar system, perhaps comparable to a mission across interstellar space with a living crew within their lifetime. But when accomplished, these constructs would be complete (albeit small) worlds, not merely large habitats. They could be stable across historic timescales, possibly geologic. Each would contain a full, self-sustaining ecology, which might evolve in curious directions over time. This has interesting implications

  17. Grazing incidence collisions of ions and atoms with surfaces: from charge exchange to atomic diffraction; Collisions rasantes d'ions ou d'atomes sur les surfaces: de l'echange de charge a la diffraction atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, P

    2006-09-15

    This thesis reports two studies about the interaction with insulating surfaces of keV ions or atoms under grazing incidence. The first part presents a study of charge exchange processes occurring during the interaction of singly charged ions with the surface of NaCl. In particular, by measuring the scattered charge fraction and the energy loss in coincidence with electron emission, the neutralization mechanism is determined for S{sup +}, C{sup +}, Xe{sup +}, H{sup +}, O{sup +}, Kr{sup +}, N{sup +}, Ar{sup +}, F{sup +}, Ne{sup +} and He{sup +}. These results show the importance of the double electron capture as neutralization process for ions having too much potential energy for resonant capture and not enough for Auger neutralization. We have also studied the ionisation of the projectile and of the surface, and the different Auger-like neutralization processes resulting in electron emission, population of conduction band or excited state. For oxygen scattering, we have measured an higher electron yield in coincidence with scattered negative ion than with scattered atom suggesting the transient formation above the surface of the oxygen doubly negative ion. The second study deals with the fast atom diffraction, a new phenomenon observed for the first time during this work. Due to the large parallel velocity, the surface appears as a corrugated wall where rows interfere. Similarly to the Thermal Atom Scattering the diffraction pattern corresponds to the surface potential and is sensitive to vibrations. We have study the H-NaCl and He-LiF atom-surface potentials in the 20 meV - 1 eV range. This new method offers interesting perspectives for surface characterisation. (author)

  18. The Hanbury Brown ant Twiss effect for cold atoms; L'effet Hanbury Brown et Twiss pour les atomes froids

    Energy Technology Data Exchange (ETDEWEB)

    Schellekens, M

    2007-05-15

    This thesis deals with the measurement of the quantum intensity correlations in gases of metastable Helium. The measurement has been performed on thermal gases of bosonic He{sup 4} and fermionic He{sup 3}, as well as on Bose-Einstein condensates. In 1956, Robert Hanbury Brown et Richard Twiss measured the correlation between photons emitted from a single thermal source. The consequently demonstrated that the photons emitted by such a source tend to arrive grouped on a detector (Hanbury Brown and Twiss effect). This bunching characterizes bosons from a non-coherent source. Fermions show an anti-bunching behaviour in the same conditions. By using metastable Helium atoms, that can be detected individually through the use of micro-channel plates, we have been able to show a similar bunching of bosons He{sup 4} from thermal sources around the micro-kelvin. As expected, the coherence of the Bose-Einstein condensates did not produce a particular correlation. The measurement on thermal gases of fermionic He{sup 3} has demonstrated the anti-bunching. Particular effort has been employed in describing the micro-channel plate based delay-line detector, the key to the experiment. (author)

  19. Effect of peanut shell and wheat straw biochar on the availability of Cd and Pb in a soil-rice (Oryza sativa L.) system.

    Science.gov (United States)

    Xu, Chao; Chen, Hao-Xiang; Xiang, Qian; Zhu, Han-Hua; Wang, Shuai; Zhu, Qi-Hong; Huang, Dao-You; Zhang, Yang-Zhu

    2018-01-01

    Soil amendments, such as biochar, have been used to enhance the immobilization of heavy metals in contaminated soil. A pot experiment was conducted to immobilize the available cadmium (Cd) and lead (Pb) in soil using peanut shell biochar (PBC) and wheat straw biochar (WBC), and to observe the accumulation of these heavy metals in rice (Oryza sativa L.). The application of PBC and WBC led to significantly higher pH, soil organic carbon (SOC), and cation exchange capacity (CEC) in paddy soil, while the content of MgCl2-extractable Cd and Pb was lower than that of untreated soil. MgCl2-extractable Cd and Pb showed significant negative correlations with pH, SOC, and CEC (p biochar to contaminated paddy soil led to reductions of 40.4-45.7 and 68.6-79.0%, respectively, in the content of MgCl2-extractable Cd and Pb. PBC more effectively immobilized Cd and Pb than WBC. Sequential chemical extractions revealed that biochar induced the transformation of the acid-soluble fraction of Cd to oxidizable and residual fractions, and the acid-soluble fraction of Pb to reducible and residual fractions. PBC and WBC clearly inhibited the uptake and accumulation of Cd and Pb in rice plants. Specially, when compared to the corresponding concentrations in rice grown in control soils, 5% PBC addition lowered Cd and Pb concentrations in grains by 22.9 and 12.2%, respectively, while WBC addition lowered them by 29.1 and 15.0%, respectively. Compared to Pb content, Cd content was reduced to a greater extent in grain by PBC and WBC. These results suggest that biochar application is effective for immobilizing Cd and Pb in contaminated paddy soil, and reduces their bioavailability in rice. Biochar could be used as a soil amendment for the remediation of soils contaminated with heavy metals.

  20. Observation of double resonant laser induced transitions in the $v = n - l - 1 = 2$ metastable cascade of antiprotonic helium-4 atoms

    CERN Document Server

    Hayano, R S; Tamura, H; Torii, H A; Hori, Masaki; Maas, F E; Morita, N; Kumakura, M; Sugai, I; Hartmann, F J; Daniel, H; Von Egidy, T; Ketzer, B; Pohl, R; Horváth, D; Eades, John; Widmann, E; Yamazaki, T

    1997-01-01

    A new laser-induced resonant transition in the $v=n-l-1=2$ metastable cascade of antiprotonic $^4$He atoms has been found by using a double resonance technique. This was done by setting the first laser to the already known 470.724 nm resonance ($(n,l)=(37,34)\\rightarrow (36,33)$), while the $(38,35)\\rightarrow (37,34)$ transition was searched for with the second laser. The resonant transition was found at wavelength of 529.622$\\pm$0.003 nm, showing excellent agreement with a recent prediction of Korobov.

  1. Spatio-temporal structure of Alfvén waves excited by a sudden impulse localized on an L-shell

    Directory of Open Access Journals (Sweden)

    D. Yu. Klimushkin

    2012-07-01

    Full Text Available This paper is concerned with the spatial structure and temporal evolution of the azimuthally small scale Alfvén wave generated by a sudden impulse concentrated on a given magnetic shell. At the outset, both poloidal and toroidal components are present in the wave's magnetic field. The oscillation in the poloidal component on a given magnetic shell is a superposition of two monochromatic oscillations, one with the local resonance frequency on this shell, and the other with the frequency corresponding to the resonance frequency on the source surface. The superposition of these two oscillations leads to beating. Due to phase mixing, the poloidal component of the oscillation decreases with time down to zero, transferring its energy to the toroidal component. Beating in the toroidal component is less pronounced. As time elapses, energy concentration near the source magnetic shell occurs with the frequency of the oscillation corresponding to the Alfvénic resonance frequency on this surface. Outside this thin region wave amplitudes become rather small at oscillation frequencies corresponding to the local resonance frequency of the respective magnetic shell.

  2. Cholestéatome de l'oreille moyenne - étude rétrospective à propos de 145 cas

    Science.gov (United States)

    Bouaity, Brahim; Chihani, Mehdi; Nadour, Karim; Moujahid, Mountassir; Touati, Mliha; Darouassi, Youssef; Ammar, Haddou

    2014-01-01

    L'otite moyenne chronique cholestéatomateuse représente une entité fréquente et dangereuse en chirurgie otologique, mettant en jeu le pronostic fonctionnel auditif et exposant à des complications redoutables justifiant pleinement le recours exclusif à un traitement chirurgical et à un suivi post-opératoire rigoureux. Dans le but de mettre le point sur les caractéristiques épidémiologiques, cliniques, thérapeutiques et évolutives de cette pathologie, nous avons mené une étude rétrospective, étalée sur 11 ans et portant sur 145 cas de cholestéatome de l'oreille moyenne opérés au sein du service d'oto-rhino-laryngologie et chirurgie cervico-faciale de l'hôpital militaire Avicenne de Marrakech. PMID:25120876

  3. O-Alkylated heavy atom carbohydrate probes for protein X-ray crystallography: Studies towards the synthesis of methyl 2-O-methyl-L-selenofucopyranoside

    Directory of Open Access Journals (Sweden)

    Roman Sommer

    2016-12-01

    Full Text Available Selenoglycosides are used as reactive glycosyl donors in the syntheses of oligosaccharides. In addition, such heavy atom analogs of natural glycosides are useful tools for structure determination of their lectin receptors using X-ray crystallography. Some lectins, e.g., members of the tectonin family, only bind to carbohydrate epitopes with O-alkylated ring hydroxy groups. In this context, we report the first synthesis of an O-methylated selenoglycoside, specifically methyl 2-O-methyl-L-selenofucopyranoside, a ligand of the lectin tectonin-2 from the mushroom Laccaria bicolor. The synthetic route required a strategic revision and further optimization due to the intrinsic lability of alkyl selenoglycosides, in particular for the labile fucose. Here, we describe a successful synthetic access to methyl 2-O-methyl-L-selenofucopyranoside in 9 linear steps and 26% overall yield starting from allyl L-fucopyranoside.

  4. Teaching Valence Shell Electron Pair Repulsion (VSEPR) Theory

    Science.gov (United States)

    Talbot, Christopher; Neo, Choo Tong

    2013-01-01

    This "Science Note" looks at the way that the shapes of simple molecules can be explained in terms of the number of electron pairs in the valence shell of the central atom. This theory is formally known as valence shell electron pair repulsion (VSEPR) theory. The article explains the preferred shape of chlorine trifluoride (ClF3),…

  5. Fullerenes in Aromatic Solvents: Correlation between Solvation-Shell Structure, Solvate Formation, and Solubility.

    Science.gov (United States)

    Peerless, James S; Bowers, G Hunter; Kwansa, Albert L; Yingling, Yaroslava G

    2015-12-10

    In this work, an all-atom molecular dynamics simulation technique was employed to gain insight into the dynamic structure of the solvation shell formed around C60 and phenyl-C61-butyric acid methyl ester (PCBM) in nine aromatic solvents. A new method was developed to visualize and quantify the distribution of solvent molecule orientations in the solvation shell. A strong positive correlation was found between the regularity of solvent molecule orientations in the solvation shell and the experimentally obtained solubility limits for both C60 and PCBM. This correlation was extended to predict a solubility of 36 g/L for PCBM in 1,2,4-trimethylbenze. The relationship between solvation-shell structure and solubility provided detailed insight into solvate formation of C60 and solvation in relation to solvent molecular structure and properties. The determined dependence of the solvation-shell structure on the geometric shape of the solvent might allow for enhanced control of fullerene solution-phase behavior during processing by chemically tailoring the solvent molecular structure, potentially diminishing the need for costly and environmentally harmful halogenated solvents and/or additives.

  6. CROSS-SECTIONS FOR L-SELECTIVE ELECTRON-CAPTURE INTO THE HE+(N = 4) SHELL IN INTERMEDIATE ENERGY COLLISIONS OF HE2+ WITH H AND H2

    NARCIS (Netherlands)

    FRIELING, GJ; HOEKSTRA, R; SMULDERS, E; DICKSON, WJ; ZINOVIEV, AN; KUPPENS, SJ; DEHEER, FJ

    1992-01-01

    This paper shows the extensions of our previous work on absolute cross sections for electron capture into He+(4l) states, produced in collisions of He2+ with atomic and molecular hydrogen, to higher impact energies (27-132 keV amu-1) than used before (2-13 keV amu-1). The cross sections have been

  7. L-Tyrosine immobilized on multiwalled carbon nanotubes: A new substrate for thallium separation and speciation using stabilized temperature platform furnace-electrothermal atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Pacheco, Pablo H.; Gil, Raul A. [Departamento de Quimica Analitica, Facultad de Quimica, Bioquimica y Farmacia, Universidad Nacional de San Luis, Chacabuco y Pedernera, P.O. Box 375, 5700 San Luis (Argentina); Instituto de Quimica de San Luis (INQUISAL-CONICET), Chacabuco y Pedernera, CP 5700, San Luis (Argentina); Smichowski, Patricia, E-mail: smichows@cnea.gov.ar [Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Rivadavia 1917, CP C1033 AAJ, Ciudad de Buenos Aires (Argentina); Comision Nacional de Energia Atomica, Gerencia Quimica, Av. Gral. Paz 1499, B1650KNA San Martin (Argentina); Polla, Griselda [Comision Nacional de Energia Atomica, Gerencia de Investigacion y Aplicaciones, Av.Gral. Paz 1499, B1650KNA San Martin (Argentina); Martinez, Luis D., E-mail: ldm@unsl.edu.ar [Departamento de Quimica Analitica, Facultad de Quimica, Bioquimica y Farmacia, Universidad Nacional de San Luis, Chacabuco y Pedernera, P.O. Box 375, 5700 San Luis (Argentina); Instituto de Quimica de San Luis (INQUISAL-CONICET), Chacabuco y Pedernera, CP 5700, San Luis (Argentina)

    2009-12-10

    An approach for the separation and determination of inorganic thallium species is described. A new sorbent, L-tyrosine-carbon nanotubes (L-tyr-CNTs), was used and applied to the analysis of tap water samples. At pH 5.0, L-tyr was selective only towards Tl(III), while total thallium was determined directly by stabilized temperature platform furnace-electrothermal atomic absorption spectrometry (STPF-ETAAS). The Tl(III) specie, which was retained by L-tyrosine, was quantitatively eluted from the column with 10% of nitric acid. An on-line breakthrough curve was used to determine the column capacity, which resulted to be 9.00 {mu}mol of Tl(III) g{sup -1} of L-tyr-CNTs with a molar ratio of 0.14 (moles of Tl bound to moles of L-tyr at pH 5). Transient peak areas revealed that Tl stripping from the column occurred instantaneously. Effects of sample flow rate, concentration and flow rate of the eluent, and interfering ions on the recovery of the analyte were systematically investigated. The detection limit for the determination of total thallium (3{sigma}) by STPF-ETAAS was 150 ng L{sup -1}. The detection limit (3{sigma}) for Tl(III) employing the separation system was 3 ng L{sup -1}, with an enrichment factor of 40. The precision of the method expressed as the relative standard deviation (RSD) resulted to be 3.4%. The proposed method was applied to the speciation and determination of inorganic thallium in tap water samples. The found concentrations were in the range of 0.88-0.91 {mu}g L{sup -1} of Tl(III), and 3.69-3.91 {mu}g L{sup -1} of total thallium.

  8. Multipolarity effects in ionization of the inner level of an atom by an electron impact in extended fine structures of K and L spectra of electron energy losses

    Energy Technology Data Exchange (ETDEWEB)

    Grebennikov, V.I. [Institute of Metal Physics, UB RAS, 620066 Ekaterinburg (Russian Federation); Guy, D.E. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation)]. E-mail: lasas@fti.udm.ru; Ruts, Y.V. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation); Surnin, D.V. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation); Zheltysheva, O.R. [Physical-Technical Institute, Kirov st. 132, UB RAS, 426000 Izhevsk (Russian Federation)

    2005-05-01

    The problem of multipolarity of the atom core level ionization by electron impact in extended energy loss fine structure (EELFS) spectroscopy is studied. The intensities and amplitudes of electron transitions have been calculated in the OPW approximation. The experimental K EELFS spectra of Al, Si and L EELFS spectra of Fe, Co have been obtained. Corresponding calculations have been carried out in the monopole and dipole approximations. A comparison of theoretical and experimental spectra have been made. It is shown that a good agreement between the theoretical and experimental results points to the need for taking account of multipolarity of the electron transition processes in EELFS calculations.

  9. Shell Masers

    OpenAIRE

    Elitzur, Moshe; Bujarrabal, V.

    1995-01-01

    Comment: 8 pages Latex file. Paper is unchanged. The name of the style file was corrected from L-AA to l-aa to enable generation of the PS file. A postscript file of the paper printed in journal format including figure can be obtained by anonymous ftp to asta.pa.uky.edu (cd moshe), accessible also from WWW via http://www.pa.uky.edu/ . To be published in Astronomy and Astrophysics

  10. Report realized on the behalf of the Foreign Affairs Commission on the law project, adopted by the Senate, authorizing the added protocol ratification to the agreement between France, the European Atomic Energy Community and the International Atomic Energy Agency relative to the guaranties application in France; Rapport fait au nom de la Commission des Affaires Etrangeres sur le projet de Loi, adopte par le Senat, autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en France

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-02-01

    This document presents the analyse of the law project, adopted by the Senate, authorizing the added protocol ratification to the agreement between France, the Atomic Energy European Community and the International Atomic Energy Agency relative to the guaranties application in France. It deals with the nuclear proliferation fight in France and the the program of enhancement of guaranties in the framework of the IAEA. (A.L.B.)

  11. Chemistry with bigger, better atoms

    Indian Academy of Sciences (India)

    DELL

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

  12. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

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

  13. Large-scale mitochondrial COI gene sequence variability reflects the complex colonization history of the invasive soft-shell clam, Mya arenaria (L.) (Bivalvia)

    Science.gov (United States)

    Lasota, Rafal; Pierscieniak, Karolina; Garcia, Pascale; Simon-Bouhet, Benoit; Wolowicz, Maciej

    2016-11-01

    The aim of the study was to determine genetic diversity in the soft-shell clam Mya arenaria on a wide geographical scale using mtDNA COI gene sequences. Low levels of genetic diversity was found, which can most likely be explained by a bottleneck effect during Pleistocene glaciations and/or selection. The geographical genetic structuring of the studied populations was also very low. The star-like phylogeny of the haplotypes indicates a relatively recent, rapid population expansion following the glaciation period and repeated expansion following the founder effect(s) after the initial introduction of the soft-shell clam to Europe. North American populations are characterized by the largest number of haplotypes, including rare ones, as expected for native populations. Because of the founder effect connected with initial and repeated expansion events, European populations have significantly lower numbers of haplotypes in comparison with those of North America. We also observed subtle differentiations among populations from the North and Baltic seas. The recently founded soft-shell clam population in the Black Sea exhibited the highest genetic similarity to Baltic populations, which confirmed the hypothesis that M. arenaria was introduced to the Gulf of Odessa from the Baltic Sea. The most enigmatic results were obtained for populations from the White Sea, which were characterized by high genetic affinity with American populations.

  14. From Atoms to Solids

    Science.gov (United States)

    1999-01-31

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

  15. Reexamination of $L_{3}$ and $M_{1}$ atomic-level widths of elements 54 $\\le$ Z $\\le$ 77

    CERN Document Server

    Mauron, O; Baechler, S; Berset, M; Maillard, Y P; Raboud, P A; Hoszowska, J

    2003-01-01

    High-resolution measurements of the photoinduced L/sub 3/-M/sub 1/ and L/sub 3/-M/sub 4,5/ X-ray emission lines were performed with a reflection-type bent-crystal spectrometer for a variety of elements ranging from xenon (Z=54) to iridium (Z=77). The measurements were performed at the European Synchrotron Radiation Facility in Grenoble, France. From the observed linewidths of the L/sub 3/-M/sub 1/ x-ray transitions, the widths of the M/sub 1/ levels were determined using the L/sub 3/ level widths extracted from the measured L/sub 3/-M/sub 5/ transitions, and assuming for the M/sub 5/ levels the widths reported recently by Campbell and Papp ÝAt. Data Nucl. Data Tables 77, 1 (2001)¿. In the rare-earth region a Z-dependent broadening of the M/sub 1/ level was observed. (51 refs).

  16. Shell ontogeny in radiolarians

    Digital Repository Service at National Institute of Oceanography (India)

    Anderson, O.R.; Gupta, S.M.

    The ontogeny of the shells in modern and ancient radiolarian species, Acrosphaera cyrtodon were observed by scanning and transmission electron microscopy. The shells of A. cyrtodon were obtained from core samples collected from the Central Indian...

  17. Shell concrete pavement.

    Science.gov (United States)

    1966-10-01

    This report describes the testing performed with reef shell, clam shell and a combination of reef and clam shell used as coarse aggregate to determine if a low modulus concrete could be developed for use as a base material as an alternate to the pres...

  18. 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)

  19. Application of l-cystine modified zeolite for preconcentration and determination of ultra-trace levels of cadmium by flame atomic absorption spectrometry.

    Science.gov (United States)

    Rezvani, Seyyed Ahmad; Soleymanpour, Ahmad

    2016-03-04

    A very convenient, sensitive and precise solid phase extraction (SPE) system was developed for enrichment and determination of ultra-trace of cadmium ion in water and plant samples. This method was based on the retention of cadmium(II) ions by l-cystine adsorbed in Y-zeolite and carry out in a packed mini-column. The retained cadmium ions then were eluted and determined by flame atomic absorption spectrometry. The scanning electron microscopy (SEM), powder X-ray diffraction (XRD) and Fourier Transform Infrared (FT-IR) spectroscopy techniques were applied for the characterization of cystine modified zeolite (CMZ). Some experimental conditions affecting the analytical performance such as pH, eluent type, concentration of sample, eluent flow rate and also the presence of interfering ions were investigated. The calibration graph was linear within the range of 0.1-7.5ngmL(-1) and limit of detection was obtained 0.04ngmL(-1) with the preconcentration factor of 400. The relative standard deviation (RSD) was obtained 1.4%, indicating the excellent reproducibility of this method. The proposed method was successfully applied for the extraction and determination of cadmium(II) ion in black tea, cigarette's tobacco and also various water samples. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Speciation of inorganic- and methyl-mercury in biological matrixes by electrochemical vapor generation from an L-cysteine modified graphite electrode with atomic fluorescence spectrometry detection.

    Science.gov (United States)

    Zhang, Wang-Bing; Yang, Xin-An; Dong, Yong-Ping; Xue, Jing-Jing

    2012-11-06

    A novel nonchromatographic speciation technique for ultratrace inorganic mercury (Hg(2+)) and methylmercury (CH(3)Hg(+)) in biological materials is developed and validated by electrolytic vapor generation (EVG) coupled with atomic fluorescence spectrometry (AFS). The studies show that CH(3)Hg(+) and Hg(2+) can be converted to Hg vapor efficiently on an l-cysteine modified graphite cathode, which has never been reported before. We observe that only Hg(2+) can be converted efficiently to Hg vapor at low current mode (0.2 A). While at high current mode (2.2 A), both CH(3)Hg(+) and Hg(2+) can be reduced efficiently. As a result, we successfully establish an exact and sensitive method based on the current control to detect mercury speciation for the first time. The factors of electrolytic conditions have been optimized, and the potential mechanism is discussed. Under the optimal conditions, the detection limits (3s) of Hg(2+) and CH(3)Hg(+) in aqueous solutions are 0.098 and 0.073 μg L(-1), respectively. The relative standard deviations for 6 replicate determinations of 2 μg L(-1) Hg are determined as 3.2% and 4.7% for Hg(2+) and CH(3)Hg(+). The accuracy of the method is verified through the analysis of certified reference materials (CRM, NRC-DORM-2), and the proposed method has been applied satisfactorily to the determination of mercury speciation in several seafood samples by calibration curve mode.

  1. Laser-modified electron scattering from a slowly ionising atom

    Science.gov (United States)

    Fiordilino, E.; Mittleman, M. H.

    1983-01-01

    When an electron scatters from an atom in the presence of a laser field which is resonant with an atomic transition, off-shell effects enter into the cross section. These only become significant at higher laser intensities where the atom may also be ionised by the laser. Cross-sections are obtained for electron-atom scattering in which these off-shell effects appear and in which the slow ionisation of the atom by the laser is included. Experiments are suggested in which simplifications can occur and which still retain these 'exotic' effects.

  2. An efficient, selective collisional ejection mechanism for inner-shell population inversion in laser-driven plasmas

    Energy Technology Data Exchange (ETDEWEB)

    SCHROEDER,W. ANDREAS; NELSON,THOMAS R.; BORISOV,A.B.; LONGWORTH,J.W.; BOYER,K.; RHODES,C.K.

    2000-06-07

    A theoretical analysis of laser-driven collisional ejection of inner-shell electrons is presented to explain the previously observed anomalous kilovolt L-shell x-ray emission spectra from atomic Xe cluster targets excited by intense sub-picosecond 248nrn ultraviolet radiation. For incident ponderomotively-driven electrons photoionized by strong above threshold ionization, the collisional ejection mechanism is shown to be highly l-state and significantly n-state (i.e. radially) selective for time periods shorter than the collisional dephasing time of the photoionized electronic wavefunction. The resulting preference for the collisional ejection of 2p electrons by an ionized 4p state produces the measured anomalous Xe(L) emission which contains direct evidence for (i) the generation of Xe{sup 27+}(2p{sup 5}3d{sup 10}) and Xe{sup 28+}(2p{sup 5}3d{sup 9}) ions exhibiting inner-shell population inversion and (ii) a coherent correlated electron state collision responsible for the production of double 2p vacancies. For longer time periods, the selectivity of this coherent impact ionization mechanism is rapidly reduced by the combined effects of intrinsic quantum mechanical spreading and dephasing--in agreement with the experimentally observed and extremely strong {minus}{lambda}{sup {minus}6} pump-laser wavelength dependence of the efficiency of inner-shell (2p) vacancy production in Xe clusters excited in underdense plasmas.

  3. Læren fra Shell

    DEFF Research Database (Denmark)

    Ørding Olsen, Anders

    2017-01-01

    Hvad kan afsløringerne om Shells mere end 25 år gamle viden om klimaforandringer lære virksomheder om disruption og strategi? Først og fremmest at undgå at se disruption som en mulig trussel, men i stedet som en fremtidig realitet og chance for vækst......Hvad kan afsløringerne om Shells mere end 25 år gamle viden om klimaforandringer lære virksomheder om disruption og strategi? Først og fremmest at undgå at se disruption som en mulig trussel, men i stedet som en fremtidig realitet og chance for vækst...

  4. Penetapan Kadar Kalium, Kalsium dan Natrium dalam Umbi Lobak (Raphanus sativus L.)Dengan Metode Spektrofotometri Serapan Atom

    OpenAIRE

    Septiana, Falda

    2016-01-01

    Radish (Raphanus sativus L.) is a member of the cabbage family are planted in various areas, in which all parts of the plant radish can be used for various purposes in human life. Radish tubers can be eaten raw as fresh vegetables, made pickles or pickled, boiled and be cooked. The young leaves can be used raw or cooked vegetables. Besides tuber radish also has many benefits as a traditional medicine, contains a variety of nutrients that are beneficial to the body in the form of minerals that...

  5. Penetapan Kadar Mineral Magnesium, Besi, dan Tembaga pada Lobak Putih (Raphanus sativus L.) secara Spektrofotometri Serapan Atom

    OpenAIRE

    Lauren, Jansen Benedict

    2016-01-01

    Radish (Raphanus sativus L.) is a member of the cabbage family are planted in various areas, in which all parts of the plant radish can be used for various purposes in human life. Radish tubers can be eaten raw as fresh vegetables, made pickles or pickled, boiled, and be cooked. Some nutrient can be decreased during the cooking process, including mineral. Radish tuber contain some minerals there are calcium, iron, sodium, magnesium, and copper. The purpose of this study was to determine the r...

  6. Poly(D,L-lactide-co-glycolide)/hydroxyapatite core-shell nanospheres. Part 4: a change of the surface properties during degradation process and the corresponding in vitro cellular response.

    Science.gov (United States)

    Vukomanović, M; Sarčev, I; Petronijević, B; Skapin, S D; Ignjatović, N; Uskoković, D

    2012-03-01

    The surface properties of PLGA/HAp core-shell nanoparticles loaded with clindamycin obtained by an ultrasonic processing method and their changes under the simulated physiological conditions during the degradation process (when the morphology is changed starting from the nanospheres, over micrometer-sized plate-like films to a porous network) were investigated. The dynamic change of the surface properties of this material obtained in a water environment showed an increase of the surface area (up to 70 m(2)/g) and an improved wettability (estimated water contact angle was in the range between 40° and 60°) suggesting the possibility for its good interaction with cells. The in vitro tests are in a good correlation with this hypothesis, showing a high level of cytocompatibility of the material with the mouse L929 and human lung MRC-5 fibroblasts. The fibroblasts were able to achieve the contact with the material's surface and to attach onto it. The significance of HAp, as the bioceramic phase within the PLGA/HAp core-shell nanoparticles, may be brought into relationship with its role in improving the surface properties of PLGA/HAp obtained during the degradation process. These properties are closely related to the bioactivity and biocompatibility of this material, which are highly relevant for its biomedical application. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Waltzing route toward double-helix formation in cholesteric shells

    Science.gov (United States)

    Darmon, Alexandre; Benzaquen, Michael; Seč, David; Čopar, Simon; Dauchot, Olivier; Lopez-Leon, Teresa

    2016-01-01

    Liquid crystals, when confined to a spherical shell, offer fascinating possibilities for producing artificial mesoscopic atoms, which could then self-assemble into materials structured at a nanoscale, such as photonic crystals or metamaterials. The spherical curvature of the shell imposes topological constraints in the molecular ordering of the liquid crystal, resulting in the formation of defects. Controlling the number of defects, that is, the shell valency, and their positions, is a key success factor for the realization of those materials. Liquid crystals with helical cholesteric order offer a promising, yet unexplored way of controlling the shell defect configuration. In this paper, we study cholesteric shells with monovalent and bivalent defect configurations. By bringing together experiments and numerical simulations, we show that the defects appearing in these two configurations have a complex inner structure, as recently reported for simulated droplets. Bivalent shells possess two highly structured defects, which are composed of a number of smaller defect rings that pile up through the shell. Monovalent shells have a single radial defect, which is composed of two nonsingular defect lines that wind around each other in a double-helix structure. The stability of the bivalent configuration against the monovalent one is controlled by c = h/p, where h is the shell thickness and p the cholesteric helical pitch. By playing with the shell geometry, we can trigger the transition between the two configurations. This transition involves a fascinating waltz dynamics, where the two defects come closer while turning around each other. PMID:27493221

  8. Fluctuating shells under pressure

    Science.gov (United States)

    Paulose, Jayson; Vliegenthart, Gerard A.; Gompper, Gerhard; Nelson, David R.

    2012-01-01

    Thermal fluctuations strongly modify the large length-scale elastic behavior of cross-linked membranes, giving rise to scale-dependent elastic moduli. Whereas thermal effects in flat membranes are well understood, many natural and artificial microstructures are modeled as thin elastic shells. Shells are distinguished from flat membranes by their nonzero curvature, which provides a size-dependent coupling between the in-plane stretching modes and the out-of-plane undulations. In addition, a shell can support a pressure difference between its interior and its exterior. Little is known about the effect of thermal fluctuations on the elastic properties of shells. Here, we study the statistical mechanics of shape fluctuations in a pressurized spherical shell, using perturbation theory and Monte Carlo computer simulations, explicitly including the effects of curvature and an inward pressure. We predict novel properties of fluctuating thin shells under point indentations and pressure-induced deformations. The contribution due to thermal fluctuations increases with increasing ratio of shell radius to thickness and dominates the response when the product of this ratio and the thermal energy becomes large compared with the bending rigidity of the shell. Thermal effects are enhanced when a large uniform inward pressure acts on the shell and diverge as this pressure approaches the classical buckling transition of the shell. Our results are relevant for the elasticity and osmotic collapse of microcapsules. PMID:23150558

  9. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-22

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

  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. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

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

    2005-01-01

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

  12. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S

    2010-01-01

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

  13. Magnetism of electrons in atoms and superatoms

    Science.gov (United States)

    Medel, Victor; Reveles, J. Ulises; Khanna, Shiv N.

    2012-09-01

    The quantum states of electrons in small symmetric metallic clusters are grouped into shells similar to the electronic shells in free atoms, leading to the conceptual basis for defining superatoms. The filling of the electronic shells in clusters, however, do not follow Hund's rule and usually result in non-magnetic species. It is shown that by embedding a transition metal in group II atoms, one can stabilize superatoms with unpaired electronic supershells. We demonstrate this intriguing effect through electronic structure studies of MnSrn (n = 6-12) clusters within first principles generalized gradient calculations. The studies identify an unusually stable magnetic MnSr9 species with a large exchange splitting of 1.82 eV of the superatomic D-states. It is shown that the exchange split d-states in the Mn atom induce exchange splitting in S and D superatomic shells because of the hybridization between orbitals of selected parity. The magnetic MnSr9 cluster with 25 valence electrons has filled 1S2, 1P6, 1D10, 2S2 shells, making it highly stable, and an open shell of 5 unpaired D electrons breeding the magnetic moment. The stable cluster is resistant to collapse as two motifs are united to form a supermolecule.

  14. Shell-like structures

    CERN Document Server

    Altenbach, Holm

    2011-01-01

    In this volume, scientists and researchers from industry discuss the new trends in simulation and computing shell-like structures. The focus is put on the following problems: new theories (based on two-dimensional field equations but describing non-classical effects), new constitutive equations (for materials like sandwiches, foams, etc. and which can be combined with the two-dimensional shell equations), complex structures (folded, branching and/or self intersecting shell structures, etc.) and shell-like structures on different scales (for example: nano-tubes) or very thin structures (similar

  15. Galvanic displacement synthesis of Al/Ni core–shell pigments and their low infrared emissivity application

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Le, E-mail: yuanle.cn@gmail.com [Center for Advanced Materials and Energy, Xihua University, Chengdu, 610039 (China); National Engineering Research Center of Electromagnetic Radiation Control Materials, UESTC, Chengdu, 610054 (China); Hu, Juan [Center for Advanced Materials and Energy, Xihua University, Chengdu, 610039 (China); Weng, Xiaolong [National Engineering Research Center of Electromagnetic Radiation Control Materials, UESTC, Chengdu, 610054 (China); Zhang, Qingyong [Center for Advanced Materials and Energy, Xihua University, Chengdu, 610039 (China); Deng, Longjiang [National Engineering Research Center of Electromagnetic Radiation Control Materials, UESTC, Chengdu, 610054 (China)

    2016-06-15

    We have successfully developed a magnetic Al/Ni core–shell pigment via a galvanic displacement reaction to obtain low infrared emissivity pigment with low lightness and visible light reflectance. Al/Ni core–shell particles were prepared via a simple one-step synthetic method where Ni was deposited onto the Al surface at the expense of Al atoms. The influence of pH and the amount of NH{sub 4}F complexing agent on phase structure, surface morphology, optical and magnetic properties were studied systematically. The neutral condition and high concentration of NH{sub 4}F forms smooth, flat, uniform and dense Ni shell on the surface of flake Al particles, which can significantly reduce the lightness and visible light reflectance but slightly increase the infrared emissivity. When the core–shell pigments are prepared in neutral pH solution at NH{sub 4}F = 11.2 g/L, the lightness (L{sup *}) and visual light reflectivity can be reduced by 12.6 and 0.46, respectively versus uncoated flake Al pigments, but the infrared emissivity is only increased by 0.02. The color changes from brilliant silver to gray black and the saturation magnetization value is 6.59 emu/g. Therefore, these Al/Ni magnetic composite pigments can be used as a novel low infrared emissivity pigment to improve the multispectral stealth performance of low-E coatings in the visual, IR and Radar wavebands. - Highlights: • Prepared magnetic Al/Ni core–shell pigment with low lightness and low emissivity. • Used one-pot galvanic displacement reaction to form smooth and dense Ni shell. • Show enhanced stealth performance in the visual, IR and Radar wavebands. • The lightness and visible light reflectance was decreased by 12.6 and 0.46. • But the infrared emissivity was only increases by 0.02.

  16. Ab Initio Calculations of X-ray Spectra : Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes

    NARCIS (Netherlands)

    Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon; Foehlisch, Alexander; de Groot, Frank; Wernet, Philippe; Odelius, Michael

    2012-01-01

    A new ab initio approach to the calculation of X-ray spectra is demonstrated. It combines a high-level quantum chemical description of the chemical interactions and local atomic multiplet effects. We show here calculated L-edge X-ray absorption (XA) and resonant inelastic X-ray scattering spectra

  17. Qualitative and Quantitative Content Determination of Macro-Minor Elements in Bryonia Alba L. Roots using Flame Atomic Absorption Spectroscopy Technique.

    Science.gov (United States)

    Karpiuk, Uliana Vladimirovna; Al Azzam, Khaldun Mohammad; Abudayeh, Zead Helmi Mahmoud; Kislichenko, Viktoria; Naddaf, Ahmad; Cholak, Irina; Yemelianova, Oksana

    2016-06-01

    To determine the elements in Bryonia alba L. roots, collected from the Crimean Peninsula region in Ukraine. Dry ashing was used as a flexible method and all elements were determined using atomic absorption spectrometry (AAS) equipped with flame and graphite furnace. The average concentrations of the determined elements, expressed as mg/100 g dry weight of the sample, were as follow: 13.000 for Fe, 78.000 for Si, 88.000 for P, 7.800 for Al, 0.130 for Mn, 105.000 for Mg, 0.030 for Pb, 0.052 for Ni, 0.030 for Mo, 210.000 for Ca, 0.130 for Cu, 5.200 for Zn, 13.000 for Na, 1170.000 for K, 0.780 for Sr, 0.030 for Co, 0.010 for Cd, 0.010 for As, and 0.010 for Hg. Toxic elements such as Cd and Pb were also found but at very low concentration. Among the analyzed elements, K was the most abundant followed by Ca, Mg, P, Si, Fe, Na, and Zn, whereas Hg, As, Cd, Co, Mo, and Pb were found in low concentration. The results suggest that the roots of Bryonia alba L. plant has potential medicinal property through their high element contents present. Moreover, it showed that the AAS method is a simple, fast, and reliable for the determination of elements in plant materials. The obtained results of the current study provide justification for the usage of such fruit in daily diet for nutrition and for medicinal usage in the treatment of various diseases.

  18. Masking Agents Evaluation for Lead Determination by Flow Injection-Hydride Generation-Atomic Fluorescence Spectrometry Technique: Effect of KI, L-Cysteine, and 1,10-Phenanthroline

    Directory of Open Access Journals (Sweden)

    Blanca G. Beltrán

    2016-01-01

    Full Text Available Hydride generation (HG of lead technique presents interferences from foreign ions of complex matrix samples. In order to minimize these interferences, the effect of masking agents such as KI, L-cysteine, and 1,10-phenanthroline was studied in the absence and in the presence of selected interfering species (As, Cr, Cu, and Fe. Different modes of addition of masking agents were accomplished, that is, to either sample or KBH4 reducing solution. The lead determinations were performed using a flow injection analysis (FIA system coupled to HG and atomic fluorescence spectrometry (AFS. The linearity of calibration curves (1–10 μg Pb L−1 was not affected by the addition of the masking agents. The use of KI in the reducing solution diminished interferences from concentrations of As and Cu, while 1,10-phenanthroline showed a positive effect on the interference by As. Moreover, Cr and Cu appeared to be the most serious interfering ions for plumbane (PbH4, because they drastically reduced the analytical signal of lead. Fe did not present any interference under the employed experimental conditions, even at high levels. The accuracy was established through the analysis of certified reference material (i.e., BCR-610, groundwater using KI as masking agent. The detection limit reached by FIA-HG-AFS proposed methodology was 0.03 μg Pb L−1.

  19. SHELL ISOTOPE GEOCHEMISTRY

    African Journals Online (AJOL)

    Valley. Although fossil specimens of this subspecies have been used in palaeoclimatic reconstruction, there have been no previous reports of living examples. Here We describe the local habitat, climate and some aspects of ecology and isotopic variation within the snail shell. If isotope data can be obtained for fossil shells, ...

  20. Learning the Bash Shell

    CERN Document Server

    Newham, Cameron

    2005-01-01

    This refreshed edition serves as the most valuable guide yet to the bash shell. It's full of practical examples of shell commands and programs guaranteed to make everyday use of Linux that much easier. Includes information on key bindings, command line editing and processing, integrated programming features, signal handling, and much more!

  1. Atomic physics

    CERN Document Server

    Born, Max

    1969-01-01

    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.

  2. Early Atomism

    Indian Academy of Sciences (India)

    http://www.ias.ac.in/article/fulltext/reso/015/10/0905-0925. Keywords. Atomic theory; Avogadro's hypothesis; atomic weights; periodic table; valence; molecular weights; molecular formula; isomerism. Author Affiliations. S Ramasesha1. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, ...

  3. Atomic scale simulations of hydrogen implantation defects in hydrogen implanted silicon - smart Cut technology; Simulations a l'echelle atomique des defauts de l'implantation de l'hydrogene en silicium - technologie smart Cut

    Energy Technology Data Exchange (ETDEWEB)

    Bilteanu, L.

    2010-12-15

    The topic of this thesis is related to the implantation step of the SmartCut{sup TM} 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)

  4. A Study of the Nearfield of an Excited Spherical Shell.

    Science.gov (United States)

    1980-03-17

    screwed on an aluminum adapter (1/2 inch in diameter, 1/4 inch thick) which was attached to the shell with epoxy resin. Both of the shells were...Spheres in Water," J. Acoust. Soc. Amer. 41, 380-393 (1967). 7. Dragonette, L. R., Vogt, R. H., Flax , L. and Neubauer, W. G., "Acoustic Reflection from...34High Frequency Response of an Elastic Spherical Shell," J. Appl. Mech. 36, 4, 859-864 (December 1969). 9. Flax , L., "High ka Scattering of Elastic

  5. Test Report for Cesium and Solids Removal from an 11.5L Composite of Archived Hanford Double Shell Tank Supernate for Off-Site Disposal

    Energy Technology Data Exchange (ETDEWEB)

    Doll, Stephanie R. [Hanford Site (HNF), Richland, WA (United States); Cooke, Gary A. [Hanford Site (HNF), Richland, WA (United States)

    2017-08-31

    The 222-S Laboratory blended supernate waste from Hanford Tanks 241-AN-101, 241-AN- 106, 241-AP-105, 241-AP-106, 241-AP-107, and 241-AY-101 from the hot cell archive to create a bulk composite. The composite was blended with 600 mL 19.4 M NaOH, which brought the total volume to approximately 11.5 L (3 gal). The composite was filtered to remove solids and passed through spherical resorcinol-formaldehyde ion-exchange resin columns to remove cesium. The composite masses were tracked as a treatability study. Samples collected before, during, and after the ion-exchange process were characterized for a full suite of analytes (inorganic, organic, and radionuclides) to aid in the classification of the waste for shipping, receiving, treatment, and disposal determinations.

  6. Test Report for Cesium and Solids Removal from an 11.5L Composite of Archived Hanford Double Shell Tank Supernate for Off-Site Disposal.

    Energy Technology Data Exchange (ETDEWEB)

    Doll, S. R.; Cooke, G. A.

    2017-08-31

    The 222-S Laboratory blended supernate waste from Hanford Tanks 241-AN-101, 241-AN- 106, 241-AP-105, 241-AP-106, 241-AP-107, and 241-AY-101 from the hot cell archive to create a bulk composite. The composite was blended with 600 mL 19.4 M NaOH, which brought the total volume to approximately 11.5 L (3 gal). The composite was filtered to remove solids and passed through spherical resorcinol-formaldehyde ion-exchange resin columns to remove cesium. The composite masses were tracked as a treatability study. Samples collected before, during, and after the ion exchange process were characterized for a full suite of analytes (inorganic, organic, and radionuclides) to aid in the classification of the waste for shipping, receiving, treatment, and disposal determinations.

  7. Study of total ionization by {alpha} particles, in pure gases and gaseous mixtures containing metastable atoms, as a function of temperature; Etude de l'ionisation totale par les paricules {alpha}, dans les gaz purs et les melanges gazeux contenant des atomes metastables, en fonction de la temperature

    Energy Technology Data Exchange (ETDEWEB)

    Bristeau, P. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    Experiments have been carried out on the total ionization by alpha particles, in pure gases and gaseous mixtures containing metastable atoms, as a function of temperature. Using a different experimental method, the results for the mean ionization energy at 300 K given by Jesse in 1953 have been confirmed to within 1 per cent. It is established that in pure gases the mean energy W required to form a pair of ions remains constant as the temperature varies from 77 to 300 K. It is shown that there is a temperature effect for W in binary gas mixtures of the type A-B containing meta-stable atoms A{sup *} and an 'impurity' B. A systematic study is made of the change {delta}W in W as a function of the temperature and of the B 'impurity' concentration in the mixtures Ne - Ar, Ne - Kr, Ne - H{sub 2}, Ne - N{sub 2}, Ne - CH{sub 4} and He - Ar. Experiments have been carried out on a ternary gas mixture of the type A - B - C, where C is a second ionizable 'impurity' added to the binary mixture A - B; they show the existence of excited atoms B{sup *} formed from the 'impurity' B. Finally, it is shown that the amount of metastable atoms formed in a pure gas must be very close to the number N{sub 0} of ion pairs, and that there must exist a correlation between the number N{sub 0} of ion pairs and the number {approx_equal} N{sub 0} of metastable atoms created in the pure rare gases. (author) [French] On realise des experiences sur l'ionisation totale par les particules alpha, dans les gaz purs et les melanges gazeux contenant des atomes metastables, en fonction de la temperature. Avec une methode experimentale differente, on retrouve a mieux que 1 pour cent pres les valeurs de l'energie moyenne d'ionisation que JESSE a obtenues en 1953 et a 300 K. On etablit que dans les gaz purs, l'energie moyenne W pour creer une paire d'ions demeure constante, quand la temperature varie entre 77 et 300 K. On met en evidence un

  8. Nuclear shell theory

    CERN Document Server

    de-Shalit, Amos; Massey, H S W

    1963-01-01

    Nuclear Shell Theory is a comprehensive textbook dealing with modern methods of the nuclear shell model. This book deals with the mathematical theory of a system of Fermions in a central field. It is divided into three parts. Part I discusses the single particle shell model. The second part focuses on the tensor algebra, two-particle systems. The last part covers three or more particle systems. Chapters on wave functions in a central field, tensor fields, and the m-Scheme are also presented. Physicists, graduate students, and teachers of nuclear physics will find the book invaluable.

  9. The thermal conductivity of SiGe heterostructure nanowires with different cores and shells

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Kedong, E-mail: kedongbi@seu.edu.cn [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China); Wang, Jianqiang; Wang, Yujuan; Sha, Jingjie [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China); Wang, Zan [School of Mechanical and Electrical Engineering, Henan University of Technology, Zhengzhou, 450001 (China); Chen, Minhua [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China); Chen, Yunfei, E-mail: yunfeichen@seu.edu.cn [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China)

    2012-08-20

    Non-equilibrium molecular dynamics (NEMD) simulation is performed to investigate thermal conductivities of two kinds of SiGe heterostructure nanowires (NWs), core(Si)/shell(Ge) and core(Ge)/(Si) NWs, using different interaction potentials between core and shell atoms. The influence of the proportion of core particles on the overall thermal conductivity of NWs is studied as well. Simulation results demonstrate that thermal conductivities of each kind of NWs with strong potential between core and shell atoms are higher than those of their counterparts with weak interaction between Si and Ge atoms. It is also found that thermal conductivities of both kinds of Si/Ge heterostructure NWs reduce with the decrease of the proportion of core atoms when the shell is not very thick. -- Highlights: ► Van der Waals and covalent interactions between the core and shell are compared. ► The role of shell in core–shell nanowire's thermal conductivity is investigated. ► A good heat conductor should be viewed as shell to get low thermal conductivity. ► The thermal conductivity is influenced by the proportion of core particles.

  10. Snap-Through Buckling Problem of Spherical Shell Structure

    Directory of Open Access Journals (Sweden)

    Sumirin Sumirin

    2014-12-01

    Full Text Available This paper presents results of a numerical study on the nonlinear behavior of shells undergoing snap-through instability. This research investigates the problem of snap-through buckling of spherical shells applying nonlinear finite element analysis utilizing ANSYS Program. The shell structure was modeled by axisymmetric thin shell of finite elements. Shells undergoing snap-through buckling meet with significant geometric change of their physical configuration, i.e. enduring large deflections during their deformation process. Therefore snap-through buckling of shells basically is a nonlinear problem. Nonlinear numerical operations need to be applied in their analysis. The problem was solved by a scheme of incremental iterative procedures applying Newton-Raphson method in combination with the known line search as well as the arc- length methods. The effects of thickness and depth variation of the shell is taken care of by considering their geometrical parameter l. The results of this study reveal that spherical shell structures subjected to pressure loading experience snap-through instability for values of l≥2.15. A form of ‘turn-back’ of the load-displacement curve took place at load levels prior to the achievement of the critical point. This phenomenon was observed for values of l=5.0 to l=7.0.

  11. \\*".;l

    African Journals Online (AJOL)

    l\\enn age, bodymass and basol plasma LH concentration of lte ile F:rance, Finnish Landrace and Gotltinder lmnbs. a b Within each coluntn, means having the same superscript cl<-r not differ significantly from eachother. Ile de France. Finnish l.andrace. Gotldnder intervals. Mean basal LH levels were found to i:e related.

  12. In situ study by atomic force microscopy of localised corrosion on a 304L stainless steel; Etude in situ par microscopie a force atomique de la corrosion localisee d'un acier inoxydable 304L

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F

    2005-12-15

    At this time, the understanding of the initiation of localized corrosion on stainless steels (SS) is still limited. In this context, the present work aimed at observing in situ by Atomic Force Microscopy (AFM) the initiation of corrosion pits and stress corrosion cracking (SCC) cracks. In order to complete the project, a new technique associating an AFM, an electrochemical cell and a traction platform as been developed. It allows in situ imaging of the surface evolutions of a 304L SS at the nano-scale. under controlled potential and/or under stress conditions. We show that corrosion pits initiate preferentially in relation with nano-metric defects of the surface. For the first time, a real-time kinetic study of the first steps of nano-metric pits growth has been performed. This study corroborates the 'point-defect' model (vertical pit growth speed of 0.18 angstrom.s{sup -1}, current densities inside pits evaluated to 73 {mu}jA.cm{sup -2}. Combined with the EBSD technique (Electron Backscattered Diffraction), the AFM allows a total indexing of the activated slip systems during deformation and give information about the number of emerged dislocations (few units). The effect of strain hardening at the nano-scale on pitting susceptibility has been investigated: 70% of the pits set up at strain hardened areas. To explain this phenomenon, we propose a simple model based on the modification of the local work function of the surface due to local stress gradients. Concerning SCC, the first in situ observations seem to validate Magnin's mechanism: crack initiation appears at strain concentration spots. Observed after anodization of our 304L surface, organized arrays of nano-cavities (period of 50-100 nm) have been analyzed. In collaboration with an INSERM team, we showed that such nano-structured surfaces increase the adhesion and differentiation of bone cells. (author)

  13. Shells and Patterns

    Science.gov (United States)

    Sutley, Jane

    2009-01-01

    "Shells and Patterns" was a project the author felt would easily put smiles on the faces of her fifth-graders, and teach them about unity and the use of watercolor pencils as well. It was thrilling to see the excitement in her students as they made their line drawings of shells come to life. For the most part, they quickly got the hang of…

  14. Adlay (薏苡 yì yĭ; “soft-shelled job's tears”; the seeds of Coix lachryma-jobi L. var. ma-yuen Stapf is a Potential Cancer Chemopreventive Agent toward Multistage Carcinogenesis Processes

    Directory of Open Access Journals (Sweden)

    Ching-Chuan Kuo, Ph.D.

    2012-10-01

    Full Text Available Adlay (薏苡 yì yĭ; “soft-shelled job’s tears”, the seeds of Coix lachryma-jobi L. var. ma-yuen Stapf is a grass crop that has long been used in traditional Chinese medicine (TCM and as a nourishing food in China for the treatment of warts, chapped skin, rheumatism, neuralgia, inflammatory, and neoplastic diseases. In addition, adlay also has been said to have stomachic, diuretic, antipholgistic, anodynic, and antispasmodic effects. Carcinogenesis is a multistage process that begins with exposure of viruses or chemicals that are found in the environment. Chemoprevention refers to the use of natural or synthetic, non-toxic chemical substances to reverse, repress, or prevent carcinogenesis. In this review, we summarize recent research attempting to study the chemopreventive blocking and suppressing potential of adlay and its active components in scavenging electrophiles and reactive oxygen species, antimutagenicity, enhancing Nrf2-mediated detoxification and antioxidant effect, altering carcinogen metabolism, suppressing proliferation, decreasing inflammation, and enhancing antitumor immunity. In addition, several active components with diverse chemopreventive properties have been also mentioned in this review article.

  15. Adlay ( yì yĭ; "soft-shelled job's tears"; the seeds of Coix lachryma-jobi L. var. ma-yuen Stapf) is a Potential Cancer Chemopreventive Agent toward Multistage Carcinogenesis Processes.

    Science.gov (United States)

    Kuo, Ching-Chuan; Chen, Huang-Hui; Chiang, Wenchang

    2012-10-01

    Adlay ( yì yĭ "soft-shelled job's tears", the seeds of Coix lachryma-jobi L. var. ma-yuen Stapf) is a grass crop that has long been used in traditional Chinese medicine (TCM) and as a nourishing food in China for the treatment of warts, chapped skin, rheumatism, neuralgia, inflammatory, and neoplastic diseases. In addition, adlay also has been said to have stomachic, diuretic, antipholgistic, anodynic, and antispasmodic effects. Carcinogenesis is a multistage process that begins with exposure of viruses or chemicals that are found in the environment. Chemoprevention refers to the use of natural or synthetic, non-toxic chemical substances to reverse, repress, or prevent carcinogenesis. In this review, we summarize recent research attempting to study the chemopreventive blocking and suppressing potential of adlay and its active components in scavenging electrophiles and reactive oxygen species, antimutagenicity, enhancing Nrf2-mediated detoxification and antioxidant effect, altering carcinogen metabolism, suppressing proliferation, decreasing inflammation, and enhancing antitumor immunity. In addition, several active components with diverse chemopreventive properties have been also mentioned in this review article.

  16. Adlay (薏苡 yì yĭ; “soft-shelled job's tears”; the seeds of Coix lachryma-jobi L. var. ma-yuen Stapf) is a Potential Cancer Chemopreventive Agent toward Multistage Carcinogenesis Processes

    Science.gov (United States)

    Kuo, Ching-Chuan; Chen, Huang-Hui; Chiang, Wenchang

    2012-01-01

    Adlay (薏苡 yì yĭ “soft-shelled job's tears”, the seeds of Coix lachryma-jobi L. var. ma-yuen Stapf) is a grass crop that has long been used in traditional Chinese medicine (TCM) and as a nourishing food in China for the treatment of warts, chapped skin, rheumatism, neuralgia, inflammatory, and neoplastic diseases. In addition, adlay also has been said to have stomachic, diuretic, antipholgistic, anodynic, and antispasmodic effects. Carcinogenesis is a multistage process that begins with exposure of viruses or chemicals that are found in the environment. Chemoprevention refers to the use of natural or synthetic, non-toxic chemical substances to reverse, repress, or prevent carcinogenesis. In this review, we summarize recent research attempting to study the chemopreventive blocking and suppressing potential of adlay and its active components in scavenging electrophiles and reactive oxygen species, antimutagenicity, enhancing Nrf2-mediated detoxification and antioxidant effect, altering carcinogen metabolism, suppressing proliferation, decreasing inflammation, and enhancing antitumor immunity. In addition, several active components with diverse chemopreventive properties have been also mentioned in this review article. PMID:24716141

  17. Electron impact experimental study of single and double ionisation of atoms and small molecules; Etude experimentale par impact electronique de l'ionisation simple et double d'atomes et de petites molecules

    Energy Technology Data Exchange (ETDEWEB)

    Naja, A.

    2008-11-15

    (e,2e) and (e,3e) experiments constitute a privileged tool for studying the dynamics of electron impact single and double ionization of small systems, and more generally for contributing to the understanding of the N-body interaction problem. In this work, we have performed such experiments in an unexplored kinematical regime where the momentum transferred to the residual ion is large, so that the ion plays a major role in the interaction process. The experimental results are compared to those of the most sophisticated theoretical models. We have measured the triply differential cross sections (TDCS) for single ionization of He and H{sub 2}. Their comparison allowed showing the presence for the H{sub 2} molecule of Young type quantal interference effects. We then discuss TDCS measurements for Ne and N{sub 2} ionized either on an outer or an inner orbital. The results show the importance of the post collisional interactions and the role played by the nucleus. Finally, we study the competition between different ionization processes of argon: (e,2e) single ionization of the inner 2p shell on the one hand, and a direct (3p{sup -2}) (e,3e) double ionization or an indirect one via the Auger process implying the 2p shell, on the other hand. Under the chosen kinematics, these processes may compete or interfere with each other. The emphasis is put on their respective contribution, particularly for the Auger effect. Several structures observed in the angular distribution of the (e,3e) cross section are attributed to different ionization mechanisms. (author)

  18. Investigation of Ni@CoO core-shell nanoparticle films synthesized by sequential layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Spadaro, M.C., E-mail: mariachiara.spadaro@unimore.it [CNR-NANO, via G. Campi 213/a, 41125 Modena (Italy); Dipartimento FIM, Università di Modena e Reggio Emilia, via G. Campi 213/a, 41125 Modena (Italy); Luches, P. [Dipartimento FIM, Università di Modena e Reggio Emilia, via G. Campi 213/a, 41125 Modena (Italy); Benedetti, F.; Valeri, S. [CNR-NANO, via G. Campi 213/a, 41125 Modena (Italy); Dipartimento FIM, Università di Modena e Reggio Emilia, via G. Campi 213/a, 41125 Modena (Italy); Turchini, S. [CNR-ISM, Via Fosso del Cavaliere 100, 00133 Roma (Italy); Bertoni, G. [CNR-IMEM, Parco Area delle Scienze 37/a, 43124 Parma (Italy); Ferretti, A.M.; Capetti, E.; Ponti, A. [Laboratorio di Nanotecnologie, Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche, via G. Fantoli 16/15, 20138 Milano (Italy); D’Addato, S. [CNR-NANO, via G. Campi 213/a, 41125 Modena (Italy); Dipartimento FIM, Università di Modena e Reggio Emilia, via G. Campi 213/a, 41125 Modena (Italy)

    2017-02-28

    Highlights: • We studied Ni/CoO core-shell nanoparticles (NP) obtained with a gas aggregation source. • The NP oxide shells were produced bye reactive deposition of Co in Oxygen atmosphere (p{sub O2} ≈ 10{sup −7} mbar). • XPS, SEM, STEM were used to obtain information on Ni chemical state and NP structure and morphology. • XMCD result showed evidence of remanent magnetization at room temperature. • We interpret XMCD results as due to stabilization induced by exchange bias due to AFM/FM coupling at the core/shell interface. - Abstract: Films of Ni@CoO core-shell nanoparticles (NP Ni core size d ≈ 11 nm) have been grown on Si/SiO{sub x} and lacey carbon supports, by a sequential layer deposition method: a first layer of CoO was evaporated on the substrate, followed by the deposition of a layer of pre-formed, mass-selected Ni NPs, and finally an overlayer of CoO was added. The Ni NPs were formed by a magnetron gas aggregation source, and mass selected with a quadrupole mass filter. The morphology of the films was investigated with Scanning Electron Microscopy and Scanning Transmission Electron Microscopy. The Ni NP cores have a shape compatible with McKay icosahedron, caused by multitwinning occurring during their growth in the source, and the Ni NP layer shows the typical random paving growth mode. After the deposition of the CoO overlayer, CoO islands are observed, gradually extending and tending to merge with each other, with the formation of shells that enclose the Ni NP cores. In situ X-ray Photoelectron Spectroscopy showed that a few Ni atomic layers localized at the core-shell interface are oxidized, hinting at the possibility of creating an intermediate NiO shell between Ni and CoO, depending on the deposition conditions. Finally, X-ray Magnetic Circular Dichroism at the Ni L{sub 2,3} absorption edge showed the presence of magnetization at room temperature even at remanence, revealing the possibility of magnetic stabilization of the NP film.

  19. Antifungal evaluation of shell pyrolysates of oil palm ( Elaeis ...

    African Journals Online (AJOL)

    Antifungal evaluation of shell pyrolysates of oil palm (Elaeis guineensis Jacy) and coconut (Cocos nucifera L.) Buniyamin A. Ayinde, Godwin Josephs, Michael Malomo, Lawrence Okoh, Abdul Ganiy Badmus, Nabeel A. Adeyemi ...

  20. Atomic interferometry; Interferometrie atomique

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-07-01

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

  1. Photo-induced valence change of the sulfur atom in an L-cysteine thin film grown on a silver metal substrate in a saliva-emulated aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Tsujibayashi, Toru [Department of Physics, Osaka Dental University, 8-1 Kuzuha-hanazono, Hirakata, Osaka 573-1121 (Japan); Azuma, Junpei; Yamamoto, Isamu; Takahashi, Kazutoshi; Kamada, Masao [Synchrotron Light Application Center, Saga University, 1 Honjo, Saga, Saga 840-8502 (Japan)

    2015-04-27

    A thin film of L-cysteine (HSCH{sub 2}CH(NH{sub 2})COOH) is grown on a silver substrate in saliva-emulated aqueous solution. X-ray photoemission spectroscopic measurements have revealed that the sulfur atom shows valence change under IR laser irradiation at 825 nm. The valence change maintains for about a minute at room temperature and more than an hour between 110 and 250 K after stopping the laser irradiation. It is not observed at all at temperatures lower than 110 K. This temperature-dependent behavior indicates that the photo-excited electronic change should be accompanied by a conformational change in the L-cysteine molecule. It is strongly suggested that the reversible valence change of the sulfur atom is applicable to a memory used around room temperature.

  2. Cu–Ni core–shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiang, E-mail: wangqiang@njtech.edu.cn; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui [Nanjing Tech University, School of Chemistry and Molecular Engineering, Institute of Advanced Synthesis (IAS) (China)

    2017-02-15

    Bimetallic core–shell nanoparticles (CSNPs) have attracted great interest not only because of their superior stability, selectivity, and catalytic activity but also due to their tunable properties achieved by changing the morphology, sequence, and sizes of both core and shell. In this study, the structure, stability, charge transfer, electronic, and magnetic properties of 13-atom and 55-atom Cu and Cu–Ni CSNPs were investigated using the density functional theory (DFT) calculations. The results show that Ni@Cu CSNPs with a Cu surface shell are more energetically favorable than Cu@Ni CSNPs with a Ni surface shell. Interestingly, three-shell Ni@Cu{sub 12}@Ni{sub 42} is more stable than two-shell Cu{sub 13}@Ni{sub 42}, while two-shell Ni{sub 13}@Cu{sub 42} is more stable than three-shell Cu@Ni{sub 12}@Cu{sub 42}. Analysis of Bader charge illustrates that the charge transfer increases from Cu core to Ni shell in Cu@Ni NPs, while it decreases from Ni core to Cu shell in Ni@Cu NPs. Furthermore, the charge transfer results that d-band states have larger shift toward the Fermi level for the Ni@Cu CSNPs with Cu surface shell, while the Cu@Ni CSNPs with Ni surface shell have similar d-band state curves and d-band centers with the monometallic Ni NPs. In addition, the Cu–Ni CSNPs possess higher magnetic moment when the Ni atoms aggregated at core region of CSNPs, while having lower magnetic moment when the Ni atoms segregate on surface region. The change of the Cu atom location in CSNPs has a weak effect on the total magnetic moment. Our findings provide useful insights for the design of bimetallic core–shell catalysts.

  3. Hirshfeld atom refinement.

    Science.gov (United States)

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

    2014-09-01

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

  4. Synthesis of organoamine-silica hybrids using cashew nut shell ...

    African Journals Online (AJOL)

    Synthesis of organoamine-silica hybrids using cashew nut shell liquid components as templates for the catalysis of a model Henry reaction. ... The prepared materials were characterized by diffuse reflectance Fourier Transform Infrared (FTIR), Atomic Force Microscopy and acid titration. Results indicated that indeed the ...

  5. 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

  6. Multiple electron capture in close ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Schlachter, A.S.; Stearns, J.W.; Berkner, K.H.; Bernstein, E.M.; Clark, M.W.; DuBois, R.D.; Graham, W.G.; Morgan, T.J.; Mueller, D.W.; Stockli, M.P.; Tanis, J.A.; Woodland, W.T. (Lawrence Berkeley Lab., CA (USA); Western Michigan Univ., Kalamazoo, MI (USA); Pacific Northwest Lab., Richland, WA (USA); Queen' s Univ., Belfast, Northern Ireland (UK); Wesleyan Univ., Middletown, CT (USA); University of North Tex

    1989-07-24

    Collisions in which a fast highly charged ion passes within the orbit of K electron of a target gas atom are selected by emission of a K x-ray from the projectile or target. Measurement of the projectile charge state after the collision, in coincidence with the K x-ray, allows measurement of the charge-transfer probability during these close collisions. When the projectile velocity is approximately the same as that of target electrons, a large number of electrons can be transferred to the projectile in a single collision. The electron-capture probability is found to be a linear function of the number of vacancies in the projectile L shell for 47-MeV calcium ions in an Ar target. 18 refs., 9 figs.

  7. From shell logs to shell scripts

    OpenAIRE

    Jacobs, Nico; Blockeel, Hendrik

    2001-01-01

    Analysing the use of a Unix command shell is one of the classic applications in the domain of adaptive user interfaces and user modelling. Instead of trying to predict the next command from a history of commands, we automatically produce scripts that automate frequent tasks. For this we use an ILP association rule learner. We show how to speedup the learning task by dividing it into smaller tasks, and the need for a preprocessing phase to detect frequent subsequences in the data. We illustrat...

  8. Quantum electrodynamics tests and X-rays standards using pionic atoms and highly charged ions; Tests d'electrodynamique quantique et etalons de rayons-X a l'aide des atomes pioniques et des ions multicharges

    Energy Technology Data Exchange (ETDEWEB)

    Martino, Trassinelli

    2005-12-15

    The object of this thesis is to present a new measurement of the pion mass using pionic nitrogen X-ray spectroscopy and results on helium-like argon and sulphur spectroscopy. The new pion mass has been measured with an accuracy of 1.7 ppm, 30% better that the present world average value, and it is obtained from Bragg spectroscopy of 5 ->4 pionic nitrogen transitions using the theoretical predictions provided by quantum electrodynamics. We have got: m({pi}{sup -}) = (139.571042 {+-} 0.000210 {+-} 0.000110) where the first error is due to the statistics and the second is the systematic error. I present the calculation of the hyperfine structure and recoil corrections for pionic atoms using a new perturbation method for the Klein-Gordon equation. The spectrometer used for this measurement has been characterized with the relativistic M1 transitions from helium-like ions produced with a new device, the Electron-Cyclotron-Resonance Ion Trap. High statistics spectra from these ions have enabled us to measure transition energies with an accuracy of some ppm which has allowed us to compare theoretical predictions with experiment data. X-ray emission from pionic atoms and multicharged ions can be used to define new types of X-ray standards for energies of a few keV.

  9. Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX

    Science.gov (United States)

    Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Singh, A. K.; Mohan, Man

    2015-08-01

    We report an extensive theoretical study of atomic data for Sr XXX in a wide range with L-shell electron excitations to the M-shell. We have calculated energy levels, wave-function compositions and lifetimes for lowest 113 fine structure levels and wavelengths of an extreme Ultraviolet (EUV) and soft X-ray (SXR) transitions. We have employed multi-configuration Dirac Fock method (MCDF) approach within the framework of Dirac-Coulomb Hamiltonian including quantum electrodynamics (QED) and Breit corrections. We have also presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions from the ground state. We have made comparisons with available energy levels compiled by NIST and achieve good agreement. But due to inadequate data in the literature, analogous relativistic distorted wave calculations have also been performed using flexible atomic code (FAC) to assess the reliability and accuracy of our results. Additionally, we have provided new atomic data for Sr XXX which is not published elsewhere in the literature and we believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications.

  10. Deterministic tuning of slow-light in photonic-crystal waveguides through the C and L bands by atomic layer deposition

    CERN Document Server

    Chen, Charlton J; Meric, Inanc; Shepard, Ken L; Wong, Chee Wei; Green, William M J; Vlasov, Yurii A; Assefa, Solomon

    2009-01-01

    We demonstrate digital tuning of the slow-light regime in silicon photonic-crystal waveguides by performing atomic layer deposition of hafnium oxide. The high group-index regime was deterministically controlled (red-shift of 140 +/- 10 pm per atomic layer) without affecting the group-velocity dispersion and third-order dispersion. Additionally, differential tuning of 110 +/- 30 pm per monolayer of the slow-light TE-like and TM-like modes was observed. This passive post-fabrication process has potential applications including the tuning of chip-scale optical interconnects, as well as Raman and parametric amplification.

  11. Fabrication of diamond shells

    Science.gov (United States)

    Hamza, Alex V.; Biener, Juergen; Wild, Christoph; Woerner, Eckhard

    2016-11-01

    A novel method for fabricating diamond shells is introduced. The fabrication of such shells is a multi-step process, which involves diamond chemical vapor deposition on predetermined mandrels followed by polishing, microfabrication of holes, and removal of the mandrel by an etch process. The resultant shells of the present invention can be configured with a surface roughness at the nanometer level (e.g., on the order of down to about 10 nm RMS) on a mm length scale, and exhibit excellent hardness/strength, and good transparency in the both the infra-red and visible. Specifically, a novel process is disclosed herein, which allows coating of spherical substrates with optical-quality diamond films or nanocrystalline diamond films.

  12. Sensational spherical shells

    Science.gov (United States)

    Lee, M. C.; Kendall, J. M., Jr.; Bahrami, P. A.; Wang, T. G.

    1986-01-01

    Fluid-dynamic and capillary forces can be used to form nearly perfect, very small spherical shells when a liquid that can solidify is passed through an annular die to form an annular jet. Gravity and certain properties of even the most ideal materials, however, can cause slight asymmetries. The primary objective of the present work is the control of this shell formation process in earth laboratories rather than space microgravity, through the development of facilities and methods that minimize the deleterious effects of gravity, aerodynamic drag, and uncontrolled cooling. The spherical shells thus produced can be used in insulation, recyclable filter materials, fire retardants, explosives, heat transport slurries, shock-absorbing armor, and solid rocket motors.

  13. Atomic Power

    African Journals Online (AJOL)

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

  14. Shell report 2001; Les personnes, la planete, les profits. Shell rapport 2001

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    In 2001, Shell saw mixed results across the social, environmental and economic spectrum. In order to contribute to the sustainable development, the Group is on track towards meeting its target to reduce greenhouse gas emissions to 10 % below 1990 levels by the end of 2002, although there was a significant increase in spill volumes and greenhouse gas emissions rose. Shell has articulated the business case and defined seven principles of sustainable development for use across the Group in business plans and daily operations: generating robust profitability; delivering value to customers; protecting the environment; managing resources; respecting and safeguarding people; benefiting communities; and working with stakeholders. Key points from the Shell Report include: in the framework of Managing, an independent review of the Shell Nigeria Community Development programme and testing of a human rights assessment tool in Shell South Africa and the implementing of a new Diversity and Inclusiveness Standard; in the framework of the economy the cost improvements of 5,1 billion dollars, ahead of target, the second highest earnings ever in difficult market conditions and the election of Shell top brand for fifth year running by motorists; in the framework of the Social, the safety performance, the avoidance of 100 contracts for incompatibility with Shell Business Principles; in the framework of the Environment, the publication of the Fresh water usage report for the first time, the Greenhouse gas emissions, the increase of spills as a result of a small number of incidents including a pipeline rupture in Nigeria and a well blow out in Oman. The economic, environmental and social data of the Shell Report are externally verified. (A.L.B.)

  15. Inner-shell couplings in transiently formed superheavy quasimolecules

    Energy Technology Data Exchange (ETDEWEB)

    Verma, P [Kalindi College, University of Delhi, New Delhi 110008 (India); Mokler, P H [Max-Planck-Institut fuer Kernphysik, 69117 Heidelberg (Germany); Braeuning-Demian, A; Kozhuharov, C; Braeuning, H; Bosch, F; Hagmann, S; Liesen, D [GSI Helmholzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Anton, J; Fricke, B [Universitaet Kassel, 34109 Kassel (Germany); Stachura, Z [Institute for Nuclear Physics, Cracow PL 31342 (Poland); Wahab, M A, E-mail: p.verma.du@gmail.com [Jamia Millia Islamia, Jamia Nagar, New Delhi 110025 (India)

    2011-06-15

    The inner-shell couplings for U{sup q+}-ions (73{<=}q{<=}91) moving moderately slow at {approx}69 MeV u{sup -1} and bombarding thin Au targets have been investigated. Having established the definite survival probability of incoming projectile K vacancies in these targets in an earlier publication, the transfer of these vacancies to the target K-shell due to inner-shell couplings has been studied. As the system is in the quasiadiabatic collision regime for the K-shell of collision partners, advanced SCF-DFS (self-consistent field-Dirac-Fock-Slater) multielectron level diagrams have been used for interpretation. Using a simple model, the L-K shell coupling interaction distance has been estimated and compared with level diagram calculations.

  16. NIF Double Shell outer/inner shell collision experiments

    Science.gov (United States)

    Merritt, E. C.; Loomis, E. N.; Wilson, D. C.; Cardenas, T.; Montgomery, D. S.; Daughton, W. S.; Dodd, E. S.; Desjardins, T.; Renner, D. B.; Palaniyappan, S.; Batha, S. H.; Khan, S. F.; Smalyuk, V.; Ping, Y.; Amendt, P.; Schoff, M.; Hoppe, M.

    2017-10-01

    Double shell capsules are a potential low convergence path to substantial alpha-heating and ignition on NIF, since they are predicted to ignite and burn at relatively low temperatures via volume ignition. Current LANL NIF double shell designs consist of a low-Z ablator, low-density foam cushion, and high-Z inner shell with liquid DT fill. Central to the Double Shell concept is kinetic energy transfer from the outer to inner shell via collision. The collision determines maximum energy available for compression and implosion shape of the fuel. We present results of a NIF shape-transfer study: two experiments comparing shape and trajectory of the outer and inner shells at post-collision times. An outer-shell-only target shot measured the no-impact shell conditions, while an `imaging' double shell shot measured shell conditions with impact. The `imaging' target uses a low-Z inner shell and is designed to perform in similar collision physics space to a high-Z double shell but can be radiographed at 16keV, near the viable 2DConA BL energy limit. Work conducted under the auspices of the U.S. DOE by LANL under contract DE-AC52-06NA25396.

  17. Experimental studies of ions and atoms interaction with insulating surface; Etude experimentale de l'interaction rasante d'atomes et d'ions sur des surfaces isolantes

    Energy Technology Data Exchange (ETDEWEB)

    Villette, J

    2000-10-15

    Grazing collisions (<3 deg.) of keV ions and atoms: H{sup +}, Ne{sup +}, Ne{sup 0}, Na{sup +} on LiF (001) single crystal, an ionic insulator, are investigated by a time of flight technique. The incident beam is chopped and the scattered particles are collected on a position sensitive detector providing differential cross section while the time of flight gives the energy loss. Deflection plates allow the charge state analysis. Secondary electrons are detected in coincidence allowing direct measurements of electron emission yield, angular and energetic distribution through time of flight measurements. The target electronic structure characterized by a large band gap, governs the collisional processes: charge exchange, electronic excitations and electron emission. In particular, these studies show that the population of local target excitations surface excitons is the major contribution to the kinetic energy transfer (stopping power). Auger neutralization of Ne{sup +} and He{sup +} ions reveals the population of quasi-molecular excitons, an exciton bound on two holes. Referenced in the literature as trion. A direct energy balance determines the binding energy associated with these excited states of the surface. Besides these electronic energy loss processes, two nuclear energy loss mechanisms are characterized. These processes imply momentum transfer to individual target atoms during close binary collisions or, if the projectile is charged, to collective mode of optical phonons induced by the projectile coulomb field. The effect of the temperature on the scattering profile, the contribution of topological surface defects to the energy loss profile and to skipping motion on the surface are analyzed in view of classical trajectory simulations. (author)

  18. Experimental determination of the x-ray atomic fundamental parameters of nickel

    Science.gov (United States)

    Ménesguen, Y.; Lépy, M.-C.; Hönicke, P.; Müller, M.; Unterumsberger, R.; Beckhoff, B.; Hoszowska, J.; Dousse, J.-Cl; Błachucki, W.; Ito, Y.; Yamashita, M.; Fukushima, S.

    2018-02-01

    The x-ray atomic properties of nickel (Ni) were investigated in a unique approach combining different experimental techniques to obtain new, useful and reliable values of atomic fundamental parameters for x-ray spectrometric purposes and for comparison with theoretical predictions. We determined the mass attenuation coefficients in an energy range covering the L- and K-absorption edges, the K-shell fluorescence yield and the Kβ/Kα and Kβ1, 3/Kα1, 2 transition probability ratios. The obtained line profiles and linewidths of the Kα and Kβ transitions in Ni can be considered as the contribution of the satellite lines arising from the [KM] shake processes suggested by Deutsch et al (1995 Phys. Rev. A 51 283) and Ito et al (2016 Phys. Rev. A 94 042506). Comparison of the new data with several databases showed good agreement, but also discrepancies were found with existing tabulated values.

  19. Contemporary models of the atomic nucleus

    CERN Document Server

    Nemirovskii, P E

    2013-01-01

    Contemporary Models of the Atomic Nucleus discusses nuclear structure and properties, expounding contemporary theoretical concepts of the low-energy nuclear processes underlying in nuclear models. This book focuses on subjects such as the optical nuclear model, unified or collective model, and deuteron stripping reaction. Other topics discussed include the basic nuclear properties; shell model; theoretical analysis of the shell model; and radiative transitions and alpha-decay. The deuteron theory and the liquid drop nuclear model with its application to fission theory are also mentioned, but o

  20. Visualization of Bacterial Microcompartment Facet Assembly Using High-Speed Atomic Force Microscopy.

    Science.gov (United States)

    Sutter, Markus; Faulkner, Matthew; Aussignargues, Clément; Paasch, Bradley C; Barrett, Steve; Kerfeld, Cheryl A; Liu, Lu-Ning

    2016-03-09

    Bacterial microcompartments (BMCs) are proteinaceous organelles widespread among bacterial phyla. They compartmentalize enzymes within a selectively permeable shell and play important roles in CO2 fixation, pathogenesis, and microbial ecology. Here, we combine X-ray crystallography and high-speed atomic force microscopy to characterize, at molecular resolution, the structure and dynamics of BMC shell facet assembly. Our results show that preformed hexamers assemble into uniformly oriented shell layers, a single hexamer thick. We also observe the dynamic process of shell facet assembly. Shell hexamers can dissociate from and incorporate into assembled sheets, indicating a flexible intermolecular interaction. Furthermore, we demonstrate that the self-assembly and dynamics of shell proteins are governed by specific contacts at the interfaces of shell proteins. Our study provides novel insights into the formation, interactions, and dynamics of BMC shell facets, which are essential for the design and engineering of self-assembled biological nanoreactors and scaffolds based on BMC architectures.

  1. 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.

  2. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.

    1990-01-01

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

  3. Temporal structures in shell models

    DEFF Research Database (Denmark)

    Okkels, F.

    2001-01-01

    The intermittent dynamics of the turbulent Gledzer, Ohkitani, and Yamada shell-model is completely characterized by a single type of burstlike structure, which moves through the shells like a front. This temporal structure is described by the dynamics of the instantaneous configuration of the shell...

  4. Shell nu zelf onder vuur!

    NARCIS (Netherlands)

    ir.ing Ruud Thelosen

    2011-01-01

    Shell heeft zich in de Tweede Kamer moeten verantwoorden voor haar activiteiten in Nigeria. Daarnaast loopt er ook een rechtzaak tegen Shell aangespannen door Milieudefensie namens een groepje gedupeerde Nigeriaanse boeren en viseers. In de VS heeft Shell al een megaboete moeten betalen.

  5. Temporal Structures in Shell Models

    OpenAIRE

    Okkels, Fridolin

    2000-01-01

    The intermittent dynamics of the turbulent GOY shell-model is characterised by a single type of burst-like structure, which moves through the shells like a front. This temporal structure is described by the dynamics of the instantaneous configuration of the shell-amplitudes revealing a approximative chaotic attractor of the dynamics.

  6. Comparison of AFRRI (Armed Forces Radiobiology Research Institute) and ETCA (Etablissement Technique Central de l’Armament) Dosimetry Measurements at AFRRI TRIGA (Training Research Isotopes General Atomic) Reactor

    Science.gov (United States)

    1987-11-01

    TECHNICAL REPORT Comparison of AFRRI and ETCA dosimetry measurements at AFRRI TRIGA reactor M. Dooley G. H. Zeman DEFENSE NUCLEAR AGENCY ARMED...Research Institute (AFRRI) TRIGA (Training Research Isotopes General Atomic) reactor on 10-12 September 1985. The purpose of the experiment was to...anthropomorphic dosimetry phantom (a Incite cylinder 30 cm in diameter and 60 cm tall) in exposure room 1 of the AFRRI TRIGA reactor. As reference

  7. The effects of near-core convective shells on the gravity modes of the subdwarf B pulsator KIC 10553698A

    Science.gov (United States)

    Ghasemi, H.; Moravveji, E.; Aerts, C.; Safari, H.; Vučković, M.

    2017-02-01

    KIC 10553698A is a hot pulsating subdwarf B (sdB) star observed by the Kepler satellite. It exhibits dipole (l = 1) and quadrupole (l = 2) gravity modes with a clear period spacing structure. The seismic properties of the KIC 10553698A provide a test of stellar evolution models, and offer a unique opportunity to determine mixing processes. We consider mixing due to convective overshooting beyond the boundary of the helium burning core. Very small overshooting (f = 10-6) results in a progressive increase in the size of convective core. However, moderate (f = 10-2) and small (f = 10-5) overshooting both lead to the occurrence of inert outer convective shells in the near-core region. We illustrate that the chemical stratifications induced by convective shells are able to change the g-mode period spacing pattern of an sdB star appreciably. The mean period spacing and trapping of the gravity modes in the model with moderate and small core overshooting are fully consistent with the period-spacing trends observed in KIC 10553698A. Atomic diffusion driven by gravitational settling as well as thermal and chemical gradients is applied to reach a better match with the observed period spacings. Models that include small or very small overshooting with atomic diffusion have a decreased lifetime of the extreme horizontal branch phase and produce chemical stratification induced by convective shells during helium burning phase. In addition of being consistent with asteroseismology, their calculated values of the R2 parameter are more compatible with the observed R2 values.

  8. A simple method to obtain very accurate whole atom Compton profiles from photon scattering doubly differential cross sections in relativistic regimes

    Science.gov (United States)

    Lajohn, Larry

    2017-04-01

    Compton profiles (CP) are used in many ways such as for assessing the bonding properties of molecules and solids including semiconductors. The simplest approach to obtain a CP from doubly differential cross sections (DDCS) is to use the nonrelativistic (nr) impulse approximation (IA) expression DDCS =KJ where K is the kinematic factor and J is the CP. A relativistic version of this expression to be referred to as RKJ, an approximation to the full relativistic IA expression is used for relativistic regimes, but it does not give accurate results for the inner and middle shells of moderate to heavy atoms. For example the RKJ error ranges from 3% (Z =30) to about 28% (Z =92) for the K-shell and about 3% (Z =50) to 17% (Z =92) for the 2p shell and is at 6% for 3d (Z =92). In the present work, expressions from nonrelativistic hydrogenlike wavefunctions (with a relativistic QED K) to correct RKJ beyond the K-shell to L and M shells were derived such that relativistic contributions as well as screening effects largely cancel for any regime of energy angle and Z. As a result the RKJ error is reduced to less than 2% over 99% of the momentum distribution range of any subshell CP.

  9. Understanding the Thermal Stability of Palladium-Platinum Core-Shell Nanocrystals by In Situ Transmission Electron Microscopy and Density Functional Theory.

    Science.gov (United States)

    Vara, Madeline; Roling, Luke T; Wang, Xue; Elnabawy, Ahmed O; Hood, Zachary D; Chi, Miaofang; Mavrikakis, Manos; Xia, Younan

    2017-05-23

    Core-shell nanocrystals offer many advantages for heterogeneous catalysis, including precise control over both the surface structure and composition, as well as reduction in loading for rare and costly metals. Although many catalytic processes are operated at elevated temperatures, the adverse impacts of heating on the shape and structure of core-shell nanocrystals are yet to be understood. In this work, we used ex situ heating experiments to demonstrate that Pd@Pt4L core-shell nanoscale cubes and octahedra are promising for catalytic applications at temperatures up to 400 °C. We also used in situ transmission electron microscopy to monitor the thermal stability of the core-shell nanocrystals in real time. Our results demonstrate a facet dependence for the thermal stability in terms of shape and composition. Specifically, the cubes enclosed by {100} facets readily deform shape at a temperature 300 °C lower than that of the octahedral counterparts enclosed by {111} facets. A reversed trend is observed for composition, as alloying between the Pd core and the Pt shell of an octahedron occurs at a temperature 200 °C lower than that for the cubic counterpart. Density functional theory calculations provide atomic-level explanations for the experimentally observed behaviors, demonstrating that the barriers for edge reconstruction determine the relative ease of shape deformation for cubes compared to octahedra. The opposite trend for alloying of the core-shell structure can be attributed to a higher propensity for subsurface Pt vacancy formation in octahedra than in cubes.

  10. Hexagon's atom. History of the relation between France and the nuclear energy; L'atome hexagonal. Histoire de la relation de la France avec le nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Leridon, A

    2009-07-01

    As soon as the end of the second World war, France, with the creation of the atomic energy commission (CEA), started a research program for the development of civil applications of nuclear energy, but also for the development of weapons. The come back of C. De Gaulle at the head of the country fostered the research efforts in both domains. Then, the election of G. Pompidou contributed to separate the military and civilian applications and led to the launching of the big French nuclear power program in March 1974. Nuclear contestation has shown a progressive development too, encouraged by the main accidents of Three Mile Island and more recently Tchernobyl. The debate has progressively moved with time from the safety of power plants towards the management of spent fuels. In this book, the author presents some particularities which are characteristic of France: the remnants of some kind of a 'scientism' inherited of the first half of the 20. century, the particular relations between 'scientists' and the republic, the policy of secret, the power of the senior officials corps and technocrats, the French taste for big works, the republican Jacobinism, the liabilities more easily given to State corps than to industrialists, and finally, on the opponents side, the search for the spectacular action to the detriment of efficiency. In this big fight, the know-how of nationalized companies, EdF and CEA, has been undeniable. The political power has very often taken refuge behind their competence but sometimes with a lack of democracy.

  11. Truly Nonionic Polymer Shells for the Encapsulation of Living Cells

    Science.gov (United States)

    2011-07-04

    microcapsules and ultrathin shells for cells.[41–48] The ability to tailor membrane permeability is of particular importance for encapsulation of living...considered to be promising for designing structures on biological systems.[58–60] In order to design individual cell-compatible synthetic shells, we...recently designed highly permeable, hydrogen- bonded LbL coatings utilizing tannic acid (TA), and poly(N- vinylpyrrolidone) (PVPON), which result in

  12. Photoionization of open-shell Cl@C60

    Science.gov (United States)

    Shields, Dakota; de, Ruma; Madjet, Mohamed; Manson, Steven T.; Chakraborty, Himadri

    2017-04-01

    The ground state of the atomically open-shell Cl@C60 endofullerene molecule is modeled in a spherical local density approximation (LDA) augmented by the Leeuwen and Baerends exchange-correlation functional where the core of sixty C4+ ions is jelliumized. A time-dependent LDA (TDLDA) method is subsequently applied to calculate the dipole photoionization parameters of the endohedral molecule. Cross sections for the photoemission from atom-fullerene hybrid levels show the effects of both C60 plasmon and atomic Coulomb dynamics, as well as the interference between them. At higher energies, the coherence of confinement and cavity oscillations dominates the structures of the spectra. Detailed comparison with the results from Ar@C60, which involves the nearby close-shell atom in the periodic table, provides deeper insights into the role of a single shell-closing electron to noticeably influence the ionization dynamics. The work is supported by the US National Science foundation and the US Department of Energy.

  13. Deposition of conductive TiN shells on SiO2 nanoparticles with a fluidized bed ALD reactor

    NARCIS (Netherlands)

    Didden, A.; Hillebrand, P.; Wollgarten, M.; Dam, B.; Van de Krol, R.

    2016-01-01

    Conductive TiN shells have been deposited on SiO2 nanoparticles (10–20 nm primary particle size) with fluidized bed atomic layer deposition using TDMAT and NH3 as precursors. Analysis of the powders confirms that shell growth saturates at approximately 0.4 nm/cycle at TDMAT doses of >1.2 mmol/g of

  14. A novel approach for the preparation of PMMA-PDMS core-shell particles with PDMS in the shell

    Energy Technology Data Exchange (ETDEWEB)

    Deng Xiaobo [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China); Liu Bailing [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China)]. E-mail: blliuchem@hotmail.com; Cao Shunsheng [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China); Luo Rong [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China); Chen Hualin [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China)

    2007-03-30

    The core/shell particles consisting of polymethyl methacrylate (PMMA) core and polydimethylsiloxane (PDMS) shell via 3-(methacryloxypropyl)-trimethoxysilane (MPS) as the medium to link the core and shell were prepared in our present study by successive seeding polymerization under kinetically controlled conditions and were characterized by FT-IR, particle size analyzer, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). The picture of optical microscope showed the clear form of PDMS-0 and PDMS-40 (the content of PDMS in the particles), which approached to monodispersed distribution. Compared with the PMMA microspheres, PDMS-40 presented an evident core/shell structure through the observation of TEM. Additionally, the study of XPS revealed that PDMS could be grafted onto the surface of PMMA particles and the atomic ratio of C/Si on the surface of PDMS-40 was very close to the ratio of C/Si in the molecule of PDMS. The surface properties of the films produced from the core/shell microspheres also were investigated by contact angle method, contrast with the homopolymer of PMMA, the core/shell particles were more effective to form hydrophobic surface and the water repellency on the surface would be better than that of PMMA.

  15. HST/ACS observations of shell galaxies: inner shells, shell colours and dust

    Science.gov (United States)

    Sikkema, G.; Carter, D.; Peletier, R. F.; Balcells, M.; Del Burgo, C.; Valentijn, E. A.

    2007-06-01

    Context: Shells in Elliptical Galaxies are faint, sharp-edged features, believed to provide evidence for a merger event. Accurate photometry at high spatial resolution is needed to learn on presence of inner shells, population properties of shells, and dust in shell galaxies. Aims: Learn more about the origin of shells and dust in early type galaxies. Methods: V-I colours of shells and underlying galaxies are derived, using HST Advanced Camera for Surveys (ACS) data. A galaxy model is made locally in wedges and subtracted to determine shell profiles and colours. We applied Voronoi binning to our data to get smoothed colour maps of the galaxies. Comparison with N-body simulations from the literature gives more insight to the origin of the shell features. Shell positions and dust characteristics are inferred from model galaxy subtracted images. Results: The ACS images reveal shells well within the effective radius in some galaxies (at 0.24 re = 1.7 kpc in the case of NGC 5982). In some cases, strong nuclear dust patches prevent detection of inner shells. Most shells have colours which are similar to the underlying galaxy. Some inner shells are redder than the galaxy. All six shell galaxies show out of dynamical equilibrium dust features, like lanes or patches, in their central regions. Our detection rate for dust in the shell ellipticals is greater than that found from HST archive data for a sample of normal early-type galaxies, at the 95% confidence level. Conclusions: The merger model describes better the shell distributions and morphologies than the interaction model. Red shell colours are most likely due to the presence of dust and/or older stellar populations. The high prevalence and out of dynamical equilibrium morphologies of the central dust features point towards external influences being responsible for visible dust features in early type shell galaxies. Inner shells are able to manifest themselves in relatively old shell systems. Based on observations made

  16. Hirshfeld atom refinement

    Directory of Open Access Journals (Sweden)

    Silvia C. Capelli

    2014-09-01

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

  17. Spectroscopie de l'atome d'hydrogène. Vers une mesure absolue de la fréquence de la transition 1S-3S.

    OpenAIRE

    Hagel, Gaëtan

    2001-01-01

    The subject of this thesis is the 1S-3S two-photons transition frequency measurement in hydrogen. For that one needs a 205 nm radiation obtained from a titane-sapphire laser by two frequency doubling steps.The chapter 1 of this thesis deals with the scectroscopy of the hydrogen atom since the last twenty years. In the chapters 3 and 4 the experimental set-up is described in details. One can see in these parts that one of the important point of the work was devoted to the rise-up of the signal...

  18. 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.

  19. Au@MoS2 Core-Shell Heterostructures with Strong Light-Matter Interactions.

    Science.gov (United States)

    Li, Yuan; Cain, Jeffrey D; Hanson, Eve D; Murthy, Akshay A; Hao, Shiqiang; Shi, Fengyuan; Li, Qianqian; Wolverton, Chris; Chen, Xinqi; Dravid, Vinayak P

    2016-12-14

    There are emerging opportunities to harness diverse and complex geometric architectures based on nominal two-dimensional atomically layered structures. Herein we report synthesis and properties of a new core-shell heterostructure, termed Au@MoS2, where the Au nanoparticle is snugly and contiguously encapsulated by few shells of MoS2 atomic layers. The heterostructures were synthesized by direct growth of multilayer fullerene-like MoS2 shell on Au nanoparticle cores. The Au@MoS2 heterostructures exhibit interesting light-matter interactions due to the structural curvature of MoS2 shell and the plasmonic effect from the underlying Au nanoparticle core. We observed significantly enhanced Raman scattering and photoluminescence emission on these heterostructures. We attribute these enhancements to the surface plasmon-induced electric field, which simulations show to mainly localize within the MoS2 shell. We also found potential evidence for the charge transfer-induced doping effect on the MoS2 shell. The DFT calculations further reveal that the structural curvature of MoS2 shell results in a modification of its electronic structure, which may facilitate the charge transfer from MoS2 to Au. Such Au@MoS2 core-shell heterostructures have the potential for future optoelectronic devices, optical imaging, and other energy-environmental applications.

  20. Density, size structure, shell orientation and epibiontic colonization of the fan mussel Pinna nobilis L. 1758 (Mollusca: Bivalvia in three contrasting habitats in an estuarine area of Sardinia (W Mediterranean

    Directory of Open Access Journals (Sweden)

    Piero Addis

    2009-03-01

    Full Text Available We investigated the spatial distribution, size structure, shell orientation and valve colonization by epibionts of the endangered Mediterranean bivalve Pinna nobilis in three continuous but different habitats in the Gulf of Oristano (Sardinia, western Mediterranean. The sampling stations chosen were: an estuarine area (E of coastal salt-marshes characterized by unvegetated sea-bottoms; and two areas in a seagrass meadow characterized by an extensive Posidonia oceanica meadow (Mw and patched mixed meadows of P. oceanica and Cymodocea nodosa (Me. We found significant differences in mean densities among stations and the highest value was found in the estuarine area. Shell orientation showed that there was uniform circular distribution of specimens in the Mw station and a unimodal distribution in the Me and E stations, where specimens were set at 0°N and 10°NNE, which is a pattern related to sea drift. Shell epibiosis displayed differences between habitats. The highest valve colonization was in the estuary, with filamentous dark algae and Ostrea edulis reaching almost 90 percent of shell coverage. This study provides new information on habitat preferences and data for assessing local populations of P. nobilis that is useful for its conservation and improving the knowledge of its ecology.

  1. An extension of the Eisberg-Resnick treatment for electron energies in many-electron atoms

    Science.gov (United States)

    Whitaker, M. A. B.; Bennett, I.

    1989-03-01

    Eisberg and Resnick present a simple argument for the energy of an electron in a multielectron atom using the concept of shielding from electrons in inner shells. The results of such a treatment are unfortunately confined so as to be out of range of experimental values. Here, the effect of electrons in outer shells is included, and, in the nonrelativistic region, energies are obtained for electrons in the first and second shells in reasonable agreement with experiment.

  2. Double-shell target fabrication workshop-2016 report

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y. Morris [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Oertel, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Farrell, Michael [General Atomics, San Diego, CA (United States); Baumann, Ted [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Huang, Haibo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Nikroo, Abbas [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-01-10

    On June 30, 2016, over 40 representatives from Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), General Atomics (GA), Laboratory for Laser Energetics (LLE), Schafer Corporation, and NNSA headquarter attended a double-shell (DS) target fabrication workshop at Livermore, California. Pushered-single-shell (PSS) and DS metalgas platforms potentially have a large impact on programmatic applications. The goal of this focused workshop is to bring together target fabrication scientists, physicists, and designers to brainstorm future PSS and DS target fabrication needs and strategies. This one-day workshop intends to give an overall view of historical information, recent approaches, and future research activities at each participating organization. Five topical areas have been discussed that are vital to the success of future DS target fabrications, including inner metal shells, foam spheres, outer ablators, fill tube assembly, and metrology.

  3. De l'atome au noyau une approche historique de la physique atomique et de la physique nucléaire

    CERN Document Server

    Fernandez, Bernard

    2018-01-01

    Retracer l'histoire de la physique nucléaire. Sans jargon scientifique ni formules mathématiques, il s'adresse à la fois aux lecteurs spécialisés, et à l'honnête homme.Une idée-force du livre est que jamais la théorie ne doit s'affranchir de la réalité expérimentale.

  4. Multi-Shell Shell Model for Heavy Nuclei

    OpenAIRE

    Sun, Yang; Wu, Cheng-Li

    2003-01-01

    Performing a shell model calculation for heavy nuclei has been a long-standing problem in nuclear physics. Here we propose one possible solution. The central idea of this proposal is to take the advantages of two existing models, the Projected Shell Model (PSM) and the Fermion Dynamical Symmetry Model (FDSM), to construct a multi-shell shell model. The PSM is an efficient method of coupling quasi-particle excitations to the high-spin rotational motion, whereas the FDSM contains a successful t...

  5. Structural synergy in a core-shell spin crossover nanoparticle investigated by an electroelastic model

    Science.gov (United States)

    Slimani, Ahmed; Khemakhem, Hamadi; Boukheddaden, Kamel

    2017-05-01

    Understanding how surrounding environments act on the functional properties of switchable nano-objects across extended and multiple length scales is of growing interest in many areas of material science. Here, we examine in details, using a microscopic model, the interplay between the structural properties of an inert shell and a spin-active spin-crossover (SCO) core, composed of atoms which can switch thermally between the low-spin (LS) and high-spin (HS) states, a transition which is accompanied with a volume expansion. To come closer to realistic experimental data, we considered a shell having the lattice parameter of the HS state. Intensive Monte Carlo simulations, running on the spin states and atomic positions, are performed on the core-shell spin-crossover nanoparticle using an electroelastic model based on a compressible 2D lattice. A detailed analysis of the effect of the shell's size and rigidity on the magnetostructural properties of the core allows us to address the following issues: (i) the heteroelastic properties of the lattice induce a spatially inhomogeneous pressure (negative in the shell and positive in the core) which strongly distorts the lattice when the core is in the LS state, creating a visible spatial deflection of the shell/core interface; (ii) the thermally-induced first-order SCO transition of the core is significantly affected by the increase of the shell size, which lowers the transition temperature and reduces the thermal hysteresis width; (iii) the shell's rigidity dependence of the thermal hysteresis of the nanoparticle exhibited a resonance behavior when the shell's rigidity equals that of the core, a feature that is analyzed on the basis of acoustic impedance mismatch between the core and the shell. All these outcomes reflect the crucial influence of the surrounding environment on the structural properties of the nanoparticle and provide potentialities in the control of the bistability and cooperativity of the SCO nanoparticles

  6. Uniform double-walled polymer microspheres of controllable shell thickness.

    Science.gov (United States)

    Berkland, Cory; Pollauf, Emily; Pack, Daniel W; Kim, Kyekyoon

    2004-04-16

    A method for fabricating uniform double-walled microspheres with controllable size and shell thickness has been developed. The method, based on previous work to fabricate uniform microspheres, employs multiple concentric nozzles to produce a smooth coaxial jet comprising an annular shell and core material, which is acoustically excited to break up into uniform core-shell droplets. The orientation of the jets, material flow rates, and rate of solvent extraction are controlled to create uniform and well-centered "double-walled" microspheres exhibiting a controllable shell thickness. Double-walled microspheres were fabricated with different arrangements of bulk-eroding poly(D,L-lactide-co-glycolide) (PLG) and surface-eroding poly[(1,6-bis-carboxyphenoxy) hexane] (PCPH). Variation of the fabrication parameters allowed complete encapsulation by the shell phase, including the efficient formation of a PCPH shell encapsulating a PLG core. Utilizing this technology, double-walled microsphere shell thickness can be varied from core encapsulation for double-walled microspheres near 50 microm in overall diameter.

  7. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

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

  8. Wrinkling of Pressurized Elastic Shells

    Science.gov (United States)

    Vella, Dominic; Ajdari, Amin; Vaziri, Ashkan; Boudaoud, Arezki

    2011-10-01

    We study the formation of localized structures formed by the point loading of an internally pressurized elastic shell. While unpressurized shells (such as a ping-pong ball) buckle into polygonal structures, we show that pressurized shells are subject to a wrinkling instability. We study wrinkling in depth, presenting scaling laws for the critical indentation at which wrinkling occurs and the number of wrinkles formed in terms of the internal pressurization and material properties of the shell. These results are validated by numerical simulations. We show that the evolution of the wrinkle length with increasing indentation can be understood for highly pressurized shells from membrane theory. These results suggest that the position and number of wrinkles may be used in combination to give simple methods for the estimation of the mechanical properties of highly pressurized shells.

  9. Wrinkling of Pressurized Elastic Shells

    KAUST Repository

    Vella, Dominic

    2011-10-01

    We study the formation of localized structures formed by the point loading of an internally pressurized elastic shell. While unpressurized shells (such as a ping-pong ball) buckle into polygonal structures, we show that pressurized shells are subject to a wrinkling instability. We study wrinkling in depth, presenting scaling laws for the critical indentation at which wrinkling occurs and the number of wrinkles formed in terms of the internal pressurization and material properties of the shell. These results are validated by numerical simulations. We show that the evolution of the wrinkle length with increasing indentation can be understood for highly pressurized shells from membrane theory. These results suggest that the position and number of wrinkles may be used in combination to give simple methods for the estimation of the mechanical properties of highly pressurized shells. © 2011 American Physical Society.

  10. Influence of Ni doping on PtNi nanoparticles: Synthesis, electronic/atomic structure and photocatalyst investigations

    Science.gov (United States)

    Varshney, Mayora; Sharma, Aditya; Shin, Hyun-Joon; Lee, Hyun Hwi; Jeon, Tae-Yeol; Lee, Byeong-Hyeon; Chae, Keun-Hwa; Won, Sung Ok

    2017-11-01

    Carbon-supported Pt and PtNi nanoparticles (NPs) were synthesized using a borohydride reduction method. Structural properties were studied by synchrotron X-ray diffraction (XRD) and the size/shape of the NPs was determined by transmission electron microscope (TEM). X-ray absorption spectroscopy with its two amendments; X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), has been employed to investigate the local electronic/atomic structure surrounding the Pt and Ni atoms. XANES results, at Pt L3-edge and Ni K-edge, have shown fractional oxidation of Pt and Ni atoms. The Pt3Ni1NPs have exhibited a lower bond distance of Pt-Ni shell and higher coordination number of Pt-Ni shells, indicating the alloy formation between Pt and Ni. We further have demonstrated that the Pt and PtNi NPs can serve as effective photocatalysts towards the degradation of water pollutant dye (methyl orange (MO)). By considering the interband charge-transfer of Pt (5d →6sp), a tentative mechanism is proposed to understand the photocatalytic degradation of MO dye molecules by Pt/PtNi NPs under the light irradiation.

  11. Report realized on behalf of the Foreign Affairs Commission, of Defense and Armed Forces on the law project allowing the additional protocol ratification to the agreement between France, European Community of the atomic energy and the International Atomic Energy Agency relative to the guaranties application in France; Rapport fait au nom de la commission des affaires etrangeres, de la defense et des forces armees sur le projet de loi autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en France

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    In a first part the author presents the International Atomic Energy Agency and its missions in the nuclear non proliferation policy especially in the agreements with the states of the TNP (Treaty of Nuclear non Proliferation). the today position of France is then analyzed towards the IAEA and the novations added by the additional protocol. (A.L.B.)

  12. Performances evaluation of the PHARAO atomic fountain: participation to the study of the PHARAO space clock; Evaluation des performances de la fontaine atomique PHARAO, participation a l'etude de l'horloge spatiale PHARAO

    Energy Technology Data Exchange (ETDEWEB)

    Abgrall, M

    2003-01-01

    The performances of an atomic frequency standard depend drastically on the observation time of the atoms. The interrogation of laser cooled atoms allows to obtain about half a second interaction time in a fountain geometry. This duration could be much more varied in absence of gravity, and would allow a better trade-off between stability and accuracy. The application of this principle is the aim of the PHARAO project, that should attend to the ACES mission planned in 2006 onboard the International Space Station. The first part of this thesis deals with the cold Cs{sup 133} PHARAO fountain. This clock stems from the transformation of a space clock prototype previously tested in microgravity. A detailed evaluation of the whole frequency shifts has been carried out, reaching a 7.7 10{sup -16} accuracy and a 1.7 10{sup -13}{tau}{sup -1/2} short term stability. These values are obtained for 4 10{sup 5} detected atoms, that provides a good stability-accuracy trade-off. This transportable fountain, built at BNM-SYRTE, has been operating at MPQ in Munich (Germany). The collaboration between the 2 laboratories gave a {approx} 10 improvement factor on the measurement accuracy (1.8 10{sup -14}) for the 1S - 2S two photons hydrogen transition. In a second part of this thesis, we present the characterisation of 2 elements of the PHARAO space clock: the construction of a standard extended cavity laser and the test of the phase symmetry between the two interrogating areas of the space cavity. (author)

  13. Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S statesa2

    Science.gov (United States)

    Koch, Volker; Andrae, Dirk

    2013-07-01

    We present static electric dipole polarizabilities α d( Z,N) from numerical nonrelativistic restricted Hartree-Fock (RHF) finite-field calculations for high-spin open-shell S states ( L = 0) of atoms and isoelectronic ions with N ≤ 55 electrons. All these S states result from one or more half-filled shells. For eight isoelectronic sequences, those with N = 3, 7, 11, 15, 23, 29, 33 or 41 electrons where the electronic ground state of the neutral or nearly neutral members is conserved upon increase of the nuclear charge number Z, polarizability data are given for ions with charge number Q = Z - N up to Q = 90. In addition, these data are represented in terms of rational functions of Q (with absolute value of the relative error of the fit always below 4%). The rational functions are comparable to the classical nonrelativistic result α d( Z,1) = 4.5 / Z 4 = 4.5 / ( Q + 1)4 for the polarizability of the 2S ground state of a hydrogen-like system. Our results also contribute to constitute a reference database (i) for algebraic approaches relying on basis functions, and (ii) for the discussion of relativistic and correlation effects on polarizabilities along isoelectronic sequences.

  14. Plate shell structures of glass

    DEFF Research Database (Denmark)

    Bagger, Anne

    to their curved shape. A plate shell structure maintains a high stiffness-to-weight ratio, while facilitating the use of plane structural elements. The study focuses on using laminated glass panes for the load bearing facets. Various methods of generating a plate shell geometry are suggested. Together with Ghent......, such as facet size, imperfections, and connection characteristics. The critical load is compared to that of a similar, but smoothly curved, shell structure. Based on the investigations throughout the study, a set of guidelines for the structural design of plate shells of glass is proposed....

  15. Stability Landscape of Shell Buckling

    Science.gov (United States)

    Virot, Emmanuel; Kreilos, Tobias; Schneider, Tobias M.; Rubinstein, Shmuel M.

    2017-12-01

    We measure the response of cylindrical shells to poking and identify a stability landscape, which fully characterizes the stability of perfect shells and imperfect ones in the case where a single defect dominates. We show that the landscape of stability is independent of the loading protocol and the poker geometry. Our results suggest that the complex stability of shells reduces to a low dimensional description. Tracking ridges and valleys of this landscape defines a natural phase-space coordinates for describing the stability of shells.

  16. Automated shell theory for rotating structures (ASTROS)

    Science.gov (United States)

    Foster, B. J.; Thomas, J. M.

    1971-01-01

    A computer program for analyzing axisymmetric shells with inertial forces caused by rotation about the shell axis is developed by revising the STARS II shell program. The basic capabilities of the STARS II shell program, such as the treatment of the branched shells, stiffened wall construction, and thermal gradients, are retained.

  17. Spatially resolved Raman spectroscopy on indium-catalyzed core-shell germanium nanowires: size effects

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Y; Zardo, I; Garma, T; Heiss, M; Fontcuberta i Morral, A [Walter Schottky Institut, Physik Department, Technische Universitaet Muenchen, Am Coulombwall 3, D-85748 Garching (Germany); Cao, L Y; Brongersma, M L [Geballe Laboratory for Advanced Materials, 476 Lomita Mall, Stanford University, Stanford, CA 94305 (United States); Morante, J R; Arbiol, J [Departament d' Electronica, Universitat de Barcelona, 08028 Barcelona, CAT (Spain)

    2010-03-12

    The structure of indium-catalyzed germanium nanowires is investigated by atomic force microscopy, scanning confocal Raman spectroscopy and transmission electron microscopy. The nanowires are formed by a crystalline core and an amorphous shell. We find that the diameter of the crystalline core varies along the nanowire, down to few nanometers. Phonon confinement effects are observed in the regions where the crystalline region is the thinnest. The results are consistent with the thermally insulating behavior of the core-shell nanowires.

  18. Surfactant-directed synthesis of branched bismuth telluride/sulfide core/shell nanorods.

    Science.gov (United States)

    Purkayastha, Arup; Yan, Qingyu; Raghuveer, Makala S; Gandhi, Darshan D; Li, Huafang; Liu, Zhong W; Ramanujan, Raju V; Borca-Tasciuc, Theodorian; Ramanath, Ganapathiraman

    2008-07-17

    Branched core/shell bismuth telluride/bismuth sulfide nanorod heterostructures are prepared by using a biomimetic surfactant, L-glutathionic acid. Trigonal nanocrystals of bismuth telluride are encapsulated by nanoscopic shells of orthorhombic bismuth sulfide. Crystallographic twinning causes shell branching. Such heteronanostructures are attractive for thermoelectric power generation and cooling applications. Copyright © 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Preparation and characterization of antibacterial Au/C core-shell composite

    Energy Technology Data Exchange (ETDEWEB)

    Gao Yanhong [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China); Centers for Disease Control and Prevention of Guangdong Province, Guangzhou 510300, Guangdong (China); Zhang Nianchun [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China); Zhong Yuwen [Centers for Disease Control and Prevention of Guangdong Province, Guangzhou 510300, Guangdong (China); Cai Huaihong [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China); Liu Yingliang, E-mail: tliuyl@jnu.edu.cn [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China)

    2010-09-01

    An environment-friendly oxidation-reduction method was used to prepare Au/C core-shell composite using carbon as core and gold as shell. The chemical structures and morphologies of Au/C core-shell composite and carbon sphere were characterized by X-ray diffraction, transmission electron microscope, energy dispersion X-ray spectrometry (EDS) and X-ray photoelectron spectroscopy (XPS). The antibacterial properties of the Au/C core-shell composite against Escherichia coli (E. coli), Staphylococcus aureus (S. aureus) and Candida albicans (C. albicans) were examined by the disk diffusion assay and minimal inhibition concentration (MIC) methods. In addition, antibacterial ability of Au/C core-shell composite was observed by atomic force microscope. Results demonstrated that gold homogeneously supported on the surface of carbon spheres without aggregation and showed efficient antibacterial abilities.

  20. Biomechanics of turtle shells: how whole shells fail in compression.

    Science.gov (United States)

    Magwene, Paul M; Socha, John J

    2013-02-01

    Turtle shells are a form of armor that provides varying degrees of protection against predation. Although this function of the shell as armor is widely appreciated, the mechanical limits of protection and the modes of failure when subjected to breaking stresses have not been well explored. We studied the mechanical properties of whole shells and of isolated bony tissues and sutures in four species of turtles (Trachemys scripta, Malaclemys terrapin, Chrysemys picta, and Terrapene carolina) using a combination of structural and mechanical tests. Structural properties were evaluated by subjecting whole shells to compressive and point loads in order to quantify maximum load, work to failure, and relative shell deformations. The mechanical properties of bone and sutures from the plastral region of the shell were evaluated using three-point bending experiments. Analysis of whole shell structural properties suggests that small shells undergo relatively greater deformations before failure than do large shells and similar amounts of energy are required to induce failure under both point and compressive loads. Location of failures occurred far more often at sulci than at sutures (representing the margins of the epidermal scutes and the underlying bones, respectively), suggesting that the small grooves in the bone created by the sulci introduce zones of weakness in the shell. Values for bending strength, ultimate bending strain, Young's modulus, and energy absorption, calculated from the three-point bending data, indicate that sutures are relatively weaker than the surrounding bone, but are able to absorb similar amounts of energy due to higher ultimate strain values. Copyright © 2012 Wiley Periodicals, Inc.

  1. Structural and Spectroscopic Characterization of PM 597 Dye-Silica Core-Shell Nanoparticles

    OpenAIRE

    Al-Biladi, Tahani R.; Al Dwayyan, A. S.; M. Naziruddin Khan; Saif M. H. Qaid; Khalid Al Zahrani

    2015-01-01

    Nanostructured fluorescent pyrromethene (PM) doped-silica core-shell particles were successfully prepared by Stöber process. The average size of the particles was in the range of 10–20 nm measured by TEM micrograph. The atomic structure and morphology of PM 597/SiO2 core/shell nanoparticles were studied by AFM and SEM, respectively. Absorption and emission spectra of the PM 597/SiO2 core/shell nanoparticles under the UV irradiation were studied and not significantly influenced at the position...

  2. "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…

  3. Gravity balanced compliant shell mechanisms

    NARCIS (Netherlands)

    Radaelli, G.; Herder, J.L.

    2017-01-01

    The research on compliant shell mechanisms is a new and promising expansion of the well established compliant mechanisms research area. Benefits of compliant shell mechanisms include being spatial and slender, having organic shapes and their high tailorability of the load-displacement response.

  4. Core-shell nanostructured catalysts.

    Science.gov (United States)

    Zhang, Qiao; Lee, Ilkeun; Joo, Ji Bong; Zaera, Francisco; Yin, Yadong

    2013-08-20

    Novel nanotechnologies have allowed great improvements in the syn-thesis of catalysts with well-controlled size, shape, and surface properties. Transition metal nanostructures with specific sizes and shapes, for instance, have shown great promise as catalysts with high selectivities and relative ease of recycling. Researchers have already demonstrated new selective catalysis with solution-dispersed or supported-metal nanocatalysts, in some cases applied to new types of reactions. Several challenges remain, however, particularly in improving the structural stability of the catalytic active phase. Core-shell nanostructures are nanoparticles encapsulated and protected by an outer shell that isolates the nanoparticles and prevents their migration and coalescence during the catalytic reactions. The synthesis and characterization of effective core-shell catalysts has been at the center of our research efforts and is the focus of this Account. Efficient core-shell catalysts require porous shells that allow free access of chemical species from the outside to the surface of nanocatalysts. For this purpose, we have developed a surface-protected etching process to prepare mesoporous silica and titania shells with controllable porosity. In certain cases, we can tune catalytic reaction rates by adjusting the porosity of the outer shell. We also designed and successfully applied a silica-protected calcination method to prepare crystalline shells with high surface area, using anatase titania as a model system. We achieved a high degree of control over the crystallinity and porosity of the anatase shells, allowing for the systematic optimization of their photocatalytic activity. Core-shell nanostructures also provide a great opportunity for controlling the interaction among the different components in ways that might boost structural stability or catalytic activity. For example, we fabricated a SiO₂/Au/N-doped TiO₂ core-shell photocatalyst with a sandwich structure that showed

  5. Microcapsules with protein fibril reinforced shells: effect of fibril properties on mechanical strength of the shell.

    Science.gov (United States)

    Humblet-Hua, Nam-Phuong K; van der Linden, Erik; Sagis, Leonard M C

    2012-09-19

    In this study, we produced microcapsules using layer-by-layer adsorption of food-grade polyelectrolytes on an emulsion droplet template. We compared the mechanical stability of microcapsules to shells consisting of alternating layers of ovalbumin-high methoxyl pectin (Ova-HMP) complexes and semi-flexible ovalbumin (Ova) fibrils (average contour length, L(c) ~ 200 nm), with microcapsules built of alternating layers of lysozyme-high methoxyl pectin (LYS-HMP) complexes and lysozyme (LYS) fibrils. Two types of LYS fibrils were used: short and rod-like (L(c) ~ 500 nm) and long and semi-flexible (L(c) = 1.2-1.5 μm). At a low number of layers (≤4), microcapsules from Ova complexes and fibrils were stronger than microcapsules prepared from LYS complexes and fibrils. With an increase of the number of layers, the mechanical stability of microcapsules from LYS-HMP/LYS fibrils increased significantly and capsules were stronger than those prepared from Ova-HMP/Ova fibrils with the same number of layers. The contour length of the LYS fibrils did not have a significant effect on mechanical stability of the LYS-HMP/LYS fibril capsules. The stiffer LYS fibrils produce capsules with a hard but more brittle shell, whereas the semi-flexible Ova fibrils produce capsules with a softer but more stretchable shell. These results show that mechanical properties of this type of capsule can be tuned by varying the flexibility of the protein fibrils.

  6. Contribution of high-nl shells to electron-impact ionization processes

    CERN Document Server

    Jonauskas, V; Merkelis, G; Gaigalas, G; Kisielius, R; Kučas, S; Masys, Š; Radžiūtė, L; Rynkun, P

    2015-01-01

    The contribution to electron-impact ionization cross sections from excitations to high-nl shells and a consequent autoionization is investigated. We perform relativistic subconfiguration-average and detailed level-to-level calculations for this process. Ionization cross sections for the W27+ ion are presented to illustrate the large influence of the high shells (n >= 9) and orbitals (l >= 4) in the excitation-autoionization process. The obtained results show that the excitations to the high shells (n >= 9) increase cross sections of the indirect ionization process by a factor of 2 compared to the excitations to the lower shells (n <= 8). The excitations to the shells with orbital quantum number l = 4 give the largest contribution comparedwith the other orbital quantum numbers l. Radiative damping reduces the cross sections of the indirect process approximately twofold in the case of the level-to-level calculations. Determined data show that the excitation-autoionization process contributes approximately 40...

  7. Excitation Potentials and Shell Corrections for the Elements Z2=20 to Z2=30

    DEFF Research Database (Denmark)

    Andersen, H.H.; Sørensen, H.; Vadja, P.

    1969-01-01

    Excitation potentials and shell corrections for the elements Z 2=20 to Z2=30 are evaluated from experimental stopping-power data for 5-12-MeV protons and deuterons. Use is made of Walske's K- and L-shell corrections and shell corrections calculated by Bonderup (1967) on the basis of the Thomas-Fe...... are found by means of Bonderup's shell corrections. Within the Z2 interval treated here, it is found that I/Z2 increases with increasing Z2, contrary to the general trend through the periodic system of elements......Excitation potentials and shell corrections for the elements Z 2=20 to Z2=30 are evaluated from experimental stopping-power data for 5-12-MeV protons and deuterons. Use is made of Walske's K- and L-shell corrections and shell corrections calculated by Bonderup (1967) on the basis of the Thomas...

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

    OpenAIRE

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

    2015-01-01

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

  9. Dynamical symmetries of the shell model

    Energy Technology Data Exchange (ETDEWEB)

    Van Isacker, P

    2000-07-01

    The applications of spectrum generating algebras and of dynamical symmetries in the nuclear shell model are many and varied. They stretch back to Wigner's early work on the supermultiplet model and encompass important landmarks in our understanding of the structure of the atomic nucleus such as Racah's SU(2) pairing model and Elliot's SU(3) rotational model. One of the aims of this contribution has been to show the historical importance of the idea of dynamical symmetry in nuclear physics. Another has been to indicate that, in spite of being old, this idea continues to inspire developments that are at the forefront of today's research in nuclear physics. It has been argued in this contribution that the main driving features of nuclear structure can be represented algebraically but at the same time the limitations of the symmetry approach must be recognised. It should be clear that such approach can only account for gross properties and that any detailed description requires more involved numerical calculations of which we have seen many fine examples during this symposium. In this way symmetry techniques can be used as an appropriate starting point for detailed calculations. A noteworthy example of this approach is the pseudo-SU(3) model which starting from its initial symmetry Ansatz has grown into an adequate and powerful description of the nucleus in terms of a truncated shell model. (author)

  10. 1: the atom. 2: radioactivity. 3: man and radiations. 4: the energy. 5: nuclear energy: fusion and fission. 6: the operation of a nuclear reactor. 7: the nuclear fuel cycle; 1: l'atome. 2: la radioactivite. 3: l'homme et les rayonnements. 4: l'energie. 5: l'energie nucleaire: fusion et fission. 6: le fonctionnement d'un reacteur nucleaire. 7: le cycle du combustible nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

    This series of 7 digest booklets present the bases of the nuclear physics and of the nuclear energy: 1 - the atom (structure of matter, chemical elements and isotopes, the four fundamental interactions, nuclear physics); 2 - radioactivity (definition, origins of radioelements, applications of radioactivity); 3 - man and radiations (radiations diversity, biological effects, radioprotection, examples of radiation applications); 4 - energy (energy states, different forms of energy, characteristics); 5 - nuclear energy: fusion and fission (nuclear energy release, thermonuclear fusion, nuclear fission and chain reaction); 6 - operation of a nuclear reactor (nuclear fission, reactor components, reactor types); 7 - nuclear fuel cycle (nuclear fuel preparation, fuel consumption, reprocessing, wastes management). (J.S.)

  11. Composite shell spacecraft seat

    Science.gov (United States)

    Barackman, Victor J. (Inventor); Pulley, John K. (Inventor); Simon, Xavier D. (Inventor); McKee, Sandra D. (Inventor)

    2008-01-01

    A two-part seat (10) providing full body support that is specific for each crew member (30) on an individual basis. The two-part construction for the seat (10) can accommodate many sizes and shapes for crewmembers (30) because it is reconfigurable and therefore reusable for subsequent flights. The first component of the two-part seat construction is a composite shell (12) that surrounds the crewmember's entire body and is generically fitted to their general size in height and weight. The second component of the two-part seat (10) is a cushion (20) that conforms exactly to the specific crewmember's entire body and gives total body support in more complex environment.

  12. Structure and properties of atomic nanoclusters

    CERN Document Server

    Alonso, Julio A

    2005-01-01

    Atomic clusters are the bridge between molecules and the bulk matter. Following two key experiments - the observation of electronic shells in metallic clusters and the discovery of the C60 fullerence - the field of atomic clusters has experienced a rapid growth, and is now considered a mature field. The electrons of the cluster are confined to a small volume, hence, quantum effects are manifested on many properties of the clusters. Another interesting feature is that the properties often change in a non-smooth way as the number of atoms in the cluster increases. This book provides an updated overview of the field, and presents a detailed description of the structure and electronic properties of different types of clusters: Van der Waals clusters, metallic clusters, clusters of ionic materials and network clusters. The assembling of clusters is also considered, since specially stable clusters are expected to play a role in the future design and synthesis of new materials.

  13. Gravitational Wave Detection with Single-Laser Atom Interferometers

    Science.gov (United States)

    Yu, Nan; Tinto, Massimo

    2011-01-01

    A new design for a broadband detector of gravitational radiation relies on two atom interferometers separated by a distance L. In this scheme, only one arm and one laser are used for operating the two atom interferometers. The innovation here involves the fact that the atoms in the atom interferometers are not only considered as perfect test masses, but also as highly stable clocks. Atomic coherence is intrinsically stable, and can be many orders of magnitude more stable than a laser.

  14. On- and off-shell Jost functions and their integral representations

    Indian Academy of Sciences (India)

    The integral representation related to the irregular solution fl(k,r) follows directly from the integral equation for on-shell. Jost solution fl(k,r), while the other integral representation is derived with particular emphasis on the asymptotic behaviour of the regular solution ϕl(k,r). The off-shell Jost function [3] is also determined from ...

  15. Controlling interactions between highly magnetic atoms with Feshbach resonances.

    Science.gov (United States)

    Kotochigova, Svetlana

    2014-09-01

    This paper reviews current experimental and theoretical progress in the study of dipolar quantum gases of ground and meta-stable atoms with a large magnetic moment. We emphasize the anisotropic nature of Feshbach resonances due to coupling to fast-rotating resonant molecular states in ultracold s-wave collisions between magnetic atoms in external magnetic fields. The dramatic differences in the distribution of resonances of magnetic (7)S3 chromium and magnetic lanthanide atoms with a submerged 4f shell and non-zero electron angular momentum is analyzed. We focus on dysprosium and erbium as important experimental advances have been recently made to cool and create quantum-degenerate gases for these atoms. Finally, we describe progress in locating resonances in collisions of meta-stable magnetic atoms in electronic P-states with ground-state atoms, where an interplay between collisional anisotropies and spin-orbit coupling exists.

  16. 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.

  17. Playing pinball with atoms.

    Science.gov (United States)

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

    2009-05-01

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

  18. Nano-fabrication of depth-varying amorphous silicon crescent shell array for light trapping.

    Science.gov (United States)

    Yang, Huan; Li, Ben Q; Jiang, Xinbing; Yu, Wei; Liu, Hongzhong

    2017-12-15

    We report a new structure of depth controllable amorphous silicon (a-Si) crescent shells array, fabricated by the SiO2 monolayer array assisted deposition of a-Si by plasma enhanced chemical vapor deposition and nanosphere lithography, for high-efficiency light trapping applications. The depth of the crescent shell cavity was tailored by selective etching of a-Si layer of the SiO2/a-Si core/shell nanoparticle array with a varied etching time. The morphological changes of the crescent shells were examined by scanning electron microscopy and atomic force microscopy. A simple model is developed to describe the geometrical evolution of the a-Si crescent shells. Spectroscopic measurements and finite difference time domain simulations were conducted to examine the optical performance of the crescent shells. Results show that these nanostructures all have a broadband high efficiency absorption and that the light trapping capability of these crescent shell structures depends on the excitation of depths-regulated optical resonance modes. With an appropriate selection of process parameters, the structure of crescent a-Si shells may be fine-tuned to achieve an optimal light trapping capacity.

  19. Nano-fabrication of depth-varying amorphous silicon crescent shell array for light trapping

    Science.gov (United States)

    Yang, Huan; Li, Ben Q.; Jiang, Xinbing; Yu, Wei; Liu, Hongzhong

    2017-12-01

    We report a new structure of depth controllable amorphous silicon (a-Si) crescent shells array, fabricated by the SiO2 monolayer array assisted deposition of a-Si by plasma enhanced chemical vapor deposition and nanosphere lithography, for high-efficiency light trapping applications. The depth of the crescent shell cavity was tailored by selective etching of a-Si layer of the SiO2/a-Si core/shell nanoparticle array with a varied etching time. The morphological changes of the crescent shells were examined by scanning electron microscopy and atomic force microscopy. A simple model is developed to describe the geometrical evolution of the a-Si crescent shells. Spectroscopic measurements and finite difference time domain simulations were conducted to examine the optical performance of the crescent shells. Results show that these nanostructures all have a broadband high efficiency absorption and that the light trapping capability of these crescent shell structures depends on the excitation of depths-regulated optical resonance modes. With an appropriate selection of process parameters, the structure of crescent a-Si shells may be fine-tuned to achieve an optimal light trapping capacity.

  20. High thermal stability of core-shell structures dominated by negative interface energy.

    Science.gov (United States)

    Zhu, Yong-Fu; Zhao, Ning; Jin, Bo; Zhao, Ming; Jiang, Qing

    2017-03-29

    Nanoscale core/shell structures are of interest in catalysis due to their superior catalytic properties. Here we investigated the thermal stability of the coherent core-shell structures in a thermodynamic way by considering the impact from the core with the bulk melting point Tm(∞) lower or higher than the shell. When a low-Tm(∞) core is adopted, core-shell melting induced by the melting depression of the core does not occur upon heating because of the superheating, although the melting depression of the core can be triggered ultimately by the preferential melting of the high-Tm(∞) shell for small cores. The superheating of the core is contributed by the negative solid-solid interface energy, while the depression is originated from the positive solid-liquid interface energy. Owing to the presence of the negative interface energy, moreover, the low-Tm(∞)-core structure possesses a low difference in thermal expansion between the core and the shell, high activation energy of outward atomic diffusion from the core to shell, and low heat capacity. This result is beneficial for the core-shell structure design for its application in catalysis.

  1. MicroShell Minimalist Shell for Xilinx Microprocessors

    Science.gov (United States)

    Werne, Thomas A.

    2011-01-01

    MicroShell is a lightweight shell environment for engineers and software developers working with embedded microprocessors in Xilinx FPGAs. (MicroShell has also been successfully ported to run on ARM Cortex-M1 microprocessors in Actel ProASIC3 FPGAs, but without project-integration support.) Micro Shell decreases the time spent performing initial tests of field-programmable gate array (FPGA) designs, simplifies running customizable one-time-only experiments, and provides a familiar-feeling command-line interface. The program comes with a collection of useful functions and enables the designer to add an unlimited number of custom commands, which are callable from the command-line. The commands are parameterizable (using the C-based command-line parameter idiom), so the designer can use one function to exercise hardware with different values. Also, since many hardware peripherals instantiated in FPGAs have reasonably simple register-mapped I/O interfaces, the engineer can edit and view hardware parameter settings at any time without stopping the processor. MicroShell comes with a set of support scripts that interface seamlessly with Xilinx's EDK tool. Adding an instance of MicroShell to a project is as simple as marking a check box in a library configuration dialog box and specifying a software project directory. The support scripts then examine the hardware design, build design-specific functions, conditionally include processor-specific functions, and complete the compilation process. For code-size constrained designs, most of the stock functionality can be excluded from the compiled library. When all of the configurable options are removed from the binary, MicroShell has an unoptimized memory footprint of about 4.8 kB and a size-optimized footprint of about 2.3 kB. Since MicroShell allows unfettered access to all processor-accessible memory locations, it is possible to perform live patching on a running system. This can be useful, for instance, if a bug is

  2. Synthesis of metal-semiconductor core-shell nanoparticles using electrochemical surface-limited reactions.

    Science.gov (United States)

    Gu, Chaokang; Xu, Hui; Park, Minseo; Shannon, Curtis

    2009-01-06

    We report the synthesis of Au/CuI and Au/CdS core-shell nanoparticle (NP) thin films using codeposition and electrochemical atomic layer deposition (EC-ALD). Au nanoparticle films were prepared on glassy carbon supports by depositing alternating layers of poly(diallyl dimethylammonium)-stabilized Au nanoparticles and CoP(2)W(17)O(61)(8-) polyoxometallate interlayers. From there, CuI was deposited onto the surface of Au nanoparticles using electrochemical atomic layer deposition, while CdS films were grown by an atom-by-atom codeposition method. The semiconductor-Au core-shell nanoparticles were characterized by electrochemistry, photoluminescence spectroscopy, and Raman spectroscopy. Our results indicate that the semiconductors deposit onto the AuNP surface by surface limited electrochemical reactions.

  3. Iron oxide/hydroxide nanoparticles with negatively charged shells show increased uptake in Caco-2 cells.

    Science.gov (United States)

    Jahn, Markus R; Nawroth, Thomas; Fütterer, Sören; Wolfrum, Uwe; Kolb, Ute; Langguth, Peter

    2012-06-04

    The absorption of commonly used ferrous iron salts from intestinal segments at neutral to slightly alkaline pH is low, mainly because soluble ferrous iron is easily oxidized to poorly soluble ferric iron and because ferrous iron, but not ferric iron, is carried by the divalent metal transporter DMT-1. Moreover, ferrous iron frequently causes gastrointestinal side effects. Iron hydroxide nanoparticles with neutral and hydrophilic carbohydrate shells are alternatively used to ferrous salts. In these formulations gastrointestinal side effects are rare because hundreds of ferric iron atoms are safely packed in nanoscaled cores surrounded by the solubilizing shell; nevertheless, iron bioavailability is even worse compared to ferrous salts. In this study the cell uptake of iron hydroxide and iron oxide nanoparticles (FeONP) with negatively charged shells of different chemical types and sizes was compared to the uptake of those with neutral hydrophilic shells, ferrous sulfate and ferric chloride. The nanoparticle uptake was measured in Caco-2 cells with the iron detecting ferrozine method and visualized by transmission electron microscopy. The toxicity was evaluated using the MTT assay. For nanoparticles with a negatively charged shell the iron uptake was about 40 times higher compared to those with neutral hydrophilic carbohydrate shell or ferric chloride and in the same range as ferrous sulfate. However, in contrast to ferrous sulfate, nanoparticles with negatively charged shells showed no toxicity. Two different uptake mechanisms were proposed: diffusion for hydroxide nanoparticles with neutral hydrophilic shell and adsorptive endocytosis for nanoparticles with negatively charged shells. It needs to be determined whether iron hydroxide nanoparticles with negatively charged shells also show improved bioavailability in iron-deficient patients compared to iron hydroxide nanoparticles with a neutral hydrophilic shell, which exist in the market today.

  4. Static Analysis of Circular Cylindrical Shell Under Hydrostatic and ...

    African Journals Online (AJOL)

    Analysis of circular cylindrical shell under the action of hydrostatic and stiffening ring forces is carried out in this work. The differential equation of equilibrium, similar to that of beam on elastic foundation, was obtained from static principles on the assumptions of P. L. Pasternak. The initial value method was used to solve the ...

  5. Discontinuity surfaces and event stratigraphy of Okha Shell ...

    Indian Academy of Sciences (India)

    Stratigraphy and Global Studies 68 1093–1108. Juyal N, Pant R K, Bhushan R and Somayajulu B L K. 1995 Radiometric dating of late Quaternary sea levels of the Saurashtra coast, western India: An experiment with oyster and clam shells; Quaternary Environments & Geo- archaeology of India, Essays in honour of Prof.

  6. Control the fear atomic

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-04-15

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

  7. Proximity effects in cold gases of multiply charged atoms (Review)

    Science.gov (United States)

    Chikina, I.; Shikin, V.

    2016-07-01

    Possible proximity effects in gases of cold, multiply charged atoms are discussed. Here we deal with rarefied gases with densities nd of multiply charged (Z ≫ 1) atoms at low temperatures in the well-known Thomas-Fermi (TF) approximation, which can be used to evaluate the statistical properties of single atoms. In order to retain the advantages of the TF formalism, which is successful for symmetric problems, the external boundary conditions accounting for the finiteness of the density of atoms (donors), nd ≠ 0, are also symmetrized (using a spherical Wigner-Seitz cell) and formulated in a standard way that conserves the total charge within the cell. The model shows that at zero temperature in a rarefied gas of multiply charged atoms there is an effective long-range interaction Eproxi(nd), the sign of which depends on the properties of the outer shells of individual atoms. The long-range character of the interaction Eproxi is evaluated by comparing it with the properties of the well-known London dispersive attraction ELond(nd) 0 and for the alkali and alkaline-earth elements Eproxi theory through the temperature dependence of the different versions of Eproxi. The anomaly in the thermal proximity effect shows up in the following way: for T ≠ 0 there is no equilibrium solution of TS statistics for single multiply charged atoms in a vacuum when the effect is present. Instability is suppressed in a Wigner-Seitz model under the assumption that there are no electron fluxes through the outer boundary R3 ∝ n-1d of a Wigner-Seitz cell. Eproxi corresponds to the definition of the correlation energy in a gas of interacting particles. This review is written so as to enable comparison of the results of the TF formalism with the standard assumptions of the correlation theory for classical plasmas. The classic example from work on weak solutions (including charged solutions)—the use of semi-impermeable membranes for studies of osmotic pressure—is highly appropriate for

  8. Capsule shells adulterated with tadalafil.

    Science.gov (United States)

    Venhuis, Bastiaan J; Tan, Jing; Vredenbregt, Marjo J; Ge, Xiaowei; Low, Min-Yong; de Kaste, Dries

    2012-01-10

    Following a health complaint a food supplement was brought in for analysis on the suspicion of being adulterated with a synthetic drug substance. When the capsule content did not show evidence of adulteration, the capsule shell was investigated. Using HPLC-DAD and HPLC-MS the capsule shell was found to contain 2.85 mg of the erectile dysfunction drug tadalafil. Using microscopy and RAMAN spectroscopy the presence of tadalafil was shown throughout the gelatine matrix as particles and dissolved into the matrix. The adulteration is probably carried out by adding tadalafil powder to a gelatine jelly in the manufacturing of the capsules shells. Because this technique may also be used for other drug substances, capsules shells should be considered a vehicle for hiding drug substances in general. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  9. Instant Windows PowerShell

    CERN Document Server

    Menon, Vinith

    2013-01-01

    Get to grips with a new technology, understand what it is and what it can do for you, and then get to work with the most important features and tasks. A practical, hands-on tutorial approach that explores the concepts of PowerShell in a friendly manner, taking an adhoc approach to each topic.If you are an administrator who is new to PowerShell or are looking to get a good grounding in these new features, this book is ideal for you. It's assumed that you will have some experience in PowerShell and Windows Server, as well being familiar with the PowerShell command-line.

  10. Dislocation glide in Ni-Al solid solutions from the atomic scale up: a molecular dynamics study; Etude du glissement des dislocations dans la solution solide Ni-Al par simulation a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Rodary, E

    2003-01-01

    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 {gamma}' phase with L1{sub 2} 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, {sigma}{sub s}, 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, {sigma}{sub d}, The friction coefficient, and the threshold stresses ({sigma}{sub s} and {sigma}{sub d}), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, {sigma}{sub s}, 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)

  11. Stellar populations of shell galaxies

    Science.gov (United States)

    Carlsten, S. G.; Hau, G. K. T.; Zenteno, A.

    2017-12-01

    We present a study of the inner (out to ∼1 Reff) stellar populations of nine shell galaxies. We derive stellar population parameters from long-slit spectra by both analysing the Lick indices of the galaxies and by fitting single stellar population model spectra to the full galaxy spectra. The results from the two methods agree reasonably well. A few of the shell galaxies appear to have lower central Mg2 index values than the general population of galaxies of the same central velocity dispersion, which is possibly due to a past interaction event. Our sample shows a relation between central metallicity and velocity dispersion that is consistent with previous samples of non-shell galaxies. Analysing the metallicity gradients in our sample, we find an average gradient of -0.16 ± 0.10 dex decade-1 in radius. We compare this with formation models to constrain the merging history of shell galaxies. We argue that our galaxies likely have undergone major mergers but it is unclear whether the shells formed from these events or from separate minor mergers. Additionally, we find evidence for young stellar populations ranging in age from 500 Myr to 4-5 Gyr in four of the galaxies, allowing us to speculate on the age of the shells. For NGC 5670, we use a simple dynamical model to find the time required to produce the observed distribution of shells to be roughly consistent with the age of the young subpopulation, suggesting that the shells and subpopulation possibly formed from the same event.

  12. 40 Years of Shell Scenarios

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-02-15

    Shell has been using scenario planning for four decades. During that time these scenarios have helped the company and governments across the world to make better strategic choices. Scenarios provide lenses that help see future prospects more clearly, make richer judgments and be more sensitive to uncertainties. Discover how the Shell Scenarios team has helped guide decision makers at major moments in history and get a peek at the team future focus, including the intricate relationship between energy, water and food.

  13. Selective and sensitive speciation analysis of Cr(VI) and Cr(III), at sub-μgL-1 levels in water samples by electrothermal atomic absorption spectrometry after electromembrane extraction.

    Science.gov (United States)

    Tahmasebi, Zeinab; Davarani, Saied Saeed Hosseiny

    2016-12-01

    In this work, electromembrane extraction in combination with electrothermal atomic absorption spectrometry (ET-AAS) was investigated for speciation, preconcentration and quantification of Cr(VI) and Cr(III) in water samples through the selective complexation of Cr(VI) with 1,5-diphenylcarbazide (DPC) as a complexing agent. DPC reduces Cr(VI) to Cr(III) ions and then Cr(III) species are extracted based on electrokinetic migration of their cationic complex (Cr(III)-DPC) toward the negative electrode placed in the hollow fiber. Also, once oxidized to Cr(VI), Cr(III) ions in initial sample were determined by this procedure. The influence of extraction parameters such as pH, type of organic solvent, chelating agent concentration, stirring rate, extraction time and applied voltage were evaluated following a one-at-a-time optimization approach. Under optimized conditions, the extracted analyte was quantified by ETAAS, with an acceptable linearity in the range of 0.05-5ngmL-1 (R2 value=0.996), and a repeatability (%RSD) between 3.7% and 12.2% (n=4) for 5.0 and 1.0ngmL-1 of Cr(VI), respectively. Also, we obtained an enrichment factor of 110 that corresponded to the recovery of 66%. The detection limit (S/N ratio of 3:1) was 0.02ngmL-1. Finally, this new method was successfully employed to determine Cr(III) and Cr(VI) species in real water samples. Copyright © 2016. Published by Elsevier B.V.

  14. High Fidelity Simulation of Atomization in Diesel Engine Sprays

    Science.gov (United States)

    2015-09-01

    ARL-RP-0555 ● SEP 2015 US Army Research Laboratory High Fidelity Simulation of Atomization in Diesel Engine Sprays by L Bravo...ARL-RP-0555 ● SEP 2015 US Army Research Laboratory High Fidelity Simulation of Atomization in Diesel Engine Sprays by L...Simulation of Atomization in Diesel Engine Sprays 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) L Bravo, CB Ivey, D

  15. Core-shell nanoparticle arrays double the strength of steel.

    Science.gov (United States)

    Seol, J-B; Na, S-H; Gault, B; Kim, J-E; Han, J-C; Park, C-G; Raabe, D

    2017-02-22

    Manipulating structure, defects and composition of a material at the atomic scale for enhancing its physical or mechanical properties is referred to as nanostructuring. Here, by combining advanced microscopy techniques, we unveil how formation of highly regular nano-arrays of nanoparticles doubles the strength of an Fe-based alloy, doped with Ti, Mo, and V, from 500 MPa to 1 GPa, upon prolonged heat treatment. The nanoparticles form at moving heterophase interfaces during cooling from the high-temperature face-centered cubic austenite to the body-centered cubic ferrite phase. We observe MoC and TiC nanoparticles at early precipitation stages as well as core-shell nanoparticles with a Ti-C rich core and a Mo-V rich shell at later precipitation stages. The core-shell structure hampers particle coarsening, enhancing the material's strength. Designing such highly organized metallic core-shell nanoparticle arrays provides a new pathway for developing a wide range of stable nano-architectured engineering metallic alloys with drastically enhanced properties.

  16. Atomic coordination reflects peptide immunogenicity

    Directory of Open Access Journals (Sweden)

    Georgios S.E. Antipas

    2016-01-01

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

  17. Fabrication of Core-Shell Nanotube Array for Artificial Photosynthesis Featuring an Ultrathin Composite Separation Membrane.

    Science.gov (United States)

    Edri, Eran; Aloni, Shaul; Frei, Heinz

    2018-01-23

    Macroscale arrays of cobalt oxide-silica core-shell nanotubes with high aspect ratio and ultrathin walls of less than 20 nm have been fabricated. The silica shells feature embedded oligo-para(phenylenevinylene) molecules for charge transport across the insulating silica layer, which is tightly controlled by their electronic properties. The assembly is based on the use of a sacrificial Si nanorod array template combined with atomic layer deposition, covalent anchoring of organic wire molecules, and dry cryo-etching. High-resolution TEM imaging of samples prepared by microtome affords structural details of single core-shell nanotubes. The integrity of silica-embedded organic wire molecules exposed to atomic layer deposition, thermal treatment, and harsh etching procedures is demonstrated by grazing angle ATR FT-IR, FT-Raman, and XPS spectroscopy. The inorganic oxide-based core-shell nanotubes with ultrathin gas-impermeable, proton-conducting silica shells functionalized by molecular wires enable complete nanoscale photosynthetic units for CO2 reduction by H2O under membrane separation. Arrays of massive numbers of such core-shell nanotube units afford a design that extends the separation of the incompatible H2O oxidation and CO2 reduction catalysis environments across the continuum of length scales from nanometers to centimeters.

  18. Atom-specific surface magnetometry

    Science.gov (United States)

    Sirotti, Fausto; Panaccione, Giancarlo; Rossi, Giorgio

    1995-12-01

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

  19. Isogeometric shell formulation based on a classical shell model

    KAUST Repository

    Niemi, Antti

    2012-09-04

    This paper constitutes the first steps in our work concerning isogeometric shell analysis. An isogeometric shell model of the Reissner-Mindlin type is introduced and a study of its accuracy in the classical pinched cylinder benchmark problem presented. In contrast to earlier works [1,2,3,4], the formulation is based on a shell model where the displacement, strain and stress fields are defined in terms of a curvilinear coordinate system arising from the NURBS description of the shell middle surface. The isogeometric shell formulation is implemented using the PetIGA and igakit software packages developed by the authors. The igakit package is a Python package used to generate NURBS representations of geometries that can be utilised by the PetIGA finite element framework. The latter utilises data structures and routines of the portable, extensible toolkit for scientific computation (PETSc), [5,6]. The current shell implementation is valid for static, linear problems only, but the software package is well suited for future extensions to geometrically and materially nonlinear regime as well as to dynamic problems. The accuracy of the approach in the pinched cylinder benchmark problem and present comparisons against the h-version of the finite element method with bilinear elements. Quadratic, cubic and quartic NURBS discretizations are compared against the isoparametric bilinear discretization introduced in [7]. The results show that the quadratic and cubic NURBS approximations exhibit notably slower convergence under uniform mesh refinement as the thickness decreases but the quartic approximation converges relatively quickly within the standard variational framework. The authors future work is concerned with building an isogeometric finite element method for modelling nonlinear structural response of thin-walled shells undergoing large rigid-body motions. The aim is to use the model in a aeroelastic framework for the simulation of flapping wings.

  20. Acoustic Radiation from Single and Double Ribbed Circular Cylindrical Shells.

    Science.gov (United States)

    1984-03-30

    Repeatability of Acoustic Radiation Measurements - Single Shell with T- haker Vertical ( =00), Single Radial Drive in Middle of Shell and Phone No. 1...LAYER 0 ~10 U LUU ~-40 -50 0 2-34 FRQENY(kz Fiue3. FreLvlItDieShkrwt n ihu trfa LL.l 0’ Lave -- oube Shll ith hakers orA and inge RaialDr,-.-eon he Ji...FORCE IN SHAKER NO.I ’ HAKER LOCATION - ON THE JOINT B,%ND LON𔃻G. DRIVE - OUT OF PH AS E IS THIS THE CORRECT HEADER INFO? Y NORMALIZATION MENU

  1. Adsorption of Direct Red 80 dye from aqueous solution onto almond shells: effect of pH, initial concentration and shell type.

    Science.gov (United States)

    Doulati Ardejani, F; Badii, Kh; Limaee, N Yousefi; Shafaei, S Z; Mirhabibi, A R

    2008-03-01

    The adsorption of Direct Red 80 (DR 80) dye from aqueous solution on almond shells as an eco-friendly and low-cost adsorbent was studied. The effect of shell type (internal, external and mixture shells), pH and initial dye concentration were considered to evaluate the sorption capacity of almond shell adsorbent. The mixture type of almond shell showed to be more effective. The adsorption studies revealed that the mixture type of almond shells remove about 97% of the DR 80 dye from aqueous phase after 1h of the adsorption process in a batch system. Although, pH changes did not appreciably affect the adsorption process but the maximum adsorption capacity of different types of almond shells (20.5, 16.96 and 16.4 mg/g for mixture, external and internal shells) were obtained at pH 2. However, in order to have a better control on the experimental conditions, pH 6 was selected for conducting all adsorption experiments. Initial dye concentration was varied from 50 to 150 mg/L. Higher concentrations of dye in aqueous solution reduced DR 80 dye adsorption efficiency of almond shells. Equilibrium data were attempted by various adsorption isotherms including Langmuir, Freundlich and Brunauer-Emmett-Teller (BET) models. It was found that the adsorption process by mixture type of almond shells follows the Langmuir non-linear isotherm. Furthermore, the experimental data by internal and external almond shells could be well described by the BET and Freundlich isotherm models, respectively. The pseudo-second-order kinetics provides the best correlation of the experimental data.

  2. Mg/Ca of Continental Ostracode Shells

    Science.gov (United States)

    Ito, E.; Forester, R. M.; Marco-Barba, J.; Mezquita, F.

    2007-12-01

    Marine ionic chemistry is thought to remain constant. This, together with the belief that marine calcifiers partition Mg/Ca in a systematic manner as functions of temperature (and Mg/Ca) of water forms the basis of the Mg/Ca thermometer. In continental settings both of these assumptions are usually not true. Continental waters contain a wide variety of solutes in absolute and relative ion concentrations. Hence, waters with identical Mg/Ca may have very different concentrations of Mg and Ca and very different anions. Here we use two examples to focus on the effects of ion chemistry on Mg/Ca partitioning in continental ostracode shells and we ignore the complexities of solute evolution, which can change Mg/Ca over timescales of minutes to millennia. Palacios-Fest and Dettman (2001) conducted a monthly study of ,Cypridopsis vidua at El Yeso Lake in Sonora, Mexico. They established a relation between temperature and average shell Mg/Ca using regression analyses on averaged data. When their Mg/Ca-temperature relation is applied to monthly ,C. vidua data from Page Pond near Cleveland, Ohio, water temperatures of -8 to -1°C are obtained. The observed Mg/Ca ranges for El Yeso Lake (0.31 to 0.46) and Page Pond (0.33 to 0.46) are similar, as are their specific conductivities (700 to 850μS for El Yeso Lake; 400 to 600μS for Page Pond). However, [Ca] is 140-260 mg/L for El Yeso, but only 70-90 mg/L for Page Pond. Page Pond data, in fact, shows a good temperature shell Mg/Ca relation for .C. vidua, but the relation is different from that at El Yeso. Hence, shell Mg/Ca is a multi-valued, family of curves function of temperature and Mg/Ca of water that depends on the [Mg] and [Ca] values in water and perhaps other factors. Our second example comes from sites near Valencia, Spain and involves shell data for ,Cyprideis torosa, an estuarine ostracode that is tolerant of a wide range of salinity and can live in continental waters as long as the carbonate alkalinity to Ca ratio is

  3. Removal of Arsenic with Oyster Shell: Experimental Measurements

    Directory of Open Access Journals (Sweden)

    Md. Atiqur Rahman, , and

    2008-12-01

    Full Text Available Oyster shell has tremendous potential as a remediation material for the removal of arsenic from groundwater. A single arsenic removal system was developed with oyster shell for tube well water containing arsenic. The system removes arsenic from water by adsorption through fine oyster shell. Various conditions that affect the adsorption/desorption of arsenic were investigated. Adsorption column methods showed the removal of As(III under the following conditions: initial As concentration, 100 µg /L; oyster shell amount, 6 g; particle size, <355µm ; treatment flow rate, 1.7 mL/min; and pH 6.5. Arsenic concentration of the treated water were below the Bangladesh drinking water standard of 50 µg/L for As. The desorption efficiencies with 2M of KOH after the treatment of groundwater were in the range of 80-83%. A combination of techniques was used to measure the pH, conductivity, cations and anions. The average concentrations of other inorganic constituents of health concern (Na, K, Ca, Mg and Fe in treated water were below their respective WHO guideline for drinking. The present study might provide new avenues to achieve the arsenic concentrations required for drinking water recommended by Bangladesh and the World Health Organization (WHO.

  4. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-09-01

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

  5. 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...

  6. 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...

  7. Juvenile pen shells (Pinna nobilis) tolerate acidification but are vulnerable to warming, supplement to: Basso, L; Hendriks, Iris; Duarte, Carlos M (2015): Juvenile pen shells (Pinna nobilis) tolerate acidification but are vulnerable to warming. Estuaries and Coasts, 38(6), 1976-1985

    KAUST Repository

    Basso, L

    2016-01-01

    In the course of this century, rising anthropogenic CO2 emissions will likely cause a decrease in ocean pH, know as ocean acidification, together with an increase of water temperature. Only in the last years, studies have focused on synergetic effects of both stressors on marine invertebrates, particularly on early life stages considered more vulnerable. Disparate responses of their singular and combined effects were reported, highlighting the importance of extending the studies to different species and populations of marine invertebrates. Here, we observed the response of important parameters such as growth, mortality and oxygen consumption of juvenile pen shell Pinna nobilis at supplied pCO2 gas levels of 400 ppm (ambient) and 1000 ppm and at three temperatures (20, 23 and 26 °C) during 36 days. To our knowledge, this is the first study on ocean acidification and temperature effects on juveniles of this species. We show that the two stressors play roles at distinct levels, with pCO2 influencing growth and partially mortality, and temperature increasing mortality rates and oxygen consumption strongly. Therefore, juveniles of P. nobilis are more likely affected by increasing temperature than the pCO2 levels expected by the end of the twenty-first century.

  8. Gaussian Curvature as an Identifier of Shell Rigidity

    Science.gov (United States)

    Harutyunyan, Davit

    2017-11-01

    In the paper we deal with shells with non-zero Gaussian curvature. We derive sharp Korn's first (linear geometric rigidity estimate) and second inequalities on that kind of shell for zero or periodic Dirichlet, Neumann, and Robin type boundary conditions. We prove that if the Gaussian curvature is positive, then the optimal constant in the first Korn inequality scales like h, and if the Gaussian curvature is negative, then the Korn constant scales like h 4/3, where h is the thickness of the shell. These results have a classical flavour in continuum mechanics, in particular shell theory. The Korn first inequalities are the linear version of the famous geometric rigidity estimate by Friesecke et al. for plates in Arch Ration Mech Anal 180(2):183-236, 2006 (where they show that the Korn constant in the nonlinear Korn's first inequality scales like h 2), extended to shells with nonzero curvature. We also recover the uniform Korn-Poincaré inequality proven for "boundary-less" shells by Lewicka and Müller in Annales de l'Institute Henri Poincare (C) Non Linear Anal 28(3):443-469, 2011 in the setting of our problem. The new estimates can also be applied to find the scaling law for the critical buckling load of the shell under in-plane loads as well as to derive energy scaling laws in the pre-buckled regime. The exponents 1 and 4/3 in the present work appear for the first time in any sharp geometric rigidity estimate.

  9. Electronic shell and supershell structure in graphene flakes

    CERN Document Server

    Manninen, M; Akola, J

    2008-01-01

    We use a simple tight-binding (TB) model to study electronic properties of free graphene flakes. Valence electrons of triangular graphene flakes show a shell and supershell structure which follows an analytical expression derived from the solution of the wave equation for triangular cavity. However, the solution has different selection rules for triangles with armchair and zigzag edges, and roughly 40000 atoms are needed to see clearly the first supershell oscillation. In the case of spherical flakes, the edge states of the zigzag regions dominate the shell structure which is thus sensitive to the flake diameter and center. A potential well that is made with external gates cannot have true bound states in graphene due to the zero energy band gap. However, it can cause strong resonances in the conduction band.

  10. Buckling and vibration of circular cylindrical shells containing hot liquid

    Science.gov (United States)

    Ganesan, N.; Pradeep, V.

    2005-11-01

    Cylindrical shell filled with hot liquid is analyzed for buckling and vibration behavior using semi-analytical finite element method. A parametric study is conducted on a 316L stainless-steel cylinder filled with hot liquid. The temperature distribution in shell domain is obtained by using axisymmetric eight-node ring finite elements, capable of taking axial variation of temperature into account. Three-node ring elements are used for buckling and vibration analysis, formulated using semi-analytical finite element method. Thermal stress resultants and moment resultants in the shell are estimated and static buckling analysis is carried out to find the buckling temperature of the container for different levels of filling of liquid and for two different boundary conditions. Free vibration analysis carried out by considering initial stress effect and added mass effect due to hot liquid. Two different geometries are considered to study the effect of geometry on buckling temperature.

  11. In Situ Generation of Two-Dimensional Au–Pt Core–Shell Nanoparticle Assemblies

    Directory of Open Access Journals (Sweden)

    Khalid Madiha

    2009-01-01

    Full Text Available Abstract Two-dimensional assemblies of Au–Pt bimetallic nanoparticles are generated in situ on polyethyleneimmine (PEI silane functionalized silicon and indium tin oxide (ITO coated glass surfaces. Atomic force microscopy (AFM, UV–Visible spectroscopy, and electrochemical measurements reveal the formation of core–shell structure with Au as core and Pt as shell. The core–shell structure is further supported by comparing with the corresponding data of Au nanoparticle assemblies. Static contact angle measurements with water show an increase in hydrophilic character due to bimetallic nanoparticle generation on different surfaces. It is further observed that these Au–Pt core–shell bimetallic nanoparticle assemblies are catalytically active towards methanol electro-oxidation, which is the key reaction for direct methanol fuel cells (DMFCs.

  12. Metal shell technology based upon hollow jet instability. [for inertial confinement fusion

    Science.gov (United States)

    Kendall, J. M.; Lee, M. C.; Wang, T. G.

    1982-01-01

    Spherical shells of submillimeter size are sought as ICF targets. Such shells must be dimensionally precise, smooth, of high strength, and composed of a high atomic number material. A technology for the production of shells based upon the hydrodynamic instability of an annular jet of molten metal is described. Shells in the 0.7-2.0 mm size range have been produced using tin as a test material. Specimens exhibit good sphericity, fair concentricity, and excellent finish over most of the surface. Work involving a gold-lead-antimony alloy is in progress. Droplets of this are amorphous and possess superior surface finish. The flow of tin models that of the alloy well; experiments on both metals show that the technique holds considerable promise.

  13. Mass Measurements Demonstrate a Strong N =28 Shell Gap in Argon

    CERN Document Server

    Meisel, Z; Ahn, S; Browne, J; Bazin, D; Brown, B A; Carpino, J F; Chung, H; Cyburt, R H; Estradé, A; Famiano, M; Gade, A; Langer, C; Matoš, M; Mittig, W; Montes, F; Morrissey, D J; Pereira, J; Schatz, H; Schatz, J; Scott, M; Shapira, D; Smith, K; Stevens, J; Tan, W; Tarasov, O; Towers, S; Wimmer, K; Winkelbauer, J R; Yurkon, J; Zegers, R G T

    2015-01-01

    We present results from recent time-of-flight nuclear mass measurements at the National Superconducting Cyclotron Laboratory at Michigan State University. We report the first mass measurements of 48Ar and 49Ar and find atomic mass excesses of -22.28(31) MeV and -17.8(1.1) MeV, respectively. These masses provide strong evidence for the closed shell nature of neutron number N=28 in argon, which is therefore the lowest even-Z element exhibiting the N=28 closed shell. The resulting trend in binding-energy differences, which probes the strength of the N=28 shell, compares favorably with shellmodel calculations in the sd-pf shell using SDPF-U and SDPF-MU Hamiltonians.

  14. Antioxidant and Anti-Adipogenic Activities of Trapa japonica Shell Extract Cultivated in Korea.

    Science.gov (United States)

    Lee, DooJin; Lee, Ok-Hwan; Choi, Geunpyo; Kim, Jong Dai

    2017-12-01

    Trapa japonica shell contains phenolic compounds such as tannins. Studies regarding the antioxidant and anti-adipogenic effects of Trapa japonica shell cultivated in Korea are still unclear. Antioxidant and anti-adipogenic activities were measured by in vitro assays such as 2,2-diphenyl-1-picrylhydrazy (DPPH) radical scavenging activity, 2,2'-azinobis( 3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radical scavenging activity, ferric reducing ability of plasma assay, reducing power, superoxide dismutase-like activity, and iron chelating ability in 3T3-L1 cells. We also measured the total phenol and flavonoids contents (TPC and TFC, respectively) in Trapa japonica shell extract. Our results show that TPC and TFC of Trapa japonica shell extract were 157.7±0.70 mg gallic acid equivalents/g and 25.0±1.95 mg quercetin equivalents/g, respectively. Trapa japonica shell extract showed strong antioxidant activities in a dose-dependent manner in DPPH and ABTS radical scavenging activities and other methods. Especially, the whole antioxidant activity test of Trapa japonica shell extract exhibited higher levels than that of butylated hydroxytoluene as a positive control. Furthermore, Trapa japonica shell extract inhibited lipid accumulation and reactive oxygen species production during the differentiation of 3T3-L1 preadipocytes. Trapa japonica shell extract possessed a significant antioxidant and anti-adipogenic property, which suggests its potential as a natural functional food ingredient.

  15. Comparative analysis of shell color variety and genetic structure among five high-quality freshwater pearl mussel populations.

    Science.gov (United States)

    Wu, L M; Bai, Z Y; Liu, X J; Jin, C; Yin, H; Li, J L

    2016-12-02

    Four Hyriopsis cumingii populations, a breeding population (BP), a cultured population (FP), two wild populations from Poyang Lake (PY) and Dongting Lake (DT), and an H. schlegelii population were collected (JX), and the first filial generations (F1) were bred synchronously. The shell nacre polymorphisms, population genetic diversity, and genetic structures of the F1 of each population were analyzed and compared using CIELAB colorimetric measurements and microsatellite markers. The color parameters of the shell nacre (L*, a*, dE*) in the BP were significantly different from those in the FP, PY, and JX populations (P shell nacre color did not differ significantly between the left and right sides of the shells within the same population (P > 0.05). The BP had relatively darker nacre at the posterior end of the shell, and the color parameters (L*, a*, b*, and dE*) differed significantly from those at the front end (P shell nacre color, with potential for further genetic improvement.

  16. Swimming of a Sea Butterfly with an Elongated Shell

    Science.gov (United States)

    Karakas, Ferhat; Maas, Amy E.; Murphy, David W.

    2017-11-01

    Sea butterflies (pteropods) are small, zooplanktonic marine snails which swim by flapping highly flexible parapodia. Previous studies show that the swimming hydrodynamics of Limacina helicina, a polar pteropod with a spiraled shell, is similar to tiny insect flight aerodynamics and that forward-backward pitching is key for lift generation. However, swimming by diverse pteropod species with different shell shapes has not been examined. We present measurements of the swimming of Cuvierina columnella, a warm water species with an elongated non-spiraled shell collected off the coast of Bermuda. With a body length of 9 mm, wing beat frequency of 4-6 Hz and swimming speed of 35 mm/s, these organisms swim at a Reynolds number of approximately 300, larger than that of L. helicina. High speed 3D kinematics acquired via two orthogonal cameras reveals that the elongated shell correlates with reduced body pitching and that the wings bend approximately 180 degrees in each direction, overlapping at the end of each half-stroke. Time resolved 2D flow measurements collected with a micro-PIV system reveal leading edge vortices present in both power and recovery strokes. Interactions between the overlapping wings and the shell also likely play a role in lift generation.

  17. Dynamic hydration shell restores Kauzmann's 1959 explanation of how the hydrophobic factor drives protein folding

    Science.gov (United States)

    Baldwin, Robert L.

    2014-01-01

    Kauzmann's explanation of how the hydrophobic factor drives protein folding is reexamined. His explanation said that hydrocarbon hydration shells are formed, possibly of clathrate water, and they explain why hydrocarbons have uniquely low solubilities in water. His explanation was not universally accepted because of skepticism about the clathrate hydration shell. A revised version is given here in which a dynamic hydration shell is formed by van der Waals (vdw) attraction, as proposed in 1985 by Jorgensen et al. [Jorgensen WL, Gao J, Ravimohan C (1985) J Phys Chem 89:3470–3473]. The vdw hydration shell is implicit in theories of hydrophobicity that contain the vdw interaction between hydrocarbon C and water O atoms. To test the vdw shell model against the known hydration energetics of alkanes, the energetics should be based on the Ben-Naim standard state (solute transfer between fixed positions in the gas and liquid phases). Then the energetics are proportional to n, the number of water molecules correlated with an alkane by vdw attraction, given by the simulations of Jorgensen et al. The energetics show that the decrease in entropy upon hydration is the root cause of hydrophobicity; it probably results from extensive ordering of water molecules in the vdw shell. The puzzle of how hydrophobic free energy can be proportional to nonpolar surface area when the free energy is unfavorable and the only known interaction (the vdw attraction) is favorable, is resolved by finding that the unfavorable free energy is produced by the vdw shell. PMID:25157156

  18. Closed-shell and open-shell square-planar iridium nitrido complexes

    Science.gov (United States)

    Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven

    2012-07-01

    Coupling reactions of nitrogen atoms represent elementary steps to many important heterogeneously catalysed reactions, such as the Haber-Bosch process or the selective catalytic reduction of NOx to give N2. For molecular nitrido (and related oxo) complexes, it is well established that the intrinsic reactivity, for example nucleophilicity or electrophilicity of the nitrido (or oxo) ligand, can be attributed to M-N (M-O) ground-state bonding. In recent years, nitrogen (oxygen)-centred radical reactivity was ascribed to the possible redox non-innocence of nitrido (oxo) ligands. However, unequivocal spectroscopic characterization of such transient nitridyl {M=N•} (or oxyl {M-O•}) complexes remained elusive. Here we describe the synthesis and characterization of the novel, closed-shell and open-shell square-planar iridium nitrido complexes [IrN(Lt-Bu)]+ and [IrN(Lt-Bu)] (Lt-Bu=N(CHCHP-t-Bu2)2). Spectroscopic characterization and quantum chemical calculations for [IrN(Lt-Bu)] indicate a considerable nitridyl, {Ir=N•}, radical character. The clean formation of IrI-N2 complexes via binuclear coupling is rationalized in terms of nitrido redox non-innocence in [IrN(Lt-Bu)].

  19. Shell-model calculations for p-shell hypernuclei

    OpenAIRE

    Millener, D. J.

    2012-01-01

    The interpretation of hypernuclear gamma-ray data for p-shell hypernuclei in terms of shell-model calculations that include the coupling of Lambda- and Sigma-hypernuclear states is briefly reviewed. Next, Lambda 8Li, Lambda 8Be, and Lambda 9Li are considered, both to exhibit features of Lambda-Sigma coupling and as possible source of observed, but unassigned, hypernuclear gamma rays. Then, the feasibility of measuring the ground-state doublet spacing of Lambda 10Be, which, like Lambda 9Li, co...

  20. Windows PowerShell 20 Bible

    CERN Document Server

    Lee, Thomas; Schill, Mark E; Tanasovski, Tome

    2011-01-01

    Here's the complete guide to Windows PowerShell 2.0 for administrators and developers Windows PowerShell is Microsoft's next-generation scripting and automation language. This comprehensive volume provides the background that IT administrators and developers need in order to start using PowerShell automation in exciting new ways. It explains what PowerShell is, how to use the language, and specific ways to apply PowerShell in various technologies. Windows PowerShell is Microsoft's standard automation tool and something that every Windows administrator will eventually have to understand; this b

  1. Atomic vapor density monitor

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-09-01

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

  2. Structure of a bacterial microcompartment shell protein bound to a cobalamin cofactor.

    Science.gov (United States)

    Thompson, Michael C; Crowley, Christopher S; Kopstein, Jeffrey; Bobik, Thomas A; Yeates, Todd O

    2014-12-01

    The EutL shell protein is a key component of the ethanolamine-utilization microcompartment, which serves to compartmentalize ethanolamine degradation in diverse bacteria. The apparent function of this shell protein is to facilitate the selective diffusion of large cofactor molecules between the cytoplasm and the lumen of the microcompartment. While EutL is implicated in molecular-transport phenomena, the details of its function, including the identity of its transport substrate, remain unknown. Here, the 2.1 Å resolution X-ray crystal structure of a EutL shell protein bound to cobalamin (vitamin B12) is presented and the potential relevance of the observed protein-ligand interaction is briefly discussed. This work represents the first structure of a bacterial microcompartment shell protein bound to a potentially relevant cofactor molecule.

  3. arXiv Global $SU(2)_L \\otimes$BRST symmetry and its LSS theorem: Ward-Takahashi identities governing Green's functions, on-shell T-Matrix elements, and $V_{eff}$, in the scalar-sector of certain spontaneously broken non-Abelian gauge theories

    CERN Document Server

    Güngör, Özenç; Starkman, Glenn D.; Stora, Raymond

    This work is dedicated to the memory of Raymond Stora (1930-2015). $SU(2)_L$ is the simplest spontaneous symmetry breaking (SSB) non-Abelian gauge theory: a complex scalar doublet $\\phi =\\frac{1}{\\sqrt{2}}\\begin{bmatrix}H+i\\pi_3 -\\pi_2 + i\\pi_1\\end{bmatrix}\\equiv \\frac{1}{\\sqrt{2}}\\tilde{H}e^{2i\\tilde{t}\\cdot\\tilde{\\vec{\\pi}}/}\\begin{bmatrix}1 0\\end{bmatrix}$ and a vector $\\vec{W}^\\mu$. In Landau gauge, $\\vec{W}^\\mu$ is transverse, $\\vec{\\tilde{\\pi}}$ are massless derivatively coupled Nambu-Goldstone bosons (NGB). A global shift symmetry enforces $m^{2}_{\\tilde{\\pi}}=0$. We observe that on-shell T-matrix elements of physical states ${\\vec W}^\\mu$,$\\phi$ are independent of global $SU(2)_{L}$ transformations, and that the associated global current is exactly conserved for amplitudes of physical states. We identify two towers of "1-soft-pion" global Ward-Takahashi Identities (WTI), which govern the $\\phi$-sector, and represent a new global symmetry which we call $SU(2)_L\\otimes$BRST, a symmetry not of the Lagran...

  4. Detection of gas atoms with carbon nanotubes

    Science.gov (United States)

    Arash, B.; Wang, Q.

    2013-01-01

    Owning to their unparalleled sensitivity resolution, nanomechanical resonators have excellent capabilities in design of nano-sensors for gas detection. The current challenge is to develop new designs of the resonators for differentiating distinct gas atoms with a recognizably high sensitivity. In this work, the characteristics of impulse wave propagation in carbon nanotube-based sensors are investigated using molecular dynamics simulations to provide a new method for detection of noble gases. A sensitivity index based on wave velocity shifts in a single-walled carbon nanotube, induced by surrounding gas atoms, is defined to explore the efficiency of the nano-sensor. The simulation results indicate that the nano-sensor is able to differentiate distinct noble gases at the same environmental temperature and pressure. The inertia and the strengthening effects by the gases on wave characteristics of carbon nanotubes are particularly discussed, and a continuum mechanics shell model is developed to interpret the effects.

  5. Shell model Monte Carlo methods

    Energy Technology Data Exchange (ETDEWEB)

    Koonin, S.E. [California Inst. of Tech., Pasadena, CA (United States). W.K. Kellogg Radiation Lab.; Dean, D.J. [Oak Ridge National Lab., TN (United States)

    1996-10-01

    We review quantum Monte Carlo methods for dealing with large shell model problems. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in fluctuating one-body fields; resultant path integral is evaluated stochastically. We first discuss the motivation, formalism, and implementation of such Shell Model Monte Carlo methods. There then follows a sampler of results and insights obtained from a number of applications. These include the ground state and thermal properties of pf-shell nuclei, thermal behavior of {gamma}-soft nuclei, and calculation of double beta-decay matrix elements. Finally, prospects for further progress in such calculations are discussed. 87 refs.

  6. Deposition of conductive TiN shells on SiO{sub 2} nanoparticles with a fluidized bed ALD reactor

    Energy Technology Data Exchange (ETDEWEB)

    Didden, Arjen [Delft University of Technology, Faculty of Applied Sciences, Materials for Energy Conversion and Storage (Netherlands); Hillebrand, Philipp; Wollgarten, Markus [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Institute for Solar Fuels (Germany); Dam, Bernard; Krol, Roel van de, E-mail: roel.vandekrol@helmholtz-berlin.de [Delft University of Technology, Faculty of Applied Sciences, Materials for Energy Conversion and Storage (Netherlands)

    2016-02-15

    Conductive TiN shells have been deposited on SiO{sub 2} nanoparticles (10–20 nm primary particle size) with fluidized bed atomic layer deposition using TDMAT and NH{sub 3} as precursors. Analysis of the powders confirms that shell growth saturates at approximately 0.4 nm/cycle at TDMAT doses of >1.2 mmol/g of powder. TEM and XPS analysis showed that all particles were coated with homogeneous shells containing titanium. Due to the large specific surface area of the nanoparticles, the TiN shells rapidly oxidize upon exposure to air. Electrical measurements show that the partially oxidized shells are conducting, with apparent resistivity of approximately ∼11 kΩ cm. The resistivity of the powders is strongly influenced by the NH{sub 3} dose, with a smaller dose giving an order-of-magnitude higher resistivity.

  7. Optimization of electrothermal atomization parameters for simultaneous multielement atomic absorption spectrometry

    Science.gov (United States)

    Harnly, J.M.; Kane, J.S.

    1984-01-01

    The effect of the acid matrix, the measurement mode (height or area), the atomizer surface (unpyrolyzed and pyrolyzed graphite), the atomization mode (from the wall or from a platform), and the atomization temperature on the simultaneous electrothermal atomization of Co, Cr, Cu, Fe, Mn, Mo, Ni, V, and Zn was examined. The 5% HNO3 matrix gave rise to severe irreproducibility using a pyrolyzed tube unless the tube was properly "prepared". The 5% HCl matrix did not exhibit this problem, and no problems were observed with either matrix using an unpyrolized tube or a pyrolyzed platform. The 5% HCl matrix gave better sensitivities with a pyrolyzed tube but the two matrices were comparable for atomization from a platform. If Mo and V are to be analyzed with the other seven elements, a high atomization temperature (2700??C or greater) is necessary regardless of the matrix, the measurement mode, the atomization mode, or the atomizer surface. Simultaneous detection limits (peak height with pyrolyzed tube atomization) were comparable to those of conventional atomic absorption spectrometry using electrothermal atomization above 280 nm. Accuracies and precisions of ??10-15% were found in the 10 to 120 ng mL-1 range for the analysis of NBS acidified water standards.

  8. 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.

  9. Playing Pinball with Atoms

    NARCIS (Netherlands)

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

    2009-01-01

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

  10. Learning Shell scripting with Zsh

    CERN Document Server

    Festari, Gaston

    2014-01-01

    A step-by-step tutorial that will teach you, through real-world examples, how to configure and use Zsh and its various features. If you are a system administrator, developer, or computer professional involved with UNIX who are looking to improve on their daily tasks involving the UNIX shell, ""Learning Shell Scripting with Zsh"" will be great for you. It's assumed that you have some familiarity with an UNIX command-line interface and feel comfortable with editors such as Emacs or vi.

  11. Stability of facetted translation shells

    DEFF Research Database (Denmark)

    Almegaard, Henrik; Vanggaard, Ole

    2004-01-01

    This article is discussing the spatial stability i.e. rigidity of double curved shell surfaces under different support conditions. It is based upon a method developed by Henrik Almegaard, as part of the theory concerning the stringer system (ALM04a).......This article is discussing the spatial stability i.e. rigidity of double curved shell surfaces under different support conditions. It is based upon a method developed by Henrik Almegaard, as part of the theory concerning the stringer system (ALM04a)....

  12. Global optimization and oxygen dissociation on polyicosahedral Ag32Cu6 core-shell cluster for alkaline fuel cells

    OpenAIRE

    N. Zhang; Chen, F Y; Wu, X Q

    2015-01-01

    The structure of 38 atoms Ag-Cu cluster is studied by using a combination of a genetic algorithm global optimization technique and density functional theory (DFT) calculations. It is demonstrated that the truncated octahedral (TO) Ag32Cu6 core-shell cluster is less stable than the polyicosahedral (pIh) Ag32Cu6 core-shell cluster from the atomistic models and the DFT calculation shows an agreeable result, so the newfound pIh Ag32Cu6 core-shell cluster is further investigated for potential appl...

  13. The Shell-Model Code NuShellX@MSU

    Science.gov (United States)

    Brown, B. A.; Rae, W. D. M.

    2014-06-01

    Use of the code NuShellX@MSU is outlined. It connects to the ENSDF data files for automatic comparisons to energy level data. Operator overlaps provide predictions for spectroscopic factors, two-nucleon transfer amplitudes, nuclear moments, gamma decay and beta decay.

  14. The Shell-Model Code NuShellX@MSU

    Energy Technology Data Exchange (ETDEWEB)

    Brown, B.A., E-mail: brown@nscl.msu.edu [Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Rae, W.D.M. [Garsington, Oxfordshire, OX44 (United Kingdom)

    2014-06-15

    Use of the code NuShellX@MSU is outlined. It connects to the ENSDF data files for automatic comparisons to energy level data. Operator overlaps provide predictions for spectroscopic factors, two-nucleon transfer amplitudes, nuclear moments, gamma decay and beta decay.

  15. Atomization characteristics of a prefilming airblast atomizer

    Science.gov (United States)

    Hayashi, Shigeru; Koito, Atsushi; Hishiki, Manabu

    1992-01-01

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

  16. L-shell bifurcation of electron outer belt at the recovery phase of geomagnetic storm as observed by STEP-F and SphinX instruments onboard the CORONAS-Photon satellite

    Science.gov (United States)

    Dudnik, Oleksiy; Sylwester, Janusz; Kowalinski, Miroslaw; Podgorski, Piotr

    2016-07-01

    Radiation belts and sporadically arising volumes comprising enhanced charged particle fluxes in the Earth's magnetosphere are typically studied by space-borne telescopes, semiconductor, scintillation, gaseous and other types of detectors. Ambient and internal electron bremsstrahlung in hard X-ray arises as a result of interaction of precipitating particles with the atmosphere (balloon experiments) and with the satellite's housings and instrument boxes (orbital experiments). Theses emissions provide a number of new information on the physics of radiation belts. The energies of primary electrons and their spectra responsible for measured X-ray emissions remain usually unknown. Combined measurements of particle fluxes, and their bremsstrahlung by individual satellite instruments placed next to each other provide insight to respective processes. The satellite telescope of electrons and protons STEP-F and the solar X-ray spectrophotometer SphinX were placed in close proximity to each other aboard CORONAS-Photon, the low, circular and highly inclined orbit satellite. Based on joint analysis of the data we detected new features in the high energy particle distributions of the Earth's magnetosphere during deep minimum of solar activity [1-3]. In this research the bifurcation of Van Allen outer electron radiation belt during the weak geomagnetic storm and during passage of interplanetary shock are discussed. Outer belt bifurcation and growth of electron fluxes in a wide energy range were recorded by both instruments during the recovery phase of May 8, 2009 substorm. STEP-F recorded also barely perceptible outer belt splitting on August 5, 2009, after arrival of interplanetary shock to the Earth's magnetosphere bowshock. The STEP-F and SphinX data are compared with the space weather indexes, and with relativistic electron fluxes observed at geostationary orbit. We discuss possible mechanism of the phenomena consisting in the splitting of drift shells because of Earth

  17. Synthesis of Fe-based core@ZnO shell nanopowders by laser pyrolysis for biomedical applications

    Science.gov (United States)

    Gavrila-Florescu, Lavinia; Dumitrache, Florian; Balas, Mihaela; Fleaca, Claudiu Teodor; Scarisoreanu, Monica; Morjan, Iuliana P.; Dutu, Elena; Ilie, Alina; Banici, Ana-Maria; Locovei, Claudiu; Prodan, Gabriel

    2017-12-01

    Nano-sized Fe-based (metallic, carbidic and/or oxidic) core@ZnO shell particles have been successfully synthesized in one step by the laser-induced pyrolysis method in an oxygen-deficient environment. The specific precursors were separately introduced through a three concentric nozzles injector: Fe(CO)5 vapors carried by C2H4 sensitizer (central flow), Zn(C2H5)2 vapors carried and diluted with Ar (middle annular coflow) and Ar containing low amount of O2 (external flow). Keeping constant the ethylene-carried Fe(CO)5 and O2 flows, while diminishing the Zn(C2H5)2 flow, we observed an increase of the Fe/Zn ratio in the resulted nanopowders. Also, using the same metal precursor flows, a nonlinear correlation between O2 external flow and nanocomposite atomic oxygen content is evidenced, indicating a possible interference of supplementary oxidation after air exposure. However, the lowest oxygen content along with metallic zinc was found in the sample synthesized in the most oxygen-deficient environment. Transmission electron microscopy (TEM), high-resolution electron microscopy (HRTEM), selected area electron diffraction (SAED), X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDS), X-ray photoelectron spectroscopy (XPS) and magnetic analyses were performed for a comprehensive characterization. The aqueous Fe-based@ZnO nanoparticles (NPs) suspensions were prepared using L-Dopa ( l-3,4-dihydroxy-phenylalanine) as stabilizing agent in physiologic media. Also, a biocompatibility in vitro study was performed for PBS (phosphate buffered saline)-dispersed L-Dopa-stabilized Fe-based@ZnO nanoparticles with the best core-shell structural features on both human normal lung fibroblasts and tumoral colorectal cells. Our results proved the ability of these newly synthesized nanostructures to target cancer cells in order to induce cytotoxicity and to exhibit biocompatibility on normal cells for maintaining the proper function of healthy tissue.

  18. Single atom electrochemical and atomic analytics

    Science.gov (United States)

    Vasudevan, Rama

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

  19. Statistical mechanics of thin spherical shells

    CERN Document Server

    Kosmrlj, Andrej

    2016-01-01

    We explore how thermal fluctuations affect the mechanics of thin amorphous spherical shells. In flat membranes with a shear modulus, thermal fluctuations increase the bending rigidity and reduce the in-plane elastic moduli in a scale-dependent fashion. This is still true for spherical shells. However, the additional coupling between the shell curvature, the local in-plane stretching modes and the local out-of-plane undulations, leads to novel phenomena. In spherical shells thermal fluctuations produce a radius-dependent negative effective surface tension, equivalent to applying an inward external pressure. By adapting renormalization group calculations to allow for a spherical background curvature, we show that while small spherical shells are stable, sufficiently large shells are crushed by this thermally generated "pressure". Such shells can be stabilized by an outward osmotic pressure, but the effective shell size grows non-linearly with increasing outward pressure, with the same universal power law expone...

  20. Mesoscale structure of chiral nematic shells.

    Science.gov (United States)

    Zhou, Ye; Guo, Ashley; Zhang, Rui; Armas-Perez, Julio C; Martínez-González, José A; Rahimi, Mohammad; Sadati, Monirosadat; de Pablo, Juan J

    2016-11-09

    There is considerable interest in understanding and controlling topological defects in nematic liquid crystals (LCs). Confinement, in the form of droplets, has been particularly effective in that regard. Here, we employ a Landau-de Gennes formalism to explore the geometrical frustration of nematic order in shell geometries, and focus on chiral materials. By varying the chirality and thickness in uniform shells, we construct a phase diagram that includes tetravalent structures, bipolar structures (BS), bent structures and radial spherical structures (RSS). It is found that, in uniform shells, the BS-to-RSS structural transition, in response to both chirality and shell geometry, is accompanied by an abrupt change of defect positions, implying a potential use for chiral nematic shells as sensors. Moreover, we investigate thickness heterogeneity in shells and demonstrate that non-chiral and chiral nematic shells exhibit distinct equilibrium positions of their inner core that are governed by shell chirality c.

  1. Multilevel Atomic Coherent States and Atomic Holomorphic Representation

    Science.gov (United States)

    Cao, Chang-Qi; Haake, Fritz

    1996-01-01

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

  2. Shell morphology of core-shell latexes based on conductive polymers

    NARCIS (Netherlands)

    Huijs, F.M; Vercauteren, F.F.; de Ruiter, B.; Kalicharan, D; Hadziioannou, G

    Core-shell latexes with a conductive shell can be used to prepare transparent conducting layers. We have focussed on the relation between the conducting polymer content and the shell morphology and on its influence on conductivity. At low polypyrrole (PPy) concentrations the shell has a smooth

  3. Study of the influence of the shell correction energy on the nuclear reactions leading to the region of the superheavy nuclei; Etude de l'influence de l'energie de correction de couches sur les reactions nucleaires menant a la region des noyaux superlourds

    Energy Technology Data Exchange (ETDEWEB)

    Marchix, A

    2007-11-15

    The aim of this work is to study the influence of shell correction energy on the deexcitation of superheavy nuclei. For that purpose, a new statistical code, called Kewpie2, which is based on an original algorithm allowing to have access to very weak probabilities, was developed. The results obtained with Kewpie2 have been compared to the experimental data on residue cross sections obtained by cold fusion (Z=108 to Z=113) and by hot fusion (Z=112, Z=114 and Z=116), as well as data on fission times (Z=114, Z=120 and Z=126). Constraints on the microscopic structure of the studied nuclei have been obtained by means of the shell correction energy. By adjusting the intrinsic parameters of the models of fusion in order to reproduce the data on the fusion cross sections, this study shows the necessity of decreasing very strongly the shell correction energy predicted by the calculations of Moller and Nix, during the study of the residues cross sections as well for the nuclei produced by cold fusion as by hot fusion. On the other hand, during the confrontation of the results of Kewpie2 to the data on mean fission times, it is rather advisable to increase it. A shift of the proton shell closure predicted for Z=114 by the calculations of Moller and Nix towards larger Z would allow to explain these opposite conclusions. In this thesis, we also have shown the significant influence of the inclusion of isomeric states on fission times for the superheavy nuclei. (author)

  4. Shell formation and nuclear masses

    Energy Technology Data Exchange (ETDEWEB)

    Zuker, A. P. [IPHC, IN2P3-CNRS, Universite Louis Pasteur, F-67037 Strasbourg (France)]. e-mail: Andres.Zuker@IReS.in2p3.fr

    2008-12-15

    We describe the basic mechanisms responsible for nuclear bulk properties and shell formation incorporated in the Duflo Zuker models. The emphasis is put on explaining why functionals of the occupancies can be so efficient in accounting for data with minimal computational effort. (Author)

  5. Shell theorem for spontaneous emission

    DEFF Research Database (Denmark)

    Kristensen, Philip Trøst; Mortensen, Jakob Egeberg; Lodahl, Peter

    2013-01-01

    and therefore is given exactly by the dipole approximation theory. This surprising result is a spontaneous emission counterpart to the shell theorems of classical mechanics and electrostatics and provides insights into the physics of mesoscopic emitters as well as great simplifications in practical calculations....

  6. (Oil Palm Shell) Lightweight Concrete

    African Journals Online (AJOL)

    The compressive strength as destructive test and, ultrasonic pulse velocity (UPV) and dynamic modulus of elasticity (Ed) as non-destructive tests have been carried out on a new lightweight concrete produced using oil palm shell (OPS) as coarse aggregate, as a way to establish the usefulness of these tests to determine the ...

  7. Determination of K shell absorption jump factors and jump ratios of 3d transition metals by measuring K shell fluorescence parameters.

    Science.gov (United States)

    Kaçal, Mustafa Recep; Han, Ibrahim; Akman, Ferdi

    2014-10-29

    Energy dispersive X-ray fluorescence technique (EDXRF) has been employed for measuring K-shell absorption jump factors and jump ratios for Ti, Cr, Fe, Co, Ni and Cu elements. The jump factors and jump ratios for these elements were determined by measuring K shell fluorescence parameters such as the Kα X-ray production cross-sections, K shell fluorescence yields, Kβ-to-Kα X-rays intensity ratios, total atomic absorption cross sections and mass attenuation coefficients. The measurements were performed using a Cd-109 radioactive point source and an Si(Li) detector in direct excitation and transmission experimental geometry. The measured values for jump factors and jump ratios were compared with theoretically calculated and the ones available in the literature. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Spectroscopic Investigations of Highly Charged Tungsten Ions - Atomic Spectroscopy and Fusion Plasma Diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Clementson, Joel [Lund Univ. (Sweden)

    2010-05-01

    The spectra of highly charged tungsten ions have been investigated using x-ray and extreme ultraviolet spectroscopy. These heavy ions are of interest in relativistic atomic structure theory, where high-precision wavelength measurements benchmark theoretical approaches, and in magnetic fusion research, where the ions may serve to diagnose high-temperature plasmas. The work details spectroscopic investigations of highly charged tungsten ions measured at the Livermore electron beam ion trap (EBIT) facility. Here, the EBIT-I and SuperEBIT electron beam ion traps have been employed to create, trap, and excite tungsten ions of M- and L-shell charge states. The emitted spectra have been studied in high resolution using crystal, grating, and x-ray calorimeter spectrometers. In particular, wavelengths of n = 0 M-shell transitions in K-like W55+ through Ne-like W64+, and intershell transitions in Zn-like W44+ through Co-like W47+ have been measured. Special attention is given to the Ni-like W46+ ion, which has two strong electric-dipole forbidden transitions that are of interest for plasma diagnostics. The EBIT measurements are complemented by spectral modeling using the Flexible Atomic Code (FAC), and predictions for tokamak spectra are presented. The L-shell tungsten ions have been studied at electron-beam energies of up to 122 keV and transition energies measured in Ne-like W64+ through Li-like W71+. These spectra constitute the physics basis in the design of the ion-temperature crystal spectrometer for the ITER tokamak. Tungsten particles have furthermore been introduced into the Sustained Spheromak Physics Experiment (SSPX) spheromak in Livermore in order to investigate diagnostic possibilities of extreme ultraviolet tungsten spectra for the ITER divertor. The spheromak measurement and spectral modeling using FAC suggest that tungsten ions in charge states around Er-like W6+ could be useful for

  9. 21 CFR 886.3800 - Scleral shell.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Scleral shell. 886.3800 Section 886.3800 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Prosthetic Devices § 886.3800 Scleral shell. (a) Identification. A scleral shell is a device made of glass or plastic that is...

  10. Protein profiles of hatchery egg shell membrane

    Science.gov (United States)

    Background: Eggshells, which consist largely of calcareous outer shell and shell membranes, constitute a significant part of poultry hatchery waste. The shell membranes (ESM) not only contain proteins that originate from egg whites but also from the developing embryos and different contaminants of m...

  11. Cesium Atomic Fountain Clocks at NMIJ

    Science.gov (United States)

    2010-11-01

    Wynands and S. Weyers, 2005, “Atomic fountain clocks,” Metrologia , 42, S64-S79. [2] M. Takamoto, F. L. Hong, R. Higashi, et al., 2005, “An optical...beam of laser-cooled cesium atoms,” Physical Review, A 60, R4241-R4244. [13] V. Gerginov, N. Nemitz, S. Weyers, et al., 2010, “Uncertainty evaluation of the caesium fountain clock PTB-CSF2,” Metrologia , 47, 65-79.

  12. Manifestation of Geometric and Electronic Shell Structures of Metal Clusters in Intercluster Reactions.

    Science.gov (United States)

    Krishnadas, K R; Baksi, Ananya; Ghosh, Atanu; Natarajan, Ganapati; Pradeep, Thalappil

    2017-06-27

    Monolayer protected clusters exhibit rich diversity in geometric and electronic structures. However, structure-reactivity relationships in these clusters are rarely explored. In this context, [Ag44(SR)30]4-, where -SR is an alkyl/aryl thiolate, is an interesting system due to its geometrically and electronically closed-shell structures and distinct charge states. We demonstrate that these structural features of [Ag44(SR)30]4- are distinctly manifested in its solution-state reaction with another cluster, [Au25(SR)18]-. Through this reaction, an alloy cluster anion, [Au12Ag32(SR)30]4-, evolves spontaneously as revealed by high-resolution electrospray ionization mass spectrometry. Ultraviolet-visible absorption spectroscopy and density functional theory calculations indicate that [Au12Ag32(SR)30]4- is formed by the substitution of all of the Ag atoms in the innermost icosahedral shell of [Ag44(SR)30]4- and the abundance is attributed to its higher stability due to closed geometric as well as electronic shell structure, similar to the reactant clusters. We further demonstrate that the substitution of metal atoms in the middle dodecahedral shell and the outermost mount sites are also possible, however such substitutions produce AuxAg44-x(SR)30 alloy clusters with geometrically and electronically open shells. Depending on specific sites of substitution, an unexpected superatom-nonsuperatom transition occurs in the distribution of AuxAg44-x(SR)30 alloy clusters formed in this reaction. Our results present a unique example of a structure-reactivity relationship in the metal atom substitution chemistry of monolayer protected clusters, wherein a systematic trend, reflecting the geometric and the electronic shell structures of the reactant as well as the product clusters, was observed.

  13. Atom-specific surface magnetometry

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-15

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

  14. Atomic-Beam Magnetic Resonance Experiments at ISOLDE

    CERN Multimedia

    2002-01-01

    The aim of the atomic-beam magnetic resonance (ABMR) experiments at ISOLDE is to map the nuclear behaviour in wide regions of the nuclear chart by measuring nuclear spins and moments of ground and isomeric states. This is made through an investigation of the atomic hyperfine structure of free, neutral atoms in a thermal atomic-beam using radio-frequency techniques. On-line operation allows the study of short-lived nuclei far from the region of beta-stability.\\\\ \\\\ The ABMR experiments on the |2S^1 ^2 elements Rb, Cs, Au and Fr have been completed, and present efforts are directed towards the elements with an open p-shell and on the rare-earth elements.\\\\ \\\\ The experimental data obtained are compared with results from model calculations, giving information on the single-particle structure and on the nuclear shape parameters.

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

    OpenAIRE

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

    2005-01-01

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

  16. Packaging of DNA by shell crosslinked nanoparticles.

    Science.gov (United States)

    Thurmond, K B; Remsen, E E; Kowalewski, T; Wooley, K L

    1999-07-15

    We demonstrate compaction of DNA with nanoscale biomimetic constructs which are robust synthetic analogs of globular proteins. These constructs are approximately 15 nm in diameter, shell crosslinked knedel-like (SCKs) nanoparticles, which are prepared by covalent stabilization of amphiphilic di-block co-polymer micelles, self-assembled in an aqueous solution. This synthetic approach yields size-controlled nanoparticles of persistent shape and containing positively charged functional groups at and near the particle surface. Such properties allow SCKs to bind with DNA through electrostatic interactions and facilitate reduction of the DNA hydrodynamic diameter through reversible compaction. Compaction of DNA by SCKs was evident in dynamic light scattering experiments and was directly observed by in situ atomic force microscopy. Moreover, enzymatic digestion of the DNA plasmid (pBR322, 4361 bp) by Eco RI was inhibited at low SCK:DNA ratios and prevented when [le]60 DNA bp were bound per SCK. Digestion by Msp I in the presence of SCKs resulted in longer DNA fragments, indicating that not all enzyme cleavage sites were accessible within the DNA/SCK aggregates. These results have implications for the development of vehicles for successful gene therapy applications.

  17. Cargo-shell and cargo-cargo couplings govern the mechanics of artificially loaded virus-derived cages

    Science.gov (United States)

    Llauró, Aida; Luque, Daniel; Edwards, Ethan; Trus, Benes L.; Avera, John; Reguera, David; Douglas, Trevor; Pablo, Pedro J. De; Castón, José R.

    2016-04-01

    Nucleic acids are the natural cargo of viruses and key determinants that affect viral shell stability. In some cases the genome structurally reinforces the shell, whereas in others genome packaging causes internal pressure that can induce destabilization. Although it is possible to pack heterologous cargoes inside virus-derived shells, little is known about the physical determinants of these artificial nanocontainers' stability. Atomic force and three-dimensional cryo-electron microscopy provided mechanical and structural information about the physical mechanisms of viral cage stabilization beyond the mere presence/absence of cargos. We analyzed the effects of cargo-shell and cargo-cargo interactions on shell stability after encapsulating two types of proteinaceous payloads. While bound cargo to the inner capsid surface mechanically reinforced the capsid in a structural manner, unbound cargo diffusing freely within the shell cavity pressurized the cages up to ~30 atm due to steric effects. Strong cargo-cargo coupling reduces the resilience of these nanocompartments in ~20% when bound to the shell. Understanding the stability of artificially loaded nanocages will help to design more robust and durable molecular nanocontainers.Nucleic acids are the natural cargo of viruses and key determinants that affect viral shell stability. In some cases the genome structurally reinforces the shell, whereas in others genome packaging causes internal pressure that can induce destabilization. Although it is possible to pack heterologous cargoes inside virus-derived shells, little is known about the physical determinants of these artificial nanocontainers' stability. Atomic force and three-dimensional cryo-electron microscopy provided mechanical and structural information about the physical mechanisms of viral cage stabilization beyond the mere presence/absence of cargos. We analyzed the effects of cargo-shell and cargo-cargo interactions on shell stability after encapsulating two

  18. A mild route of synthesis metal/carbon novel core/shell nanospheres in ethanol system

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haibo; Jin, Quan; Yang, Lufeng [Jinan University, College of Life Science and Technology (China); Liu, Yingliang, E-mail: tliuyl@163.com [South China Agricultural University, College of Science (China)

    2013-07-15

    Precious metals core/shell nanospheres were synthesized via a one-pot method, we investigate a new route using 2,4-dihydroxybenzoic acid and formaldehyde served as carbonaceous shell, ethanol reducing metal particles served as core and l-lysine initiating to obtain core/shell structures. This synthesis was reflux in ethanol system at a low temperature of 80 Degree-Sign . Uniform size, homogeneous morphology, and high purity of the product were synthesized by this method. Moreover, shell thickness are tunable when we change the dosage of metal and PVP (l-lysine). The core/shell nanoparticles have the core diameter of 8-12 nm and the sphere shell diameter of 100-140 nm. Ag@C, Au@C, and Pd@C were prepared via the same method. The different dosage of PVP and sequence of formaldehyde are investigated in order to clarify the reaction mechanism. Based on this, we give a reasonable explanation to the universal method. TEM, XRD, FTIR, UV-spectra, and EDS (HRTEM) were used to characterize the core/shell nanostructures.

  19. Saturation Effect of Projectile Excitation in Ion-Atom Collisions

    Science.gov (United States)

    Mukoyama, Takeshi; Lin, Chii-Dong

    Calculations of projectile K-shell electron excitation cross sections for He-like ions during ion-atom collisions have been performed in the distortion approximation by the use of Herman-Skillman wave functions. The calculated results are compared with the experimental data for several targets. The excitation cross sections deviate from the first-Born approximation and show the saturation effect as a function of target atomic number. This effect can be explained as the distortion of the projectile electronic states by the target nucleus.

  20. Charge radii of neon isotopes across the sd neutron shell

    CERN Document Server

    Marinova, K; Kowalska, M; Kotrotsios, G; Kloos, S; Neugart, R; Blaum, K; Simon, H; Keim, M; Lievens, P; Wilbert, S; Kappertz, S

    2011-01-01

    We report on the changes in mean square charge radii of unstable neon nuclei relative to the stable (20)Ne, based on the measurement of optical isotope shifts. The studies were carried out using collinear laser spectroscopy on a fast beam of neutral neon atoms. High sensitivity on short-lived isotopes was achieved thanks to nonoptical detection based on optical pumping and state-selective collisional ionization, which was complemented by an accurate determination of the beam kinetic energy. The new results provide information on the structural changes in the sequence of neon isotopes all across the neutron sd shell, ranging from the proton drip line nucleus and halo candidate (17)Ne up to the neutron-rich (28)Ne in the vicinity of the ``island of inversion.{''} Within this range the charge radius is smallest for (24)Ne with N = 14 corresponding to the closure of the neutron d(5/2) shell, while it increases toward both neutron shell closures, N = 8 and N = 20. The general trend of the charge radii correlates w...

  1. Shell structure of potassium isotopes deduced from their magnetic moments

    CERN Document Server

    Papuga, J; Kreim, K; Barbieri, C; Blaum, K; De Rydt, M; Duguet, T; Garcia Ruiz, R F; Heylen, H; Kowalska, M; Neugart, R; Neyens, G; Nortershauser, W; Rajabali, M M; Sanchez, R; Smirnova, N; Soma, V; Yordanov, D T

    2014-01-01

    $\\textbf{Background:}$ Ground-state spins and magnetic moments are sensitive to the nuclear wave function, thus they are powerful probes to study the nuclear structure of isotopes far from stability. \\\\ \\\\ $\\textbf{Purpose:}$ Extend our knowledge about the evolution of the $1/2^+$ and $3/2^+$ states for K isotopes beyond the $N = 28$ shell gap. \\\\ \\\\ $\\textbf{Method:}$ High-resolution collinear laser spectroscopy on bunched atomic beams. \\\\ \\\\ $\\textbf{Results:}$ From measured hyperfine structure spectra of K isotopes, nuclear spins and magnetic moments of the ground states were obtained for isotopes from $N = 19$ up to $N = 32$. In order to draw conclusions about the composition of the wave functions and the occupation of the levels, the experimental data were compared to shell-model calculations using SDPF-NR and SDPF-U effective interactions. In addition, a detailed discussion about the evolution of the gap between proton $1d_{3/2}$ and $2s_{1/2}$ in the shell model and $\\textit{ab initio}$ framework is al...

  2. Effect of C60 adducts on the dynamic structure of aromatic solvation shells

    Science.gov (United States)

    Peerless, James S.; Bowers, G. Hunter; Kwansa, Albert L.; Yingling, Yaroslava G.

    2017-06-01

    We report herein on the use of all-atom molecular dynamics simulations to investigate the solvation environment of C60 and four C60-derived fullerenes immersed in a variety of aromatic solvents. Utilizing a recently developed solvation shell analysis technique that quantifies the spatial relationships between fullerenes and solvent on a molecular level, we show that the number of fullerene substituents and solvent chemistry are crucial determinants of the solvation shell structure and thus fullerene solvation behavior. Specifically, it is shown for the derivatives investigated that the number of fullerene substituents is more critical to solvation behavior than the substituent chemistry.

  3. Enhanced bifunctional fuel cell catalysis via Pd/PtCu core/shell nanoplates.

    Science.gov (United States)

    Lin, Fei; Wang, Kai; Tang, Yonghua; Lai, Jianping; Lou, Mingchuan; Huang, Minghua; Guo, Shaojun

    2017-11-27

    Depositing Pt atoms on nanoscale two-dimensional (2D) substrates resulting in the exposure of specific crystal facets is an effective strategy for reducing the Pt content without compromising the catalytic property. Herein, the Pd/PtCu core/shell nanoplates exhibit substantially improved ORR and MOR mass activities, 8.3 and 3.3 times higher than those of commercial Pt. The present work highlights the important role of designing a 2D core/shell nanostructure in enhancing fuel cell electrocatalysis.

  4. Comparative analysis of shell occupation by two southern populations of the hermit crab Loxopagurus loxochelis (Decapoda, Diogenidae

    Directory of Open Access Journals (Sweden)

    Luciane Ayres-Peres

    2012-09-01

    Full Text Available The present study aimed to comparatively verify the relation between the hermit crabs and the shells they use in two populations of Loxopagurus loxochelis. Samples were collected monthly from July 2002 to June 2003, at Caraguatatuba and Ubatuba Bay, São Paulo, Brazil. The animals sampled had their sex identified, were weighed and measured; their shells were identified, measured and weighed, and their internal volume determined. To relate the hermit crab's characteristics and the shells' variables, principal component analysis (PCA and a regression tree were used. According to the PCA analysis, the three gastropod shells most frequently used by L. loxochelis varied in size. The regression tree successfully explained the relationship between the hermit crab's characteristics and the internal volume of the inhabited shell. It can be inferred that the relationship between the morphometry of an individual hermit crab and its shell is not straightforward and it is impossible to explain only on the basis of direct correlations between the body's and the shell's attributes. Several factors (such as the morphometry and the availability of the shell, environmental conditions and inter- and intraspecific competition interact and seem to be taken into consideration by the hermit crabs when they choose a shell, resulting in the diversified pattern of shell occupancy shown here and elsewhere.

  5. Photoionisation of ions with synchrotron radiation: from ions in space to atoms in cages

    Energy Technology Data Exchange (ETDEWEB)

    Schippers, Stefan; Kilcoyne, A. L. David; Phaneuf, Ronald A.; Müller, Alfred

    2015-11-11

    Here, we introduce the photon-ion merged-beams technique for the photoionisation of mass/charge selected ionised atoms, molecules and clusters by x-rays from synchrotron radiation sources. Examples for photoionisation of atomic ions are discussed by going from outer shell ionisation of simple few electron systems to inner shell ionisation of complex many electron ions. Fundamental ionisation mechanisms are elucidated and the importance of the results for applications in astrophysics and plasma physics is pointed out. Finally, the unique capabilities of the photon-ion merged-beams technique for the study of photoabsorption by nanoparticles are demonstrated by the example of endohedral fullerene ions.

  6. Possible violation of the Pauli principle in atoms

    CERN Document Server

    Okun, Lev Borisovich

    1987-01-01

    A free field model with an explicit violation of the Pauli principle is constructed. The difficulties which arise in incorporating an electromagnetic interaction and in extending the model to the relativistic case are discussed. Some experiments which might be carried out to search for 'non-Pauli' atoms, with an anomalous filling of electron shells or of nucleon levels of the nucleus, are proposed. (9 refs).

  7. Bifurcation and Localization Instabilities in Cylindrical Shells under Bending. Part 1. Experiments

    Science.gov (United States)

    1991-01-01

    bending specimens. The stress-strain curves obtained were fitted with the Ramberg - Osgood fit given by The fit parameters calculated from each test...Dm, Dmi,, maximum and minimum shell diameter Do shell mean diameter E Young’s modulus L shell half length M moment Mo aoD0t n Ramberg - Osgood ...axial ripple half-wave length AD half-wave length of predicted ripples (J 2 def. Theory) ay Ramberg - Osgood yield parameter ao yield stress -E0 thickness

  8. Design aids for stiffened composite shells with cutouts

    CERN Document Server

    Sahoo, Sarmila

    2017-01-01

    This book focuses on the free vibrations of graphite-epoxy laminated composite stiffened shells with cutout both in terms of the natural frequencies and mode shapes. The dynamic analysis of shell structures, which may have complex geometry and arbitrary loading and boundary conditions, is solved efficiently by the finite element method, even including cutouts in shells. The results may be readily used by practicing engineers dealing with stiffened composite shells with cutouts. Several shell forms viz. cylindrical shell, hypar shell, conoidal shell, spherical shell, saddle shell, hyperbolic paraboloidal shell and elliptic paraboloidal shell are considered in the book. The dynamic characteristics of stiffened composite shells with cutout are described in terms of the natural frequency and mode shapes. The size of the cutouts and their positions with respect to the shell centre are varied for different edge constraints of cross-ply and angle-ply laminated composite shells. The effects of these parametric variat...

  9. Synthesis of poly(methyl methacrylate)-block-poly(L-histidine) and its use as a hybrid silver nanoparticle conjugate.

    Science.gov (United States)

    Shin, Nam Ho; Lee, Jin Kyu; Li, Haiqing; Ha, Chang-Sik; Shchipunov, Yury A; Kim, Il

    2010-10-01

    Poly[(methyl methacrylate)-block-poly(L-histidine)] (PMMA-b-PHIS) was synthesized by combining atom transfer radical polymerization and living ring-opening polymerization of alpha-amino acid-N-carboxyanhydride. The resulting hybrid block copolymer forms reverse micelles in the mixture solution of water and N,N-dimethylformamide (DMF) and self-assembles into PHIS/PMMA core/shell spheres with controllable size in the range of 80 to 250 nm depending on the micellization temperature. The self-assembly of PMMA-b-PHIS was carried out in H2O/DMF (3/7) mixture in the presence of AgNO3. Reduction of the resulting Ag ions encapsulated inside of the reverse micelles yielded an attractive Ag nanoparticle core/polymer shell conjugate system.

  10. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant

    2015-01-01

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

  11. Single atom microscopy.

    Science.gov (United States)

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

    2012-12-01

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

  12. Structural and Spectroscopic Characterization of PM 597 Dye-Silica Core-Shell Nanoparticles

    Directory of Open Access Journals (Sweden)

    Tahani R. Al-Biladi

    2015-01-01

    Full Text Available Nanostructured fluorescent pyrromethene (PM doped-silica core-shell particles were successfully prepared by Stöber process. The average size of the particles was in the range of 10–20 nm measured by TEM micrograph. The atomic structure and morphology of PM 597/SiO2 core/shell nanoparticles were studied by AFM and SEM, respectively. Absorption and emission spectra of the PM 597/SiO2 core/shell nanoparticles under the UV irradiation were studied and not significantly influenced at the position of peaks. Finally, amplified spontaneous emission (ASE and photobleaching of dye were examined and found no significant influence on the peaks of PM dye due to the formation of smaller sizes of PM 597/SiO2 core/shell nanoparticles. The observed PM 597/SiO2 core/shell nanoparticles were different in shapes with smaller size distribution and highly luminescent. Majority of nanoparticles were roughly spherical with many of them aggregated. The less photobleaching of dye core may be due to the protection of pumped energy by SiO2 shell and restricts the leakage of dye.

  13. Solar Spectroscopy: Atomic Processes

    Science.gov (United States)

    Mason, H.; Murdin, P.

    2000-11-01

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

  14. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

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

  15. Recent developments in anisotropic heterogeneous shell theory

    CERN Document Server

    Grigorenko, Alexander Ya; Grigorenko, Yaroslav M; Vlaikov, Georgii G

    2016-01-01

    This volume focuses on the relevant general theory and presents some first applications, namely those based on classical shell theory. After a brief introduction, during which the history and state-of-the-art are discussed, the first chapter presents the mechanics of anisotropic heterogeneous shells, covering all relevant assumptions and the basic relations of 3D elasticity, classical and refined shell models. The second chapter examines the numerical techniques that are used, namely discrete orthogonalization, spline-collocation and Fourier series, while the third highlights applications based on classical theory, in particular, the stress-strain state of shallow shells, non-circular shells, shells of revolution, and free vibrations of conical shells. The book concludes with a summary and an outlook bridging the gap to the second volume.

  16. Indentation of ellipsoidal and cylindrical elastic shells.

    Science.gov (United States)

    Vella, Dominic; Ajdari, Amin; Vaziri, Ashkan; Boudaoud, Arezki

    2012-10-05

    Thin shells are found in nature at scales ranging from viruses to hens' eggs; the stiffness of such shells is essential for their function. We present the results of numerical simulations and theoretical analyses for the indentation of ellipsoidal and cylindrical elastic shells, considering both pressurized and unpressurized shells. We provide a theoretical foundation for the experimental findings of Lazarus et al. [following paper, Phys. Rev. Lett. 109, 144301 (2012)] and for previous work inferring the turgor pressure of bacteria from measurements of their indentation stiffness; we also identify a new regime at large indentation. We show that the indentation stiffness of convex shells is dominated by either the mean or Gaussian curvature of the shell depending on the pressurization and indentation depth. Our results reveal how geometry rules the rigidity of shells.

  17. Indentation of Ellipsoidal and Cylindrical Elastic Shells

    KAUST Repository

    Vella, Dominic

    2012-10-01

    Thin shells are found in nature at scales ranging from viruses to hens\\' eggs; the stiffness of such shells is essential for their function. We present the results of numerical simulations and theoretical analyses for the indentation of ellipsoidal and cylindrical elastic shells, considering both pressurized and unpressurized shells. We provide a theoretical foundation for the experimental findings of Lazarus etal. [following paper, Phys. Rev. Lett. 109, 144301 (2012)PRLTAO0031-9007] and for previous work inferring the turgor pressure of bacteria from measurements of their indentation stiffness; we also identify a new regime at large indentation. We show that the indentation stiffness of convex shells is dominated by either the mean or Gaussian curvature of the shell depending on the pressurization and indentation depth. Our results reveal how geometry rules the rigidity of shells. © 2012 American Physical Society.

  18. Turbine blade with spar and shell

    Science.gov (United States)

    Davies, Daniel O [Palm City, FL; Peterson, Ross H [Loxahatchee, FL

    2012-04-24

    A turbine blade with a spar and shell construction in which the spar and the shell are both secured within two platform halves. The spar and the shell each include outward extending ledges on the bottom ends that fit within grooves formed on the inner sides of the platform halves to secure the spar and the shell against radial movement when the two platform halves are joined. The shell is also secured to the spar by hooks extending from the shell that slide into grooves formed on the outer surface of the spar. The hooks form a serpentine flow cooling passage between the shell and the spar. The spar includes cooling holes on the lower end in the leading edge region to discharge cooling air supplied through the platform root and into the leading edge cooling channel.

  19. How Does Oyster Shell Immobilize Cadmium?

    Science.gov (United States)

    Lee, Hyun Ho; Kim, Sang Yoon; Owens, Vance N; Park, Sungkyun; Kim, Jiwoong; Hong, Chang Oh

    2018-01-01

    The exact mechanism of cadmium (Cd) immobilization by oyster shell (OS) has not been reported. The effect of OS on Cd immobilization and the exact mechanism should be known before applying remediation technology using OS to Cd contaminated soils. Therefore, the objective of this study was to elucidate the mechanism of Cd immobilization by OS. Three grams of OS (< 0.84 mm) was reacted with 30 mL of 0-3.56 mg Cd L-1 solution at 25 °C for 48 h. Cadmium adsorption increased with increasing initial concentration of Cd in solution. The X-ray diffraction patterns clearly demonstrated that precipitation of CdCO3 did not take place in suspensions of OS after reacting with up to 3.56 mol Cd L-1. Interestingly, we found formation of Ca0.67Cd0.33CO3 crystalline in suspension of OS after reacting with maximum initial Cd concentrations. Precipitation and chemisorption might contribute to Cd immobilization together. However, we feel confident that chemisorption is the major mechanism by which Cd immobilization occurs with OS. In conclusion, OS could be an effective bioadsorbent to immobilize Cd through formation of geochemically stable Cd mineral.

  20. Stability of the Regular Hayward Thin-Shell Wormholes

    Directory of Open Access Journals (Sweden)

    M. Sharif

    2016-01-01

    Full Text Available The aim of this paper is to construct regular Hayward thin-shell wormholes and analyze their stability. We adopt Israel formalism to calculate surface stresses of the shell and check the null and weak energy conditions for the constructed wormholes. It is found that the stress-energy tensor components violate the null and weak energy conditions leading to the presence of exotic matter at the throat. We analyze the attractive and repulsive characteristics of wormholes corresponding to ar>0 and ar<0, respectively. We also explore stability conditions for the existence of traversable thin-shell wormholes with arbitrarily small amount of fluid describing cosmic expansion. We find that the space-time has nonphysical regions which give rise to event horizon for 0l=0.9. It is concluded that the Hayward and Van der Waals quintessence parameters increase the stability of thin-shell wormholes.

  1. Nature of the concentration thresholds of europium atom yield from the oxidized tungsten surface under electron stimulated desorption

    CERN Document Server

    Davydov, S Y

    2002-01-01

    The nature of the electron-stimulated desorption (ESD) of the europium atoms by the E sub e irradiating electrons energies, equal to 50 and 80 eV, as well as peculiarities of the Eu atoms yield dependence on their concentration on the oxidized tungsten surface are discussed. It is shown, that the ESD originates by the electron transition from the interval 5p- or 5s shell of the tungsten surface atom onto the oxygen external unfilled 2p-level

  2. The specific edge effects of 2D core/shell model for spin-crossover nanoparticles

    Science.gov (United States)

    Muraoka, Azusa; Boukheddaden, Kamel; Linarès, Jorge; Varret, Francois

    2012-02-01

    We analyzed the size effect of spin-crossover nanoparticles at the edges of the 2D square lattices core/shell model, where the edge atoms are constrained to the high spin (HS) state. We performed MC simulations using the Ising-like Hamiltonian, [ H=-J∑(i,j)∑l i'=±1; j'=±1 S( i,j )S( i+i',j+j' ) +( δ2-kBT2g )∑(i,j)S( i,j ) ] The molar entropy change is δS 50J/K/mol, lng=δS/R 6 (R is the perfect gas constant), energy gap is δ=1300K. The HS fixed edges were based on the observation of an increasing residual HS fraction at low temperature upon particle size reduction. This specific boundary condition acts as a negative pressure which shifts downwards the equilibrium temperature. The interplay between the equilibrium temperature (=δ/kBlng) variation and the expected variation of the effective interactions in the system leads to a non-monotonous dependence of the hysteresis loop width upon the particle size. We described how the occurrence condition of the first-order transition has to be adapted to the nanoscale.

  3. {sup 4}He-induced L X-ray production cross sections in Pt and Bi

    Energy Technology Data Exchange (ETDEWEB)

    Ouziane, S. [Faculte de Physique, Universite des Sciences et de Technologie Houari Boumediene, BP 32, El Alia, Bab Ezzouar, 16111 Alger (Algeria)], E-mail: sounucl@yahoo.fr; Amokrane, A. [Faculte de Physique, Universite des Sciences et de Technologie Houari Boumediene, BP 32, El Alia, Bab Ezzouar, 16111 Alger (Algeria); Ecole Nationale Preparatoire aux Etudes d' Ingeniorat, Rouiba, Alger (Algeria); Toumert, I. [Centre de Recherches Nucleaires d' Alger, 2 Bd Frantz Fanon, BP 399, Alger (Algeria); Nourreddine, A. [Institut Pluridisciplinaire Hubert Curien, 67037 Strasbourg Cedex 2 (France)

    2009-05-15

    L shell X-ray production cross sections for {sup 4}He on Pt and Bi are measured at 2.0, 2.3 and 3.0 MeV. Good agreement is found with the available data of Balsamo et al. [A. Balsamo, N. De Cesare, F. Murolo, E. Perillo, G. Spadaccini, M. Vigilante, J. Phys. B: Atom. Mol. Opt. Phys. 32 (1999) 5699]. The results are compared with those of theoretical calculations using the ECPSSR model [W. Brandt, G. Lapicki, Phys. Rev. A 23 (1981) 1717]. The difference already observed at low incident ion energy between ECPSSR calculations and measured data for the L{sub {beta}} and L{sub {gamma}} lines clearly appears in this work.

  4. Shell Evolutions and Nuclear Forces

    Science.gov (United States)

    Sorlin, O.

    2014-03-01

    During the last 30 years, and more specifically during the last 10 years, many experiments have been carried out worldwide using different techniques to study the shell evolution of nuclei far from stability. What seemed not conceivable some decades ago became rather common: all known magic numbers that are present in the valley of stability disappear far from stability and are replaced by new ones at the drip line. By gathering selected experimental results, beautifully consistent pictures emerge, that very likely take root in the properties of the nuclear forces.The present manuscript describes some of these discoveries and proposes an intuitive understanding of these shell evolutions derived from observations. Extrapolations to yet unstudied regions, as where the explosive r-process nucleosynthesis occurs, are proposed. Some remaining challenges and puzzling questions are also addressed.

  5. The shell coal gasification process

    Energy Technology Data Exchange (ETDEWEB)

    Koenders, L.O.M.; Zuideveld, P.O. [Shell Internationale Petroleum Maatschappij B.V., The Hague (Netherlands)

    1995-12-01

    Future Integrated Coal Gasification Combined Cycle (ICGCC) power plants will have superior environmental performance and efficiency. The Shell Coal Gasification Process (SCGP) is a clean coal technology, which can convert a wide range of coals into clean syngas for high efficiency electricity generation in an ICGCC plant. SCGP flexibility has been demonstrated for high-rank bituminous coals to low rank lignites and petroleum coke, and the process is well suited for combined cycle power generation, resulting in efficiencies of 42 to 46% (LHV), depending on choice of coal and gas turbine efficiency. In the Netherlands, a 250 MWe coal gasification combined cycle plant based on Shell technology has been built by Demkolec, a development partnership of the Dutch Electricity Generating Board (N.V. Sep). The construction of the unit was completed end 1993 and is now followed by start-up and a 3 year demonstration period, after that the plant will be part of the Dutch electricity generating system.

  6. Insights into chromatographic separation using core-shell metal-organic frameworks: Size exclusion and polarity effects.

    Science.gov (United States)

    Qin, Weiwei; Silvestre, Martin E; Kirschhöfer, Frank; Brenner-Weiss, Gerald; Franzreb, Matthias

    2015-09-11

    Porous metal-organic frameworks (MOFs) [Cu3(BTC)2(H2O)3]n (also known as HKUST-1; BTC, benzene-1,3,5-tricarboxylic acid) were synthesized as homogeneous shell onto carboxyl functionalized magnetic microparticles through a liquid phase epitaxy (LPE) process. The as-synthesized core-shell HKUST-1 magnetic microparticles composites were characterized by XRD and SEM, and used as stationary phase in high performance liquid chromatography (HPLC). The effects of the unique properties of MOFs onto the chromatographic performance are demonstrated by the experiments. First, remarkable separation of pyridine and bipyridine is achieved, although both molecules show a strong interaction between the Cu-ions in HKUST-1 and the nitrogen atoms in their heterocyles. The difference can be explained due to size exclusion of bipyridine from the well defined pore structure of crystalline HKUST-1. Second, the enormous variety of possible interactions of sample molecules with the metal ions and linkers within MOFs allows for specifically tailored solid phases for challenging separation tasks. For example, baseline separation of three chloroaniline (CLA) isomers tested can be achieved without the need for gradient elution modes. Along with the experimental HPLC runs, in-depth modelling with a recently developed chromatography modelling software (ChromX) was applied and proofs the software to be a powerful tool for exploring the separation potential of thin MOF films. The pore diffusivity of pyridine and CLA isomers within HKUST-1 are found to be around 2.3×10(-15)m(2)s(-1). While the affinity of HKUST-1 to the tested molecules strongly differs, the maximum capacities are in the same range, with 0.37molL(-1) for pyridine and 0.23molL(-1) for CLA isomers, corresponding to 4.0 and 2.5 molecules per MOF unit cell, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Synthesis and cytotoxicity study of magnesium ferrite-gold core-shell nanoparticles.

    Science.gov (United States)

    Nonkumwong, Jeeranan; Pakawanit, Phakkhananan; Wipatanawin, Angkana; Jantaratana, Pongsakorn; Ananta, Supon; Srisombat, Laongnuan

    2016-04-01

    In this work, the core-magnesium ferrite (MgFe2O4) nanoparticles were prepared by hydrothermal technique. Completed gold (Au) shell coating on the surfaces of MgFe2O4 nanoparticles was obtained by varying core/shell ratios via a reduction method. Phase identification, morphological evolution, optical properties, magnetic properties and cytotoxicity to mammalian cells of these MgFe2O4 core coated with Au nanoparticles were examined by using a combination of X-ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy, UV-visible spectroscopy (UV-vis), vibrating sample magnetometry and resazurin microplate assay techniques. In general, TEM images revealed different sizes of the core-shell nanoparticles generated from various core/shell ratios and confirmed the completed Au shell coating on MgFe2O4 core nanoparticles via suitable core/shell ratio with particle size less than 100 nm. The core-shell nanoparticle size and the quality of coating influence the optical properties of the products. The UV-vis spectra of complete coated MgFe2O4-Au core-shell nanoparticles exhibit the absorption bands in the near-Infrared (NIR) region indicating high potential for therapeutic applications. Based on the magnetic property measurement, it was found that the obtained MgFe2O4-Au core-shell nanoparticles still exhibit superparamagnetism with lower saturation magnetization value, compared with MgFe2O4 core. Both of MgFe2O4 and MgFe2O4-Au core-shell also showed in vitro non-cytotoxicity to mouse areola fibroblast (L-929) cell line. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Sound Radiation of Cylindrical Shells

    Directory of Open Access Journals (Sweden)

    B Alzahabi

    2016-09-01

    Full Text Available The acoustic signature of submarines is very critical in such high performance structure. Submarines are not only required to sustain very high dynamic loadings at all time, but also being able maneuver and perform their functions under sea without being detected by sonar systems. Submarines rely on low acoustic signature level to remain undetected. Reduction of sound radiation is most efficiently achieved at the design stage. Acoustic signatures may be determined by considering operational scenarios, and modal characteristics. The acoustic signature of submarines is generally of two categories; broadband which has a continuous spectrum; and a tonal noise which has discrete frequencies. The nature of sound radiation of submarine is fiction of its speed. At low speed the acoustic signature is dominated by tonal noise, while at high speed, the acoustic signature is mainly dominated by broadband noise. Submarine hulls are mainly constructed of circular cylindrical shells. Unlike that of simpler structures such as beams and plates, the modal spectrum of cylindrical shell exhibits very unique characteristics. Mode crossing, the uniqueness of modal spectrum, and the redundancy of modal constraints are just to name a few. In cylindrical shells, the lowest natural frequency is not necessarily associated with the lowest wave index. In fact, the natural frequencies do not fall in ascending order of the wave index either. Solution of the vibration problem of cylindrical shells also indicates repeated natural frequencies. These modes are referred to as double peak frequencies. Mode shapes associated with each one of the natural frequencies are usually a combination of Radial (flexural, Longitudinal (axial, and Circumferential (torsional modes. In this paper, the wave equation will be set up in terms of the pressure fluctuations, p(x, t. It will be demonstrated that the noise radiation is a fluctuating pressure wave.

  9. 3D Atomic Arrangement at Functional Interfaces Inside Nanoparticles by Resonant High-Energy X-ray Diffraction.

    Science.gov (United States)

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

    2015-10-21

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

  10. A comparative study of Pt and Pt-Pd core-shell nanocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Long, Nguyen Viet, E-mail: nguyenviet_long@yahoo.com [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Posts and Telecommunications Institute of Technology, km 10 Nguyen Trai, Thanh Xuan, Ha Dong, Hanoi (Viet Nam); Laboratory for Nanotechnology, Vietnam National University, Ho Chi Minh, Linh Trung, Thu Duc, Ho Chi Minh (Viet Nam); Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasugakouen, Kasuga, Fukuoka 816-8580 (Japan); Ohtaki, Michitaka [Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasugakouen, Kasuga, Fukuoka 816-8580 (Japan); Hien, Tong Duy [Laboratory for Nanotechnology, Vietnam National University, Ho Chi Minh, Linh Trung, Thu Duc, Ho Chi Minh (Viet Nam); Randy, Jalem [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Nogami, Masayuki, E-mail: nogami@nitech.ac.jp [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)

    2011-10-30

    Highlights: > The syntheses of Pt (4-8 nm) and Pt-Pd core-shell nanoparticles (15-25 nm) are showed. > Pt-Pd core-shell catalysts possess catalytic property much better than Pt catalysts. > Pt-Pd core-shell catalysts exhibit fast and highly stable catalytic activity. > Fascinatingly, size effect is not as really important as nanostructuring effect. > Fast, stable, sensitive hydrogen adsorption is very crucial for fuel cells. - Abstract: This comparative study characterizes two types of metallic and core-shell bimetallic nanoparticles prepared with our modified polyol method. These nanoparticles consist of Pt and Pt-Pd core-shell nanocatalysts exhibiting polyhedral morphologies. The controlled syntheses of Pt metallic nanoparticles in the 10-nm regime (4-8 nm) and Pt-Pd bimetallic core-shell nanoparticles in the 30-nm regime (15-25 nm) are presented. To realize our ultimate research goals for proton exchange membrane fuel cells (PEMFCs) and direct methanol fuel cells (DMFCs), we thoroughly investigate the dependence of the electrocatalytic properties of the nanoparticles on the structure, size and morphology. Significant differences in the electrocatalysis are also explained in experimental evidences of both Pt and Pt-Pd nanocatalysts. We suggested that the core-shell controlled morphologies and nanostructures of the Pd nanoshell as the Pd atomic monolayers will not only play an important role in producing inexpensive, novel Pt- and Pd-based nanocatalysts but also in designing more efficient Pt- and Pd-based nanocatalysts for practical use in DMFC technology. Our comparative results show that Pt-Pd nanocatalysts with Pd nanoshells exhibited much better electrocatalytic activity and stabilization compared to Pt nanocatalysts. Interestingly, we found that the size effect is not as strong as the nanostructuring effect on the catalytic properties of the researched nanoparticles. A nanostructure effect of the core-shell bimetallic nanoparticles was identified.

  11. Understanding irregular shell formation of Nautilus in aquaria: chemical composition and structural analysis.

    Science.gov (United States)

    Moini, Mehdi; O'Halloran, Aoife; Peters, Alan M; France, Christine A M; Vicenzi, Edward P; DeWitt, Tamsen G; Langan, Esther; Walsh, Tim; Speakman, Robert J

    2014-01-01

    Irregular shell formation and black lines on the outside of live chambered nautilus shells have been observed in all adult specimens at aquariums and zoos soon after the organisms enter aquaria. Black lines have also been observed in wild animals at sites of broken shell, but continued growth from that point returns to a normal, smooth structure. In contrast, rough irregular deposition of shell continues throughout residence in aquaria. The composition and reasons for deposition of the black material and mitigation of this irregular shell formation is the subject of the current study. A variety of analytical techniques were used, including stable isotope mass spectrometry (SI-MS), inductively coupled plasma mass spectrometry (ICP-MS), micro x-ray fluorescence (µXRF), X-ray diffraction (XRD), and scanning electron microscopy (SEM) based X-ray microanalysis. Results indicate that the black material contains excess amounts of copper, zinc, and bromine which are unrelated to the Nautilus diet. The combination of these elements and proteins plays an important role in shell formation, growth, and strengthening. Further study will be needed to compare the proteomics of the shell under aquaria versus natural wild environments. The question remains as to whether the occurrence of the black lines indicates normal healing followed by growth irregularities that are caused by stress from chemical or environmental conditions. In this paper we begin to address this question by examining elemental and isotopic differences of Nautilus diet and salt water. The atomic composition and light stable isotopic ratios of the Nautilus shell formed in aquaria verses wild conditions are presented. © 2014 Wiley Periodicals, Inc.

  12. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

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

  13. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

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

  14. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

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

  15. Atomicity in Electronic Commerce,

    Science.gov (United States)

    1996-01-01

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

  16. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

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

  17. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

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

  18. Directed assembly of bifunctional silica-iron oxide nanocomposite with open shell structure.

    Science.gov (United States)

    Che, Hui Xin; Yeap, Swee Pin; Osman, Mohamed Syazwan; Ahmad, Abdul Latif; Lim, JitKang

    2014-10-08

    The synthesis of nanocomposite with controlled surface morphology plays a key role for pollutant removal from aqueous environments. The influence of the molecular size of the polyelectrolyte in synthesizing silica-iron oxide core-shell nanocomposite with open shell structure was investigated by using dynamic light scattering, atomic force microscopy, and quartz crystal microbalance with dissipation (QCM-D). Here, poly(diallydimethylammonium chloride) (PDDA) was used to promote the attachment of iron oxide nanoparticles (IONPs) onto the silica surface to assemble a nanocomposite with magnetic and catalytic bifunctionality. High molecular weight PDDA tended to adsorb on silica colloid, forming a more extended conformation layer than low molecular weight PDDA. Subsequent attachment of IONPs onto this extended PDDA layer was more randomly distributed, forming isolated islands with open space between them. By taking amoxicillin, an antibiotic commonly found in pharmaceutical waste, as the model system, better removal was observed for silica-iron oxide nanocomposite with a more extended open shell structure.

  19. Average M shell fluorescence yields for elements with 70≤Z≤92

    Energy Technology Data Exchange (ETDEWEB)

    Kahoul, A., E-mail: ka-abdelhalim@yahoo.fr [Department of Materials Science, Faculty of Sciences and Technology, Mohamed El Bachir El Ibrahimi University, Bordj-Bou-Arreridj 34030 (Algeria); LPMRN laboratory, Department of Materials Science, Faculty of Sciences and Technology, Mohamed El Bachir El Ibrahimi University, Bordj-Bou-Arreridj 34030 (Algeria); Deghfel, B. [Physics Department, Faculty of Sciences, M’Sila University, 28000 M’Sila (Algeria); Laboratory of materials physics and their applications, Physics Department, Faculty of Sciences, University of Mohamed Boudiaf, 28000 M’sila (Algeria); Aylikci, V. [Department of Metallurgical and Materials Engineering, Faculty of Technology, Mustafa Kemal University, Hatay 31040 (Turkey); Aylikci, N. K. [Department of Physics, Faculty of Sciences, Karadeniz Technical University, Trabzon 61080,Turkey (Turkey); Nekkab, M. [Physics Department, Faculty of Sciences, M’Sila University, 28000 M’Sila (Algeria); LESIMS laboratory, Faculty of Sciences, Ferhat Abbas University, Setif,19000 (Algeria)

    2015-03-30

    The theoretical, experimental and analytical methods for the calculation of average M-shell fluorescence yield (ω{sup ¯}{sub M}) of different elements are very important because of the large number of their applications in various areas of physical chemistry and medical research. In this paper, the bulk of the average M-shell fluorescence yield measurements reported in the literature, covering the period 1955 to 2005 are interpolated by using an analytical function to deduce the empirical average M-shell fluorescence yield in the atomic range of 70≤Z≤92. The results were compared with the theoretical and fitted values reported by other authors. Reasonable agreement was typically obtained between our result and other works.

  20. Ultrathin Epitaxial Cu@Au Core-Shell Nanowires for Stable Transparent Conductors.

    Science.gov (United States)

    Niu, Zhiqiang; Cui, Fan; Yu, Yi; Becknell, Nigel; Sun, Yuchun; Khanarian, Garo; Kim, Dohyung; Dou, Letian; Dehestani, Ahmad; Schierle-Arndt, Kerstin; Yang, Peidong

    2017-05-31

    Copper nanowire networks are considered a promising alternative to indium tin oxide as transparent conductors. The fast degradation of copper in ambient conditions, however, largely overshadows their practical applications. Here, we develop the synthesis of ultrathin Cu@Au core-shell nanowires using trioctylphosphine as a strong binding ligand to prevent galvanic replacement reactions. The epitaxial overgrowth of a gold shell with a few atomic layers on the surface of copper nanowires can greatly enhance their resistance to heat (80 °C), humidity (80%) and air for at least 700 h, while their optical and electrical performance remained similar to the original high-performance copper (e.g., sheet resistance 35 Ω sq-1 at transmittance of ∼89% with a haze factor <3%). The precise engineering of core-shell nanostructures demonstrated in this study offers huge potential to further explore the applications of copper nanowires in flexible and stretchable electronic and optoelectronic devices.

  1. Ultrathin Interface Regime of Core-Shell Magnetic Nanoparticles for Effective Magnetism Tailoring.

    Science.gov (United States)

    Moon, Seung Ho; Noh, Seung-Hyun; Lee, Jae-Hyun; Shin, Tae-Hyun; Lim, Yongjun; Cheon, Jinwoo

    2017-02-08

    The magnetic exchange coupling interaction between hard and soft magnetic phases has been important for tailoring nanoscale magnetism, but spin interactions at the core-shell interface have not been well studied. Here, we systematically investigated a new interface phenomenon termed enhanced spin canting (ESC), which is operative when the shell thickness becomes ultrathin, a few atomic layers, and exhibits a large enhancement of magnetic coercivity (HC). We found that ESC arises not from the typical hard-soft exchange coupling but rather from the large magnetic surface anisotropy (KS) of the ultrathin interface. Due to this large increase in magnetism, ultrathin core-shell nanoparticles overreach the theoretical limit of magnetic energy product ((BH)max) and exhibit one of the largest values of specific loss power (SLP), which testifies to their potential capability as an effective mediator of magnetic energy conversion.

  2. Synthesis and characterization of PEG-iron oxide core-shell composite nanoparticles for thermal therapy.

    Science.gov (United States)

    Wydra, Robert J; Kruse, Anastasia M; Bae, Younsoo; Anderson, Kimberly W; Hilt, J Zach

    2013-12-01

    In this study, core-shell nanoparticles were developed to achieve thermal therapy that can ablate cancer cells in a remotely controlled manner. The core-shell nanoparticles were prepared using atomic transfer radical polymerization (ATRP) to coat iron oxide (Fe3O4) nanoparticles with a poly(ethylene glycol) (PEG) based polymer shell. The iron oxide core allows for the remote heating of the particles in an alternating magnetic field (AMF). The coating of iron oxide with PEG was verified through Fourier transform infrared spectroscopy and thermal gravimetric analysis. A thermoablation (55°C) study was performed on A549 lung carcinoma cells exposed to nanoparticles and over a 10 min AMF exposure. The successful thermoablation of A549 demonstrates the potential use of polymer coated particles for thermal therapy. © 2013.

  3. Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell.

    Science.gov (United States)

    Bodo, Enrico

    2015-09-03

    By using ab initio molecular dynamics, we investigate the solvent shell structure of La(3+) and Lu(3+) ions immersed in two ionic liquids, ethylammonium nitrate (EAN) and its hydroxy derivative (2-ethanolammonium nitrate, HOEAN). We provide the first study of the coordination properties of these heavy metal ions in such a highly charged nonacqueous environment. We find, as expected, that the coordination in the liquid is mainly due to nitrate anions and that, due to the bidentate nature of the ligand, the complexation shell of the central ion has a nontrivial geometry and a coordination number in terms of nitrate molecules that apparently violates the decrease of ionic radii along the lanthanides series, since the smaller Lu(3+) ion seems to coordinate six nitrate molecules and the La(3+) ion only five. A closer inspection of the structural features obtained from our calculations shows, instead, that the first shell of oxygen atoms is more compact for Lu(3+) than for La(3+) and that the former coordinates 8 oxygen atoms while the latter 10 in accord with the typical lanthanide's trend along the series and that their first solvation shells have a slight irregular and complex geometrical pattern. When moving to the HOEAN solutions, we have found that the solvation of the central ion is possibly also due to the cation itself through the oxygen atom on the side chain. Also, in this liquid, the coordination numbers in terms of oxygen atoms in both solvents is 10 for La(3+) and 8 for Lu(3+).

  4. Topological defects in cholesteric liquid crystal shells.

    Science.gov (United States)

    Darmon, Alexandre; Benzaquen, Michael; Čopar, Simon; Dauchot, Olivier; Lopez-Leon, Teresa

    2016-11-23

    We investigate experimentally and numerically the defect configurations emerging when a cholesteric liquid crystal is confined to a spherical shell. We uncover a rich scenario of defect configurations, some of them non-existent in nematic shells, where new types of defects are stabilized by the helical ordering of the liquid crystal. In contrast to nematic shells, here defects are not simple singular points or lines, but have a large structured core. Specifically, we observe five different types of cholesteric shells. We study the statistical distribution of the different types of shells as a function of the two relevant geometrical dimensionless parameters of the system. By playing with these parameters, we are able to induce transitions between different types of shells. These transitions involve interesting topological transformations in which the defects recombine to form new structures. Surprisingly, the defects do not approach each other by taking the shorter distance route (geodesic), but by following intricate paths.

  5. Mussel Shell Impaction in the Esophagus

    Directory of Open Access Journals (Sweden)

    Sunmin Kim

    2013-03-01

    Full Text Available Mussels are commonly used in cooking around the world. The mussel shell breaks more easily than other shells, and the edge of the broken mussel shell is sharp. Impaction can ultimately cause erosion, perforation and fistula. Aside from these complications, the pain can be very intense. Therefore, it is essential to verify and remove the shell as soon as possible. In this report we describe the process of diagnosing and treating mussel shell impaction in the esophagus. Physicians can overlook this unusual foreign body impaction due to lack of experience. When physicians encounter a patient with severe chest pain after a meal with mussels, mussel shell impaction should be considered when diagnosing and treating the patient.

  6. Plasma-assisted synthesis and high-resolution characterization of anisotropic elemental and bimetallic core–shell magnetic nanoparticles

    Directory of Open Access Journals (Sweden)

    M. Hennes

    2014-04-01

    Full Text Available Magnetically anisotropic as well as magnetic core–shell nanoparticles (CS-NPs with controllable properties are highly desirable in a broad range of applications. With this background, a setup for the synthesis of heterostructured magnetic core–shell nanoparticles, which relies on (optionally pulsed DC plasma gas condensation has been developed. We demonstrate the synthesis of elemental nickel nanoparticles with highly tunable sizes and shapes and Ni@Cu CS-NPs with an average shell thickness of 10 nm as determined with scanning electron microscopy, high-resolution transmission electron microscopy and energy-dispersive X-ray spectroscopy measurements. An analytical model that relies on classical kinetic gas theory is used to describe the deposition of Cu shell atoms on top of existing Ni cores. Its predictive power and possible implications for the growth of heterostructured NP in gas condensation processes are discussed.

  7. Continuous syntheses of Pd@Pt and Cu@Ag core-shell nanoparticles using microwave-assisted core particle formation coupled with galvanic metal displacement

    Science.gov (United States)

    Miyakawa, Masato; Hiyoshi, Norihito; Nishioka, Masateru; Koda, Hidekazu; Sato, Koichi; Miyazawa, Akira; Suzuki, Toshishige M.

    2014-07-01

    Continuous synthesis of Pd@Pt and Cu@Ag core-shell nanoparticles was performed using flow processes including microwave-assisted Pd (or Cu) core-nanoparticle formation followed by galvanic displacement with a Pt (or Ag) shell. The core-shell structure and the nanoparticle size were confirmed using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) observation and EDS elemental mapping. The Pd@Pt nanoparticles with a particle size of 6.5 +/- 0.6 nm and a Pt shell thickness of ca. 0.25 nm were synthesized with appreciably high Pd concentration (Pd 100 mM). This shell thickness corresponds to one atomic layer thickness of Pt encapsulating the Pd core metal. The particle size of core Pd was controlled by tuning the initial concentrations of Na2[PdCl4] and PVP. Core-shell Cu@Ag nanoparticles with a particle size of 90 +/- 35 nm and an Ag shell thickness of ca. 3.5 nm were obtained using similar sequential reactions. Oxidation of the Cu core was suppressed by the coating of Cu nanoparticles with the Ag shell.Continuous synthesis of Pd@Pt and Cu@Ag core-shell nanoparticles was performed using flow processes including microwave-assisted Pd (or Cu) core-nanoparticle formation followed by galvanic displacement with a Pt (or Ag) shell. The core-shell structure and the nanoparticle size were confirmed using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) observation and EDS elemental mapping. The Pd@Pt nanoparticles with a particle size of 6.5 +/- 0.6 nm and a Pt shell thickness of ca. 0.25 nm were synthesized with appreciably high Pd concentration (Pd 100 mM). This shell thickness corresponds to one atomic layer thickness of Pt encapsulating the Pd core metal. The particle size of core Pd was controlled by tuning the initial concentrations of Na2[PdCl4] and PVP. Core-shell Cu@Ag nanoparticles with a particle size of 90 +/- 35 nm and an Ag shell thickness of ca. 3.5 nm were obtained using similar sequential

  8. Fossorial origin of the turtle shell

    OpenAIRE

    Lyson, Tyler R.; Rubidge, Bruce S.; Torsten M Scheyer; de Queiroz, Kevin; Schachner, Emma R.; Smith, Roger M.H; Botha-Brink, Jennifer; Bever, G.S.

    2016-01-01

    The turtle shell is a complex structure that currently serves a largely protective function in this iconically slow-moving group [1]. Developmental [2, 3] and fossil [4-7] data indicate that one of the first steps toward the shelled body plan was broadening of the ribs (approximately 50 my before the completed shell [5]). Broadened ribs alone provide little protection [8] and confer significant locomotory [9, 10] and respiratory [9, 11] costs. They increase thoracic rigidity [8], which decrea...

  9. Clustering aspects and the shell model

    OpenAIRE

    Arima, Akito

    2004-01-01

    In this talk I shall discuss the clustering aspect and the shell model. I shall first discuss the $\\alpha$-cluster aspects based on the shell model calculations. Then I shall discuss the spin zero ground state dominance in the presence of random interactions and a new type of cluster structure for fermions in a single-$j$ shell in the presence of only pairing interaction with the largest multiplicity.

  10. Indentation of pressurized viscoplastic polymer spherical shells

    DEFF Research Database (Denmark)

    Tvergaard, Viggo; Needleman, A.

    2016-01-01

    The indentation response of polymer spherical shells is investigated. Finite deformation analyses are carried out with the polymer characterized as a viscoelastic/viscoplastic solid. Both pressurized and unpressurized shells are considered. Attention is restricted to axisymmetric deformations...... large strains are attained. The transition from an indentation type mode of deformation to a structural mode of deformation involving bending that occurs as the indentation depth increases is studied. The results show the effects of shell thickness, internal pressure and polymer constitutive...

  11. Integrable structure in discrete shell membrane theory.

    Science.gov (United States)

    Schief, W K

    2014-05-08

    We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory.

  12. Hohlraum-driven mid-Z (SiO2) double-shell implosions on the omega laser facility and their scaling to NIF.

    Science.gov (United States)

    Robey, H F; Amendt, P A; Milovich, J L; Park, H-S; Hamza, A V; Bono, M J

    2009-10-02

    High-convergence, hohlraum-driven implosions of double-shell capsules using mid-Z (SiO2) inner shells have been performed on the OMEGA laser facility [T. R. Boehly, Opt. Commun. 133, 495 (1997)]. These experiments provide an essential extension of the results of previous low-Z (CH) double-shell implosions [P. A. Amendt, Phys. Rev. Lett. 94, 065004 (2005)] to materials of higher density and atomic number. Analytic modeling, supported by highly resolved 2D numerical simulations, is used to account for the yield degradation due to interfacial atomic mixing. This extended experimental database from OMEGA enables a validation of the mix model, and provides a means for quantitatively assessing the prospects for high-Z double-shell implosions on the National Ignition Facility [Paisner, Laser Focus World 30, 75 (1994)].

  13. First-principles investigation on Au n @(ZnO)42 (n = 6-16) core-shell nanoparticles: structure stability and catalytic activity

    Science.gov (United States)

    Hu, Yaowen; Huo, Jinrong; Wang, Xiaoxu; Wang, Rongming

    2017-11-01

    A family of Au n @(ZnO)42 (n = 6 -16) cluster-assembled nanoparticles are studied by density-functional theory calculations. Different sizes, up to 100 atoms, are considered for several compositions. For each n, we design and construct a converged model for Au n @(ZnO)42 to analyze the coupling effect of adding Au atoms into ZnO outer shell. Among the optimized geometrical structures, we find that Au13 @(ZnO)42 has the most stable structure. The electronic properties, optical properties and catalytic activity of the Au13 @(ZnO)42 core-shell have been systematically investigated, which also shows consistency with the experimental results. It is found that forming a core-shell structure enhances the visible-light photocatalytic ability and Au13 @(ZnO)42 core-shell structure has a high catalytic efficiency for the reaction CO oxidation.

  14. 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

  15. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W

    1984-01-01

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

  16. Pathological behavior of the open-shell restricted self-consistent-field equations

    Energy Technology Data Exchange (ETDEWEB)

    Moscardo, F.; Alvarez-Collado, J.R.

    1979-02-01

    The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations.

  17. Interplay of electronic and geometry shell effects in properties of neutral and charged Sr clusters

    DEFF Research Database (Denmark)

    Lyalin, Andrey; Solov'yov, Ilia; Solov'yov, Andrey V.

    2007-01-01

    charged strontium clusters consisting of up to 14 atoms, average bonding distances, electronic shell closures, binding energies per atom, the gap between the highest occupied and the lowest unoccupied molecular orbitals, and spectra of the density of electronic states (DOS). It is demonstrated....... It is shown that the excessive charge essentially affects the optimized geometry of strontium clusters. Ionization of small strontium clusters results in the alteration of the magic numbers. The strong dependence of the DOS spectra on details of ionic structure allows one to perform a reliable geometry...

  18. OPTIMAL THICKNESS OF A CYLINDRICAL SHELL

    Directory of Open Access Journals (Sweden)

    Paul Ziemann

    2015-01-01

    Full Text Available In this paper an optimization problem for a cylindrical shell is discussed. The aim is to look for an optimal thickness of a shell to minimize the deformation under an applied external force. As a side condition, the volume of the shell has to stay constant during the optimization process. The deflection is calculated using an approach from shell theory. The resulting control-to-state operator is investigated analytically and a corresponding optimal control problem is formulated. Moreover, necessary conditions for an optimal solution are stated and numerical solutions are presented for different examples.

  19. Material with core-shell structure

    Science.gov (United States)

    Luhrs, Claudia [Rio Rancho, NM; Richard, Monique N [Ann Arbor, MI; Dehne, Aaron [Maumee, OH; Phillips, Jonathan [Rio Rancho, NM; Stamm, Kimber L [Ann Arbor, MI; Fanson, Paul T [Brighton, MI

    2011-11-15

    Disclosed is a material having a composite particle, the composite particle including an outer shell and a core. The core is made from a lithium alloying material and the outer shell has an inner volume that is greater in size than the core of the lithium alloying material. In some instances, the outer mean diameter of the outer shell is less than 500 nanometers and the core occupies between 5 and 99% of the inner volume. In addition, the outer shell can have an average wall thickness of less than 100 nanometers.

  20. Carbon isotopes in mollusk shell carbonates

    Science.gov (United States)

    McConnaughey, Ted A.; Gillikin, David Paul

    2008-10-01

    Mollusk shells contain many isotopic clues about calcification physiology and environmental conditions at the time of shell formation. In this review, we use both published and unpublished data to discuss carbon isotopes in both bivalve and gastropod shell carbonates. Land snails construct their shells mainly from respired CO2, and shell δ13C reflects the local mix of C3 and C4 plants consumed. Shell δ13C is typically >10‰ heavier than diet, probably because respiratory gas exchange discards CO2, and retains the isotopically heavier HCO3 -. Respired CO2 contributes less to the shells of aquatic mollusks, because CO2/O2 ratios are usually higher in water than in air, leading to more replacement of respired CO2 by environmental CO2. Fluid exchange with the environment also brings additional dissolved inorganic carbon (DIC) into the calcification site. Shell δ13C is typically a few ‰ lower than ambient DIC, and often decreases with age. Shell δ13C retains clues about processes such as ecosystem metabolism and estuarine mixing. Ca2+ ATPase-based models of calcification physiology developed for corals and algae likely apply to mollusks, too, but lower pH and carbonic anhydrase at the calcification site probably suppress kinetic isotope effects. Carbon isotopes in biogenic carbonates are clearly complex, but cautious interpretation can provide a wealth of information, especially after vital effects are better understood.

  1. Variations in atomic structural features of a supercooled Pd-Ni-Cu-P glass forming liquid during in situ vitrification

    Energy Technology Data Exchange (ETDEWEB)

    Georgarakis, Konstantinos [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); SIMAP-CNRS, Institut Polytechnique de Grenoble, BP 75, 38402 St-Martin-d' Heres (France); Louzguine-Luzgin, Dmitri V., E-mail: dml@wpi-aimr.tohoku.ac.jp [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); Antonowicz, Jerzy [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw (Poland); Vaughan, Gavin [European Synchrotron Radiation Facility, 38042 Grenoble (France); Yavari, Alain R. [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); SIMAP-CNRS, Institut Polytechnique de Grenoble, BP 75, 38402 St-Martin-d' Heres (France); European Synchrotron Radiation Facility, 38042 Grenoble (France); Egami, Takeshi [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan); Joint Institute for Neutron Sciences, Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37996 (United States); Joint Institute for Neutron Sciences, Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996 (United States); Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Inoue, Akihisa [WPI Advanced Institute for Materials Research, Tohoku University, Aoba-Ku, Sendai 980-8577 (Japan)

    2011-01-15

    In situ vitrification in a synchrotron beam during cooling of a Pd{sub 42.5}Cu{sub 30}Ni{sub 7.5}P{sub 20} melt allowed continuous acquisition of X-ray diffraction spectra in the supercooled liquid region between the liquidus temperature T{sub l} and the glass transition temperature T{sub g} for the first time in a metallic liquid alloy. These and subsequent acquisitions on reheating allowed determination of the structural changes in the supercooled and glassy states using the real space atomic pair distribution function PDF(R) and radial distribution function RDF(R). The nearest neighbor (NN) distance in the first coordination shell has a low R peak (pre-peak) that appears and increases on cooling from the liquidus temperature to the glass transition temperature in the supercooled liquid region. In this temperature range reversible expansion of the NN distances in the first coordination shell is observed. The slope of the expansion changes discontinuously at the glass transition. This behavior is explained by the theory of local topological fluctuations.

  2. Direct probing of micromechanical properties of hydrogen-bonded layer-by-layer microcapsule shells with different chemical compositions.

    Science.gov (United States)

    Lisunova, Milana O; Drachuk, Irina; Shchepelina, Olga A; Anderson, Kyle D; Tsukruk, Vladimir V

    2011-09-06

    The mechanical properties of hydrogen-bonded layer-by-layer (LbL) microcapsule shells constructed from tannic acid (TA) and poly(vinylpyrrolidone) (PVPON) components have been studied in both the dry and swollen states. In the dry state, the value of the elastic modulus was measured to be within 0.6-0.7 GPa, which is lower than the typical elastic modulus for electrostatically assembled LbL shells. Threefold swelling of the LbL shells in water results in a significant reduction of the elastic modulus to values well below 1 MPa, which is typical value seen for highly compliant gel materials. The increase of the molecular weight of the PVPON component from 55 to 1300 kDa promotes chain entanglements and causes a stiffening of the LbL shells with a more than 2-fold increase in elastic modulus value. Moreover, adding a polyethylenimine prime layer to the LbL shell affects the growth of hydrogen-bonded multilayers which consequently results in dramatically stiffer, thicker, and rougher LbL shells with the elastic modulus increasing by more than an order of magnitude, up to 4.3 MPa. An alternation of the elastic properties of very compliant hydrogen-bonded shells by variation of molecular weight is a characteristic feature of weakly bonded LbL shells. Such an ability to alter the elastic modulus in a wide range is critically important for the design of highly compliant microcapsules with tunable mechanical stability, loading ability, and permeability. © 2011 American Chemical Society

  3. Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters.

    Science.gov (United States)

    Perdew, John P; Tao, Jianmin; Hao, Pan; Ruzsinszky, Adrienn; Csonka, Gábor I; Pitarke, J M

    2012-10-24

    Fullerene molecules such as C(60) are large nearly spherical shells of carbon atoms. Pairs of such molecules have a strong long-range van der Waals attraction that can produce scattering or binding into molecular crystals. A simplified classical-electrodynamics model for a fullerene is a spherical metal shell, with uniform electron density confined between outer and inner radii (just as a simplified model for a nearly spherical metallic nanocluster is a solid metal sphere or filled shell). For the spherical-shell model, the exact dynamic multipole polarizabilities are all known analytically. From them, we can derive exact analytic expressions for the van der Waals coefficients of all orders between two spherical metal shells. The shells can be identical or different, and hollow or filled. To connect the model to a real fullerene, we input the static dipole polarizability, valence electron number and estimated shell thickness t of the real molecule. Our prediction for the leading van der Waals coefficient C(6) between two C(60) molecules ((1.30 ± 0.22) × 10(5) hartree bohr(6)) agrees well with a prediction for the real molecule from time-dependent density functional theory. Our prediction is remarkably insensitive to t. Future work might include the prediction of higher-order (e.g. C(8) and C(10)) coefficients for C(60), applications to other fullerenes or nearly spherical metal clusters, etc. We also make general observations about the van der Waals coefficients.

  4. Voronoi Grid-Shell Structures

    OpenAIRE

    Pietroni, Nico; Tonelli, Davide; Puppo, Enrico; Froli, Maurizio; Scopigno, Roberto; Cignoni, Paolo

    2014-01-01

    We introduce a framework for the generation of grid-shell structures that is based on Voronoi diagrams and allows us to design tessellations that achieve excellent static performances. We start from an analysis of stress on the input surface and we use the resulting tensor field to induce an anisotropic non-Euclidean metric over it. Then we compute a Centroidal Voronoi Tessellation under the same metric. The resulting mesh is hex-dominant and made of cells with a variable density, which depen...

  5. Generic thin-shell gravastars

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Moruno, Prado; Visser, Matt [School of Mathematics, Statistics, and Operations Research, Victoria University of Wellington, PO Box 600, Wellington 6140 (New Zealand); Garcia, Nadiezhda Montelongo [Departamento de Física, Centro de Investigación y Estudios avanzados del I.P.N., A.P. 14-700,07000 México, DF (Mexico); Lobo, Francisco S.N., E-mail: prado@msor.vuw.ac.nz, E-mail: nmontelongo@fis.cinvestav.mx, E-mail: flobo@cii.fc.ul.pt, E-mail: matt.visser@msor.vuw.ac.nz [Centro de Astronomia e Astrofísica da Universidade de Lisboa, Campo Grande, Edifício C8 1749-016 Lisboa (Portugal)

    2012-03-01

    We construct generic spherically symmetric thin-shell gravastars by using the cut-and-paste procedure. We take considerable effort to make the analysis as general and unified as practicable; investigating both the internal physics of the transition layer and its interaction with 'external forces' arising due to interactions between the transition layer and the bulk spacetime. Furthermore, we discuss both the dynamic and static situations. In particular, we consider 'bounded excursion' dynamical configurations, and probe the stability of static configurations. For gravastars there is always a particularly compelling configuration in which the surface energy density is zero, while surface tension is nonzero.

  6. Celestial mechanics of planet shells

    Science.gov (United States)

    Barkin, Yu V.; Vilke, V. G.

    2004-06-01

    The motion of a planet consisting of an external shell (mantle) and a core (rigid body), which are connected by a visco-elastic layer and mutually gravitationally interact with each other and with an external celestial body (considered as a material point), is studied (Barkin, 1999, 2002a,b; Vilke, 2004). Relative motions of the core and mantle are studied on the assumption that the centres of mass of the planet and external body move on unperturbed Keplerian orbits around the general centre of mass of the system. The core and mantle of the planet have axial symmetry and have different principal moments of inertia. The differential action of the external body on the core and mantle cause the periodic relative displacements of their centres of mass and their relative turns. An approximate solution of the problem was obtained on the basis of the linearization, averaging and small-parameter methods. The obtained analytical results are applied to the study of the possible relative displacements of the core and mantle of the Earth under the gravitational action of the Moon. For the suggested two-body Earth model and in the simple case of a circular (model) lunar orbit the new phenomenon of periodic translatory-rotary oscillations of the core with a fortnightly period the mantle was observed. The more remarkable phenomenon is the cyclic rotation with the same period (13.7 days) of the core relative to the mantle with a ‘large’ amplitude of 152 m (at the core surface).The results obtained confirm the general concept described by Barkin (1999, 2002a,b) that induced relative shell oscillations can control and dictate the cyclic and secular processes of energization of the planets and satellites in definite rhythms and on different time scales.The results obtained mean that giant moments and forces produce energy which causes in particular deformations of the viscoelastic layer between planet shells. This process is realized with different intensities on different time

  7. Shell Structure of Exotic Nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Dobaczewski, J. [Warsaw University; Michel, N. [University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL); Nazarewicz, Witold [ORNL; Ploszajczak, M. [Grand Accelerateur National d' Ions Lourds (GANIL); Rotureau, J. [University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL)

    2007-01-01

    Theoretical predictions and experimental discoveries for neutron-rich, short-lived nuclei far from stability indicate that the familiar concept of nucleonic shell structure should be considered as less robust than previously thought. The notion of single-particle motion in exotic nuclei is reviewed with a particular focus on three aspects: (i) variations of nuclear mean field with neutron excess due to tensor interactions; (ii) importance of many-body correlations; and (iii) influence of open channels on properties of weakly bound and unbound nuclear states.

  8. [Inheritance of the background shell color in the snails Littorina obtusata (Gastropoda, Littorinidae)].

    Science.gov (United States)

    Kozminsky, E V

    2014-10-01

    We investigated in a gastropod mollusk Littorina obtusata (L. obtusata) the inheritance of background shell coloration of the shell, which arises on the basis of three pigments: purple, orange, and yellow. We found that the hypothesis on polyallelic inheritance, as in the genus Cepaea, cannot explain the inheritance of shell color in periwinkles. We demonstrated that a separate genetic system is responsible for incorporation of each pigment into the shell. The composition of these genetic systems includes at least tw genes each in the case of the yellow and purple pigments. Our analysis shows that caution should be applied when extending the results obtained in the studies of the Cepaea genus to the other species of gastropods.

  9. Alternating current dielectrophoresis of core-shell nanoparticles: Experiments and comparison with theory

    Science.gov (United States)

    Yang, Chungja

    3D particle-assemblies. Chitosan (amino sugar) and poly-L-lysine (amino acid, PLL) CSnp shell materials were custom synthesized around a hollow (gas) core by utilizing a phospholipid micelle around a volatile fluid templating for the shell material; this approach proves to be novel and distinct from conventional core-shell models wherein a conductive core is coated with an insulative shell. Experiments were conducted within a 100 nl chamber housing 100 um wide Ti/Au quadrapole electrodes spaced 25 um apart. Frequencies from 100kHz to 80MHz at fixed local field of 5Vpp were tested with 10-5 and 10-3 S/m medium conductivities for 25 seconds. Dielectrophoretic responses of ~220 and 340(or ~400) nm chitosan or PLL CSnp were compiled as a function of medium conductivity, size and shell material. Experiments further examined shell thickness and particle concentration (chapter 6) dependencies on ~530 nm CSnp dielectrophoretic and electrorotational responses with ~30nm and ~80 nm shell thicknesses and at particle concentration count rates of 5000 +/- 500, 10000 +/- 500, and 15000 +/- 500 counts per second. Using similar experimental conditions, both dielectrophoretic and electrorotational CSnp responses were compiled versus frequency, shell thickness, and particle concentration. Knowledge gained from this study includes a unique resonance-like dielectrophoretic and electrorotational spectrum, which is significantly distinct from other cells and particles. CSnp dielectric properties were then calculated by parametrically fitting parameters to an existing core-shell model. The optimum conductivity and relative permittivity for the core and the shell are 1E-15 S/m, 1, 0.6 S/m, and 90, respectively. These properties can be exploited to rapidly assemble these unique core-shell particles for future structural color production in fabrics, vehicle, and wall painting.

  10. Local shell-to-shell energy transfer via nonlocal interactions in fluid ...

    Indian Academy of Sciences (India)

    in a triad, and the energy exchanges between wave-number shells in incompressible fluid turbulence. The computation has been done using first-order perturbative field theory. In three dimensions, magnitude of triad interactions is large for nonlocal triads, and small for local triads. However, the shell-to-shell energy transfer ...

  11. Noncontact atomic force microscopy in liquid environment with quartz tuning fork and carbon nanotube probe

    DEFF Research Database (Denmark)

    Kageshima, M.; Jensenius, Henriette; Dienwiebel, M.

    2002-01-01

    A force sensor for noncontact atomic force microscopy in liquid environment was developed by combining a multiwalled carbon nanotube (MWNT) probe with a quartz tuning fork. Solvation shells of octamethylcyclotetrasiloxane surface were detected both in the frequency shift and dissipation. Due...

  12. Most Typical 12 Resonant Perturbation of the Hydrogen Atom by Weak Electric and Magnetic Fields

    NARCIS (Netherlands)

    Efstathiou, K.; Lukina, O. V.; Sadovskii, D. A.

    2008-01-01

    We study a perturbation of the hydrogen atom by small homogeneous static electric and magnetic fields in a specific mutual alignment with angle approximately pi/3 which results in the 12 resonance of the linearized Keplerian n-shell approximation. The bifurcation diagram of the classical integrable

  13. Atomic & Molecular Interactions

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-07-12

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

  14. The Casimir atomic pendulum

    Energy Technology Data Exchange (ETDEWEB)

    Razmi, H. [Department of Physics, University of Qom, Qom 37185-359 (Iran, Islamic Republic of)], E-mail: razmi@qom.ac.ir; Abdollahi, M. [Department of Physics, University of Qom, Qom 37185-359 (Iran, Islamic Republic of)], E-mail: mah.abdollahi@gmail.com

    2008-11-10

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

  15. The Casimir atomic pendulum

    Science.gov (United States)

    Razmi, H.; Abdollahi, M.

    2008-11-01

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

  16. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1998-01-01

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

  17. Dalton's Atomic Theory

    National Research Council Canada - National Science Library

    DOBBIN, LEONARD

    1896-01-01

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

  18. Atomic Interferometry Project

    Data.gov (United States)

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

  19. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E

    2006-01-01

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

  20. Zeeman atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hadeishi, T.; McLaughlin, R.

    1978-08-01

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

  1. Anomalous diamagnetic susceptibility in 13-atom platinum nanocluster superatoms.

    Science.gov (United States)

    Roduner, Emil; Jensen, Christopher; van Slageren, Joris; Rakoczy, Rainer A; Larlus, Oliver; Hunger, Michael

    2014-04-22

    We are used to being able to predict diamagnetic susceptibilities χD to a good approximation in atomic increments since there is normally little dependence on the chemical environment. Surprisingly, we find from SQUID magnetization measurements that the χD per Pt atom of zeolite-supported Pt13 nanoclusters exceeds that of Pt(2+) ions by a factor of 37-50. The observation verifies an earlier theoretical prediction. The phenomenon can be understood nearly quantitatively on the basis of a simple expression for diamagnetic susceptibility and the superatom nature of the 13-atom near-spherical cluster. The two main contributions come from ring currents in the delocalized hydride shell and from cluster molecular orbitals hosting the Pt 5d and Pt 6s electrons. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Atomic Clocks Research - An Overview.

    Science.gov (United States)

    1987-08-15

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

  3. Wave Atom Based Watermarking

    OpenAIRE

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

    2013-01-01

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

  4. Atoms, molecules & elements

    CERN Document Server

    Graybill, George

    2007-01-01

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

  5. Atomic Bomb Health Benefits

    OpenAIRE

    Luckey, T. D.

    2008-01-01

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

  6. Decomposition of Protein Experimental Compressibility into Intrinsic and Hydration Shell Contributions

    Science.gov (United States)

    Dadarlat, Voichita M.; Post, Carol Beth

    2006-01-01

    The experimental determination of protein compressibility reflects both the protein intrinsic compressibility and the difference between the compressibility of water in the protein hydration shell and bulk water. We use molecular dynamics simulations to explore the dependence of the isothermal compressibility of the hydration shell surrounding globular proteins on differential contributions from charged, polar, and apolar protein-water interfaces. The compressibility of water in the protein hydration shell is accounted for by a linear combination of contributions from charged, polar, and apolar solvent-accessible surfaces. The results provide a formula for the deconvolution of experimental data into intrinsic and hydration contributions when a protein of known structure is investigated. The physical basis for the model is the variation in water density shown by the surface-specific radial distribution functions of water molecules around globular proteins. The compressibility of water hydrating charged atoms is lower than bulk water compressibility, the compressibility of water hydrating apolar atoms is somewhat larger than bulk water compressibility, and the compressibility of water around polar atoms is about the same as the compressibility of bulk water. We also assess whether hydration water compressibility determined from small compound data can be used to estimate the compressibility of hydration water surrounding proteins. The results, based on an analysis from four dipeptide solutions, indicate that small compound data cannot be used directly to estimate the compressibility of hydration water surrounding proteins. PMID:16997864

  7. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

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

    1991-12-01

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

  8. Law project adopted by the Senate and authorizing the ratification of the additional protocol to the agreement between France, the European atomic energy community and the international atomic energy agency relative to the application of warranties in France; Projet de loi adopte par le Senat autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en Franc

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-10-01

    This project of law concerns an additional protocol to the agreement of warranties signed on September 22, 1998 between France, the European atomic energy community and the IAEA. This agreement concerns the declaration of all information relative to the R and D activities linked with the fuel cycle and involving the cooperation with a foreign country non endowed with nuclear weapons. These information include the trade and processing of nuclear and non-nuclear materials and equipments devoted to nuclear reactors (pressure vessels, fuel loading/unloading systems, control rods, force and zirconium tubes, primary coolant pumps, deuterium and heavy water, nuclear-grade graphite), to fuel reprocessing plants, to isotope separation plants (gaseous diffusion, laser enrichment, plasma separation, electromagnetic enrichment), to heavy water and deuterium production plants, and to uranium conversion plants. (J.S.)

  9. Size- and Shape-Controlled Synthesis and Properties of Magnetic-Plasmonic Core-Shell Nanoparticles.

    Science.gov (United States)

    Kwizera, Elyahb Allie; Chaffin, Elise; Shen, Xiao; Chen, Jingyi; Zou, Qiang; Wu, Zhiming; Gai, Zheng; Bhana, Saheel; O'Connor, Ryan; Wang, Lijia; Adhikari, Hitesh; Mishra, Sanjay R; Wang, Yongmei; Huang, Xiaohua

    2016-05-19

    Magnetic-plasmonic core-shell nanomaterials offer a wide range of applications across science, engineering and biomedical disciplines. However, the ability to synthesize and understand magnetic-plasmonic core-shell nanoparticles with tunable sizes and shapes remains very limited. This work reports experimental and computational studies on the synthesis and properties of iron oxide-gold core-shell nanoparticles of three different shapes (sphere, popcorn and star) with controllable sizes (70 to 250 nm). The nanoparticles were synthesized via a seed-mediated growth method in which newly formed gold atoms were added onto gold-seeded iron oxide octahedrons to form gold shell. The evolution of the shell into different shapes was found to occur after the coalescence of gold seeds, which was achieved by controlling the amount of additive (silver nitrate) and reducing agent (ascorbic acid) in the growth solution. First principles calculation, together with experimental results, elucidated the intimate roles of thermodynamic and kinetic parameters in the shape-controlled synthesis. Both discrete dipole approximation calculation and experimental results showed that the nanopopcorns and nanostars exhibited red-shifted plasmon resonance compared with the nanospheres, with the nanostars giving multispectral feature. This research has made a great step further in manipulating and understanding magnetic-plasmonic hybrid nanostructures and will make important impact in many different fields.

  10. Anisotropic syntheses of boat-shaped core shell Au Ag nanocrystals and nanowires

    Science.gov (United States)

    Yang, Zusing; Chang, Huan-Tsung

    2006-05-01

    This paper describes the syntheses of boat-shaped core-shell Au-Ag bimetallic nanoparticles (NPs) and Au-Ag bimetallic nanowires (NWs). Initially, gold nanorods (AuNRs) having lengths and widths of 70 ± 18 and 12 ± 2 nm, respectively, were prepared from gold seeds in the presence of hexadecyltrimethylammonium bromide (CTAB), benzyldimethylammonium chloride (BDAC), NaAuCl4, AgNO3, and ascorbic acid. The thus-prepared AuNRs were then used to prepare boat-shaped core-shell Au-Ag bimetallic NPs in a glycine solution (pH 8.0) containing CTAB, AgNO3, and ascorbic acid. The CTAB/BDAC molar ratio and the AgNO3 concentration were important parameters affecting the anisotropy of the products. Silver atoms were deposited at both ends of the AuNRs to form the boat-shaped core-shell Au-Ag bimetallic NPs. Upon coalescence of the NPs at 88 ± 2 °C, the boat-shaped core-shell Au-Ag bimetallic NPs assembled into the form of NWs. These NWs, which were stable in solution at room temperature for at least 3 weeks, formed nanomaterials containing AuNRs after being heated at 210 °C for 15 min, i.e. as a result of the melting of the BDAC and silver shells.

  11. Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

    Energy Technology Data Exchange (ETDEWEB)

    Palmeri, P., E-mail: patrick.palmeri@umons.ac.be [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); Quinet, P., E-mail: pascal.quinet@umons.ac.be [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); IPNAS, Université de Liège, B-4000 Liège (Belgium); Batani, D., E-mail: batani@celia.u-bordeaux1.fr [CELIA, Université de Bordeaux, F-33400 Talence (France)

    2015-09-15

    The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)

  12. Evaluation of aqueous and alcohol-based quaternary ammonium sanitizers for inactivating Salmonella spp., Escherichia coli O157:H7, and Listeria monocytogenes on peanut and pistachio shells.

    Science.gov (United States)

    McEgan, Rachel; Danyluk, Michelle D

    2015-05-01

    This study evaluated the efficacy of aqueous (aQUAT) and isopropyl alcohol-based quaternary ammonium (ipQUAT) sanitizers for reducing Salmonella spp., Escherichia coli O157:H7, or Listeria monocytogenes populations on peanut and pistachio shell pieces. Inoculated nutshells were mixed with QUAT sanitizers, water, or 70% ethanol and enumerated immediately or after incubation at 30 °C for 48 h. None of the treatments had any immediate effect on Salmonella or E. coli O157:H7 populations on the peanut or pistachio shells. L. monocytogenes populations declined immediately on the peanut and pistachio shells treated with aQUAT or ipQUAT. After incubation, Salmonella and E. coli O157:H7 populations increased significantly on the water- or aQUAT-treated peanut and pistachio shells. L. monocytogenes populations also increased significantly on the water- or aQUAT-treated peanut shells, but levels did not change on the water-treated pistachio shells and levels were just above the limit of detection on the aQUAT-treated pistachio shells. After treatment with ipQUAT and 48-h incubation, Salmonella and E. coli O157:H7 populations decreased to or below the limit of detection on both shell types; L. monocytogenes populations remained at or below the limit of detection on both shell types. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Room-temperature ferromagnetism in CrSi2(core)/SiO2(shell) semiconducting nanocables

    Science.gov (United States)

    Hou, Te-Chien; Han, You-Hong; Lo, Shen-Chuan; Lee, Cheng-Tse; Ouyang, Hao; Chen, Lih-Juann

    2011-05-01

    Room-temperature ferromagnetism has been observed in high density free-standing CrSi2(core)/SiO2(shell) semiconducting nanocables, which is contrast to diamagnetic properties of both CrSi2 and SiO2 in bulk. The hexagonal CrSi2 C40-type nanowires, sheathed with a thin amorphous SiO2 layer, grow along [0001] direction. The results of first-principles simulations indicate that Cr atoms around the interface are with anomalously high magnetization (about 2 μB/atom), due to distorted/dangling bonds and surrounded oxygen atoms. Evaluations can be very consistent with measurements by further considering the effects of interfacial roughness and more distribution of oxygen around the interface. These results point toward a different way to tune nanomagnetism in core/shell nanowires.

  14. Localized versus shell-model-like clusters

    Energy Technology Data Exchange (ETDEWEB)

    Cseh, J.; Algora, A. [Institute of Nuclear Research of the Hungarian Academy of Sciences, Debrecen, Pf. 51, 4001 Hungary (Hungary); Darai, J. [Institute of Experimental Physics, University of Debrecen, Debrecen, Bem ter 18/A, 4026 Hungary (Hungary); Yepez M, H. [Universidad Autonoma de la Ciudad de Mexico, Prolongacion San Isidro 151, Col. San Lorenzo Tezonco, 09790 Mexico D. F. (Mexico); Hess, P. O. [Instituto de Ciencias Nucleares, UNAM, Apartado Postal 70-543, 04510 Mexico D. F. (Mexico)]. e-mail: cseh@atomki.hu

    2008-12-15

    In light of the relation of the shell model and the cluster model, the concepts of localized and shell-model-like clusters are discussed. They are interpreted as different phases of clusterization, which may be characterized by quasi-dynamical symmetries, and are connected by a phase-transition. (Author)

  15. Thick-shell nanocrystal quantum dots

    Science.gov (United States)

    Hollingsworth, Jennifer A [Los Alamos, NM; Chen, Yongfen [Eugene, OR; Klimov, Victor I [Los Alamos, NM; Htoon, Han [Los Alamos, NM; Vela, Javier [Los Alamos, NM

    2011-05-03

    Colloidal nanocrystal quantum dots comprising an inner core having an average diameter of at least 1.5 nm and an outer shell, where said outer shell comprises multiple monolayers, wherein at least 30% of the quantum dots have an on-time fraction of 0.80 or greater under continuous excitation conditions for a period of time of at least 10 minutes.

  16. Periodic Orbits and Deformed Shell Structure

    OpenAIRE

    Arita, K.; Magner, A. G.; Matsuyanagi, K.

    2002-01-01

    Relationship between quantum shell structure and classical periodic orbits is briefly reviewed on the basis of semi-classical trace formula. Using the spheroidal cavity model, it is shown that three-dimensional periodic orbits, which are born out of bifurcation of planar orbits at large prolate deformations, generate the superdeformed shell structure.

  17. Measuring galaxy potentials using shell kinematics

    NARCIS (Netherlands)

    Merrifield, MR; Kuijken, K

    1998-01-01

    We show that the kinematics of the shells seen around some elliptical galaxies provide a new, independent means for measuring the gravitational potentials of elliptical galaxies out to large radii. A numerical simulation of a set of shells formed in the merger between an elliptical and a smaller

  18. CORROSION INHIBITION BY CASHEW NUT SHELL LIQUID

    African Journals Online (AJOL)

    MECHANISTIC STUDIES OF CARBON STEEL. CORROSION INHIBITION BY CASHEW NUT SHELL. LIQUID. JYN Philip, J Buchweishaija and LL Mkayula. Department of Chemistry, University of Dar es Salaam,. P. O. Box 35061, Dar es Salaam, Tanzania. ABSTRACT. The inhibition mechanism of the Cashew Nut Shell ...

  19. Dynamic analysis of conical shells conveying fluid

    Science.gov (United States)

    Senthil Kumar, D.; Ganesan, N.

    2008-02-01

    A formulation, based on the semi-analytical finite element method, is proposed for elastic conical shells conveying fluids. The structural equations are based on the shell element proposed by Ramasamy and Ganesan [Finite element analysis of fluid-filled isotropic cylindrical shells with constrained viscoelastic damping, Computers & Structures 70 (1998) 363-376] while the fluid model is based on velocity potential formulation used by Jayaraj et al. [A semi-analytical coupled finite element formulation for composite shells conveying fluids, Journal of Sound and Vibration 258(2) (2002) 287-307]. Dynamic pressure acting on the walls is derived from Bernoulli's equation. By imposing the requirement that the normal component of velocity of the solid and fluid are equal leads to fluid-structure coupling. The computer code developed has been validated using results available in the literature for cylindrical shells conveying fluid. The study has been carried out for conical shells of different cone angles and for boundary condition like clamped-clamped, simply supported and clamped free. In general, instability occurs at a critical fluid velocity corresponding to the shell circumferential mode with the lowest natural frequency. Critical fluid velocities are lower than that of equivalent cylindrical shells. This result holds good for all boundary conditions.

  20. Strength Calculation of Locally Loaded Orthotropic Shells

    Directory of Open Access Journals (Sweden)

    Yu. I. Vinogradov

    2015-01-01

    Full Text Available The article studies laminated orthotropic cylindrical, conic, spherical, and toroidal shells, which are often locally loaded in the aircraft designs over small areas of their surfaces.The aim of this work is to determine stress concentration in shells versus structure of orthotropic composite material, shell form and parameters, forms of loading areas, which borders do not coincide with lines of main curvatures of shells. For this purpose, an analytical computing algorithm to estimate strength of shells in terms of stress is developed. It enables us to have solution results of the boundary value problem with a controlled error. To solve differential equations an analytical method is used. An algorithm of the boundary value problem solution is multiplicative.The main results of researches are graphs of stress concentration in the orthotropic shells versus their parameters and areas of loading lineated by circles and ellipses.Among the other works aimed at determination of stress concentration in shells, the place of this one is defined by the analytical solution of applied problems for strength estimation in terms of shell stresses of classical forms.The developed effective analytical algorithm to solve the boundary value problem and received results are useful in research and development.

  1. Intershell correlations in photoionization of outer shells

    Energy Technology Data Exchange (ETDEWEB)

    Amusia, M.Ya. [The Racah Institute of Physics, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel); A.F. Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russian Federation); Chernysheva, L.V. [A.F. Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russian Federation); Drukarev, E.G. [National Research Center “Kurchatov Institute”, Konstantinov Petersburg Nuclear Physics Institute, St. Petersburg 188300 (Russian Federation)

    2016-02-15

    We demonstrate that the cross sections for photoionization of the outer shells are noticeably modified at the photon energies close to the thresholds of ionization of the inner shells due to correlations with the latter. The correlations may lead to increase or to decrease of the cross sections just above the ionization thresholds.

  2. Microsoft Exchange Server PowerShell cookbook

    CERN Document Server

    Andersson, Jonas

    2015-01-01

    This book is for messaging professionals who want to build real-world scripts with Windows PowerShell 5 and the Exchange Management Shell. If you are a network or systems administrator responsible for managing and maintaining Exchange Server 2013, you will find this highly useful.

  3. Collapsing spherical null shells in general relativity

    Directory of Open Access Journals (Sweden)

    S Khakshournia

    2011-03-01

    Full Text Available In this work, the gravitational collapse of a spherically symmetric null shell with the flat interior and a charged Vaidya exterior spacetimes is studied. There is no gravitational impulsive wave present on the null hypersurface which is shear-free and contracting. It follows that there is a critical radius at which the shell bounces and starts expanding.

  4. Aqueous Synthesis and Characterization of CdSe/ZnO Core-Shell Nanoparticles

    Directory of Open Access Journals (Sweden)

    B. P. Rakgalakane

    2011-01-01

    Full Text Available Core-shell nanomaterials based on CdSe as the core and ZnO as the shell were prepared using an aqueous route involving the use of Cd salt and NaBH4 in reaction with Se to generate CdSe in the presence of thioglycerol (TG as a stabilizer. ZnO has been prepared at pH 12 using stronger base such as NaOH at lower concentration and by varying amounts of Zn2+ ions ranging from 2.5, 5, 25 mL, and 50 mL to prepare core-shell nanomaterials. The absorption and emission spectral features are dominated by CdSe nanoparticles with typical shift in the emission maxima red-shifted in relation to the band edges. There is an observable change in the band edge from the core as the amount of ZnO is increased. The TEM features showed the formation of the core-shell from the volume of 5 mL which is indicated by the thin layer of shell on the surface of the CdSe core.

  5. Alphanumerical classification for the subject files of the department of documentation of the Atomic Energy Commission; Classification alpha-numerique pour le fichier matieres du service de documentation du Commissariat a l'Energie Atomique

    Energy Technology Data Exchange (ETDEWEB)

    Braffort, P.; Iung, J. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1956-07-01

    The research activities of the Atomic Energy Commission cover a large variety of different subjects from theoretical physics and nuclear physics to biology, medicine or geology. Thus, about 350 scientific reviews are received and presented in the library. All those documents need to be classified to make the research of information easier for researchers. It describes the classification and codification of such a large quantity of documents. The classification uses a bidimensional system with 5 columns with inter-scale phenomena, corpuscular scale, nuclear scale, atomic and molecular scale and macroscopic scale as subject and 5 lines with theoretical problems, production, measurement, description and utilisation as topic. Some of the rules are given and examples are presented. (M.P.)

  6. Faraday Wave Turbulence on a Spherical Liquid Shell

    Science.gov (United States)

    Holt, R. Glynn; Trinh, Eugene H.

    1996-01-01

    Millimeter-radius liquid shells are acoustically levitated in an ultrasonic field. Capillary waves are observed on the shells. At low energies (minimal acoustic amplitude, thick shell) a resonance is observed between the symmetric and antisymmetric thin film oscillation modes. At high energies (high acoustic pressure, thin shell) the shell becomes fully covered with high-amplitude waves. Temporal spectra of scattered light from the shell in this regime exhibit a power-law decay indicative of turbulence.

  7. Structural Evolution of Core-Shell Gold Nanoclusters: Aun(-) (n = 42-50).

    Science.gov (United States)

    Pande, Seema; Huang, Wei; Shao, Nan; Wang, Lei-Ming; Khetrapal, Navneet; Mei, Wai-Ning; Jian, Tian; Wang, Lai-Sheng; Zeng, Xiao Cheng

    2016-11-22

    Gold nanoclusters have attracted great attention in the past decade due to their remarkable size-dependent electronic, optical, and catalytic properties. However, the structures of large gold clusters are still not well-known because of the challenges in global structural searches. Here we report a joint photoelectron spectroscopy (PES) and theoretical study of the structural evolution of negatively charged core-shell gold nanoclusters (Aun(-)) for n = 42-50. Photoelectron spectra of size-selected Aun(-) clusters are well resolved with distinct spectral features, suggesting a dominating structural type. The combined PES data and density functional calculations allow us to systematically identify the global minimum or candidates of the global minima of these relatively large gold nanoclusters, which are found to possess low-symmetry structures with gradually increasing core sizes. Remarkably, the four-atom tetrahedral core, observed first in Au33(-), continues to be highly robust and is even present in clusters as large as Au42(-). Starting from Au43(-), a five-atom trigonal bipyramidal core appears and persists until Au47(-). Au48(-) possesses a six-atom core, while Au49(-) and Au50(-) feature seven- and eight-atom cores, respectively. Notably, both Au46(-) and Au47(-) contain a pyramidal Au20 motif, which is stacked with another truncated pyramid by sharing a common 10-atom triangular face. The present study sheds light on our understanding of the structural evolution of the medium-sized gold nanoclusters, the shells and core as well as how the core-shell structures may start to embrace the golden pyramid (bulk-like) fragment.

  8. A peridynamic theory for linear elastic shells

    CERN Document Server

    Chowdhury, Shubhankar Roy; Roy, Debasish; Reddy, J N

    2015-01-01

    A state-based peridynamic formulation for linear elastic shells is presented. The emphasis is on introducing, possibly for the first time, a general surface based peridynamic model to represent the deformation characteristics of structures that have one physical dimension much smaller than the other two. A new notion of curved bonds is exploited to cater for force transfer between the peridynamic particles describing the shell. Starting with the three dimensional force and deformation states, appropriate surface based force, moment and several deformation states are arrived at. Upon application on the curved bonds, such states beget the necessary force and deformation vectors governing the motion of the shell. Correctness of our proposal on the peridynamic shell theory is numerically assessed against static deformation of spherical and cylindrical shells and flat plates.

  9. Structural shell analysis understanding and application

    CERN Document Server

    Blaauwendraad, Johan

    2014-01-01

    The mathematical description of the properties of a shell is much more elaborate than those of beam and plate structures. Therefore many engineers and architects are unacquainted with aspects of shell behaviour and design, and are not familiar with sufficiently reliable shell theories for the different shell types as derived in the middle of the 20th century. Rather than contributing to theory development, this university textbook focuses on architectural and civil engineering schools. Of course, practising professionals will profit from it as well. The book deals with thin elastic shells, in particular with cylindrical, conical and spherical types, and with elliptic and hyperbolic paraboloids. The focus is on roofs, chimneys, pressure vessels and storage tanks. Special attention is paid to edge bending disturbance zones, which is indispensable knowledge in FE meshing. A substantial part of the book results from research efforts in the mid 20th century at Delft University of Technology. As such, it is a valua...

  10. Variability in shell models of GRBs

    Science.gov (United States)

    Sumner, M. C.; Fenimore, E. E.

    1997-01-01

    Many cosmological models of gamma-ray bursts (GRBs) assume that a single relativistic shell carries kinetic energy away from the source and later converts it into gamma rays, perhaps by interactions with the interstellar medium or by internal shocks within the shell. Although such models are able to reproduce general trends in GRB time histories, it is difficult to reproduce the high degree of variability often seen in GRBs. The authors investigate methods of achieving this variability using a simplified external shock model. Since the model emphasizes geometric and statistical considerations, rather than the detailed physics of the shell, it is applicable to any theory that relies on relativistic shells. They find that the variability in GRBs gives strong clues to the efficiency with which the shell converts its kinetic energy into gamma rays.

  11. Development of asymptotic methods for the study of interactions between cold atoms: determination of scattering lengths of sodium and cesium; Developpement de methodes asymptotiques pour l'etude des interactions entre atomes froids: determination de longueurs de diffusion du sodium et du cesium

    Energy Technology Data Exchange (ETDEWEB)

    T' Jampens, B

    2002-12-15

    Precise knowledge of cold-atom collision properties is essential for the studies of Bose-Einstein condensation or cold molecule formation. In such experiments, the interaction mainly occurs at rather large interatomic distance, in the so-called asymptotic region. We have developed a purely asymptotic method which allows us to fully describe the collision properties of cold alkali atoms without using the inner part of the molecular potentials, which is often known with a poor precision. The key point of the method is the setting of nodal lines, which are the lines connecting the nodes of successive radial wavefunctions near the ground state threshold. Within the framework of Born-Oppenheimer approximation, computing such nodal lines, by numerical integration of the radial Schroedinger equation in the asymptotic region only, provides a very simple way to derive scattering lengths from observed bound level positions. The method has been extended to the multichannel case and appears now as a genuine parametric method, in which a few parameters (some chosen nodal lines) replace the inner part of the potentials. These nodal lines are used as fitting parameters, which are adjusted on experimental results. Once these parameters have been determined, any collision property such as scattering lengths, clock shifts or magnetic field induced Feshbach resonances can be deduced in principle. This method has been applied to obtain the collision properties of ultracold sodium and cesium atoms. (author)

  12. Stability of core-shell nanowires in selected model solutions

    Science.gov (United States)

    Kalska-Szostko, B.; Wykowska, U.; Basa, A.; Zambrzycka, E.

    2015-03-01

    This paper presents the studies of stability of magnetic core-shell nanowires prepared by electrochemical deposition from an acidic solution containing iron in the core and modified surface layer. The obtained nanowires were tested according to their durability in distilled water, 0.01 M citric acid, 0.9% NaCl, and commercial white wine (12% alcohol). The proposed solutions were chosen in such a way as to mimic food related environment due to a possible application of nanowires as additives to, for example, packages. After 1, 2 and 3 weeks wetting in the solutions, nanoparticles were tested by Infrared Spectroscopy, Atomic Absorption Spectroscopy, Transmission Electron Microscopy and X-ray diffraction methods.

  13. Characterisation of Co@Fe3O4 core@shell nanoparticles using advanced electron microscopy

    Science.gov (United States)

    Knappett, Benjamin R.; Abdulkin, Pavel; Ringe, Emilie; Jefferson, David A.; Lozano-Perez, Sergio; Rojas, T. Cristina; Fernández, Asunción; Wheatley, Andrew E. H.

    2013-06-01

    Cobalt nanoparticles were synthesised via the thermal decomposition of Co2(CO)8 and were coated in iron oxide using Fe(CO)5. While previous work focused on the subsequent thermal alloying of these nanoparticles, this study fully elucidates their composition and core@shell structure. State-of-the-art electron microscopy and statistical data processing enabled chemical mapping of individual particles through the acquisition of energy-filtered transmission electron microscopy (EFTEM) images and detailed electron energy loss spectroscopy (EELS) analysis. Multivariate statistical analysis (MSA) has been used to greatly improve the quality of elemental mapping data from core@shell nanoparticles. Results from a combination of spatially resolved microanalysis reveal the shell as Fe3O4 and show that the core is composed of oxidatively stable metallic Co. For the first time, a region of lower atom density between the particle core and shell has been observed and identified as a trapped carbon residue attributable to the organic capping agents present in the initial Co nanoparticle synthesis.Cobalt nanoparticles were synthesised via the thermal decomposition of Co2(CO)8 and were coated in iron oxide using Fe(CO)5. While previous work focused on the subsequent thermal alloying of these nanoparticles, this study fully elucidates their composition and core@shell structure. State-of-the-art electron microscopy and statistical data processing enabled chemical mapping of individual particles through the acquisition of energy-filtered transmission electron microscopy (EFTEM) images and detailed electron energy loss spectroscopy (EELS) analysis. Multivariate statistical analysis (MSA) has been used to greatly improve the quality of elemental mapping data from core@shell nanoparticles. Results from a combination of spatially resolved microanalysis reveal the shell as Fe3O4 and show that the core is composed of oxidatively stable metallic Co. For the first time, a region of lower atom

  14. Food supply and seawater pCO2 impact calcification and internal shell dissolution in the blue mussel Mytilus edulis.

    Directory of Open Access Journals (Sweden)

    Frank Melzner

    Full Text Available Progressive ocean acidification due to anthropogenic CO(2 emissions will alter marine ecosystem processes. Calcifying organisms might be particularly vulnerable to these alterations in the speciation of the marine carbonate system. While previous research efforts have mainly focused on external dissolution of shells in seawater under saturated with respect to calcium carbonate, the internal shell interface might be more vulnerable to acidification. In the case of the blue mussel Mytilus edulis, high body fluid pCO(2 causes low pH and low carbonate concentrations in the extrapallial fluid, which is in direct contact with the inner shell surface. In order to test whether elevated seawater pCO(2 impacts calcification and inner shell surface integrity we exposed Baltic M. edulis to four different seawater pCO(2 (39, 142, 240, 405 Pa and two food algae (310-350 cells mL(-1 vs. 1600-2000 cells mL(-1 concentrations for a period of seven weeks during winter (5°C. We found that low food algae concentrations and high pCO(2 values each significantly decreased shell length growth. Internal shell surface corrosion of nacreous ( = aragonite layers was documented via stereomicroscopy and SEM at the two highest pCO(2 treatments in the high food group, while it was found in all treatments in the low food group. Both factors, food and pCO(2, significantly influenced the magnitude of inner shell surface dissolution. Our findings illustrate for the first time that integrity of inner shell surfaces is tightly coupled to the animals' energy budget under conditions of CO(2 stress. It is likely that under food limited conditions, energy is allocated to more vital processes (e.g. somatic mass maintenance instead of shell conservation. It is evident from our results that mussels exert significant biological control over the structural integrity of their inner shell surfaces.

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

    OpenAIRE

    Deltuva, A.

    2012-01-01

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

  16. Lifetime broadening of atomic lines produced upon ultrafast dissociation of HCl and HBr

    Energy Technology Data Exchange (ETDEWEB)

    Lablanquie, P., E-mail: pascal.lablanquie@upmc.fr [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Iwayama, H. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Penent, F. [Sorbonne Universités, UPMC Univ Paris 06, LCPMR, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); CNRS, LCPMR (UMR 7614), 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Soejima, K. [Department of Environmental Science, Niigata University, Niigata 950-2181 (Japan); Shigemasa, E. [UVSOR Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan)

    2014-08-15

    Highlights: • Ultrafast dissociation of HCl is triggered by 2p{sub 3/2} → σ* excitation. • Ultrafast dissociation of HBr is triggered by 3d{sub 5/2} → σ* excitation. • Photoelectron spectroscopy reveals sharp vibrational molecular lines and broad atomic lines. • The profiles of the atomic lines are analyzed in detail. • We extract the lifetime of the inner shell hole in the neutral atomic fragment. - Abstract: Ultrafast dissociation of the HCl and HBr molecules excited respectively to the 2p{sub 3/2} → σ* and 3d{sub 5/2} → σ* resonances are studied with high resolution photoelectron spectroscopy. Sharp vibrational molecular lines and broad atomic lines are observed. The analysis of the profile of the atomic lines gives access to the lifetimes of the inner shell 2p{sub 3/2} hole in the Cl* (2p{sub 3/2}){sup −1} 3s{sup 2}3p{sup 6} configuration, and the inner shell 3d{sub 5/2} hole in the Br* (3d{sub 5/2}){sup −1} 4s{sup 2}4p{sup 6} configuration.

  17. Tunneling spectroscopy of multi-shell carbon fullerenes

    Science.gov (United States)

    Doore, Keith; Cook, Matt; Clausen, Eric; Kidd, Tim; Ye, Zhipeng; Ye, Gaihua; He, Rui; Stollenwerk, Andrew

    Carbon allotropes such as fullerenes and nanotubes have generated considerable interest due possible exploitation of their mechanical and electrical properties for practical applications. Carbon onions are a type of fullerene consisting of multiple spherically concentric shells of curved graphitic sheets. Compared to single-shell fullerenes, few studies have been directed toward understanding the structural and electrical properties of carbon onions. Because carbon onions have proven difficult to fabricate in a controlled method, most of these studies have focused on synthesis methods. In this study, we investigate the electrical properties of carbon onions using a scanning tunneling microscope. Carbon onions were fabricated using ultrasonic agitation to break down isopropanol facilitated by a MoS2 catalyst. Particles suspended in the remaining solution were deposited onto atomically flat HOPG substrates. Scanning tunneling spectroscopy indicate that carbon onions can exhibit both metallic and semiconducting properties, similar to carbon nanotubes. This work was supported in part by the National Science Foundation, Grants No. DMR-1206530 and No. DMR-1410496.

  18. Stability of the Regular Hayward Thin-Shell Wormholes

    CERN Document Server

    Sharif, M

    2016-01-01

    The aim of this paper is to construct regular Hayward thin-shell wormholes and analyze their stability. We adopt Israel formalism to calculate surface stresses of the shell and check the null and weak energy conditions for the constructed wormholes. It is found that the stress-energy tensor components violate the null and weak energy conditions leading to the presence of exotic matter at the throat. We analyze the attractive and repulsive characteristics of wormholes corresponding to $a^r>0$ and $a^r<0$, respectively. We also explore stability conditions for the existence of traversable thin-shell wormholes with arbitrarily small amount of fluids describing cosmic expansion. We find that the spacetime has non-physical regions which give rise to event horizon for $0l=0.9$. It is concluded that the Hayward and Van ...

  19. Ab initio effective core potentials including relativistic effects and their application to the electronic structure calculations of heavy atoms and molecules

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Y.S.

    1977-11-01

    The effects of the 4f shell of electrons and the relativity of valence electrons are compared. The effect of 4f shell (lanthanide contraction) is estimated from the numerical Hartree-Fock (HF) calculations of pseudo-atoms corresponding to Hf, Re, Au, Hg, Tl, Pb and Bi without 4f electrons and with atomic numbers reduced by 14. The relativistic effect estimated from the numerical Dirac-Hartree-Fock (DHF) calculations of those atoms is comparable in the magnitude with that of the 4f shell of electrons. Both are larger for 6s than for 5d or 6p electrons. The various relativistic effects on valence electrons are discussed in detail to determine the proper level of the approximation for the valence electron calculations of systems with heavy elements. An effective core potential system has been developed for heavy atoms in which relativistic effects are included in the effective potentials.

  20. Electron-induced desorption of europium atoms from oxidized tungsten surface: concentration dependence of low-energy peak

    CERN Document Server

    Davydov, S Y

    2002-01-01

    One discusses nature of electron induced desorption of Eu sup 0 europium atoms under E sub e irradiating electron low-energies (approx 30 eV) and peculiarities of yield dependence of Eu sup 0 atoms on their concentration at oxidized tungsten surface. Primary act of vacancy origination in europium adatom inner 5p-shell turned to be the determining stage. Evaluations have shown that just the first of two possible scenarios of ionization (electron intra-atomic to Eu adatom external quasi-level or realise of knocked out electron into vacuum) leads to Eu sup 0 desorption. One determined concentration threshold for yield of Eu sup 0 atoms