Sample records for atomic shells m

  1. Atomic inner-shell transitions (United States)

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


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

  2. Extraordinary N atom tunneling in formation of InN shell layer on GaN nanorod m-plane sidewall. (United States)

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


    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.

  3. Atomic force microscopy of virus shells. (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


    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.

  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. (United States)

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


    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. Atomic force microscopy of virus shells. (United States)

    de Pablo, Pedro J


    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.

  6. 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


    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

  7. 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


    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.

  8. Average M shell fluorescence yields for elements with 70≤Z≤92

    Energy Technology Data Exchange (ETDEWEB)

    Kahoul, A., E-mail: [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)


    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.

  9. 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 ...

  10. 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 ...

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

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder


    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....

  12. 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 ...

  13. 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: [All-Russian Research Institute of Automatics (Russian Federation); Tchuvil’sky, Yu. M. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)


    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.

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

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas


    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...

  15. Sub-nanometer dimensions control of core/shell nanoparticles prepared by atomic layer deposition. (United States)

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


    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.

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

    CERN Document Server

    Ballance, Connor P


    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...

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

    Directory of Open Access Journals (Sweden)

    Yuhan Sun


    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.

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

    CERN Document Server

    Novikov, S A


    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.

  19. 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.


    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)

  20. 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


    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.)

  1. 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)


    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)

  2. Study of the K shell photoelectric parameters of Dy, Yb and W atoms using low energy bremsstrahlung radiation (United States)

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


    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.

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

    CERN Document Server

    Yerokhin, V A; Fritzsche, S


    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.

  4. Accurate evaluation of magnetic coupling between atoms with numerous open shells: An ab initio method (United States)

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


    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.

  5. Shannon entropies and Fisher information of K-shell electrons of neutral atoms (United States)

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


    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.

  6. 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)


    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.

  7. 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.


    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.

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

    Cruz, Renato; Weissmüller, Gilberto; Farina, Marcos


    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.

  9. Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity. (United States)

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


    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.

  10. Polymer-inorganic core-shell nanofibers by electrospinning and atomic layer deposition: flexible nylon-ZnO core-shell nanofiber mats and their photocatalytic activity. (United States)

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


    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.

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

    KAUST Repository

    Nie, Anmin


    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.

  12. Shell


    Harper, Catherine


    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...

  13. 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: [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)


    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}.

  14. Temperature determination using Kalpha spectra from M -shell Ti ions. (United States)

    Hansen, S B; Faenov, A Ya; Pikuz, T A; Fournier, K B; Shepherd, R; Chen, H; Widmann, K; Wilks, S C; Ping, Y; Chung, H K; Niles, A; Hunter, J R; Dyer, G; Ditmire, T


    The compact multipulse terawatt (COMET) laser facility at LLNL was used to irradiate Al-coated 2-50 microm Ti foils with approximately 10(19) W cm(-2) , 500 fs, 3-6 J laser pulses. Laser-plasma interactions on the front side of the target generate hot electrons with sufficient energy to excite inner-shell electrons in Ti, creating Kalpha emission which has been measured using a focusing spectrometer with spatial resolution aimed at the back surface of the targets. The spatial extent of the emission varies with target thickness. The high spectral resolution (lambda/Deltalambda approximately equal to 3800) is sufficient to measure broadening of the Kalpha emission feature due to the emergence of blueshifted satellites from ionized Ti in a heated region of the target. A self-consistent-field model is used to spectroscopically diagnose thermal electron temperatures up to 40 eV in the strongly coupled Ti plasmas.

  15. Core-shell structured mZVI/Ca(OH)2 particle: Morphology, aggregation and corrosion. (United States)

    Wei, Cai-Jie; Wang, Xiao-Mao; Li, Xiao-Yan


    A calcium hydroxide shell was coated onto the surface of micro-sized zero valent iron (mZVI) particles by hydrothermal approach in oversaturated Ca(OH)2 solution. The heterogeneous nucleation of nano-scale Ca(OH)2 particle on micro-scale spherical ZVI surface was clearly observed by scanning electronic microscope (SEM). The moderate solubility of Ca(OH)2 was demonstrated as the crucial factor in inducing slow nucleation rate and in facilitating the abundant growth of Ca(OH)2 nuclei on mZVI surface. The growth of shell thickness was found to obey the zero order kinetics with the rate constant at about 15nm/h. The Ca(OH)2 shell was demonstrated to be anticorrosive to protect reactive Fe0 from oxidation based on standard corrosion test. In addition, the instant aggregation process of mZVI within 120s was slowed down after Ca(OH)2 shell coating. The saturation magnetization of mZVI, measured by a vibrating sample magnetometer (VSM), was gradually diminished along with the shell formation with a 32% reduction after excluding the Fe0 content change effect. This indicated that Ca(OH)2 shell coating can partially eliminated particle-particle or cluster-cluster magnetic attraction force to enhance the dispersion stability and resultantly facilitate the transportation. The dissolution of Ca(OH)2 shell was greatly dependent on the pH value of the background water environment. The pH gradient change resulted from the Ca(OH)2 shell dissolution along mZVI particle transport was illustrated by a conceptual model. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. 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)


    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.

  17. Design and characterization of core-shell mPEG-PLGA composite microparticles for development of cell-scaffold constructs

    DEFF Research Database (Denmark)

    Wen, Yanhong; Gallego, Monica Ramos; Nielsen, Lene Feldskov


    Appropriate scaffolds capable of providing suitable biological and structural guidance are of great importance to generate cell-scaffold constructs for cell-based tissue engineering. The aim of the present study was to develop composite microparticles with a structure to provide functionality...... as a combined drug delivery/scaffold system. Composite microparticles were produced by incorporating either alginate/dermatan sulfate (Alg/DS) or alginate/chitosan/dermatan sulfate (Alg/CS/DS) particles in mPEG-PLGA microparticles using coaxial ultrasonic atomization. The encapsulation and distribution of Alg....../DS or Alg/CS/DS particles in the mPEG-PLGA microparticles were significantly dependent on the operating conditions, including the flow rate ratio (Qout/Qin) and the viscosity of the polymer solutions (Vout, Vin) between the outer and the inner feeding channels. The core-shell composite microparticles...

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

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


    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.

  19. Note on a thin-shell wormhole in extremal Reissner-Nordström geometry (United States)

    Mazharimousavi, S. Habib; Halilsoy, M.

    We show that the cold near horizon of the extremal Reissner-Nordström can be considered as the throat of a thin-shell wormhole with arbitrarily small exotic matter and positive angular pressure. Such a wormhole is physical and stable against radial perturbations provided an appropriate perfect fluid exists at the throat.

  20. Nanostructured hybrid shells of r-GO/AuNP/m-TiO₂ as highly active photocatalysts. (United States)

    Wang, Minggui; Han, Jie; Xiong, Huixin; Guo, Rong; Yin, Yadong


    Nanostructured hybrid shells of r-GO/AuNP/m-TiO2 were synthesized using SiO2 spheres as templates, followed by graphene oxide (GO) and Au nanoparticle (AuNP) deposition and TiO2 coating, and then post-treatments of template removal and calcination. Evaluation of their photocatalytic activity by degradation of Rhodamine B (RhB) under the irradiation of UV, visible light, and simulated daylight demonstrated the superior photocatalytic performance of the sandwich-like hollow hybrid shells, which could be attributed to the porous nature of the hybrid shells and the enhanced charge separation and visible-light absorption of r-GO and AuNPs.

  1. Atomic structure and thermal stability of Pt-Fe bimetallic nanoparticles: from alloy to core/shell architectures. (United States)

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


    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.

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

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


    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

  3. Gamow-Teller and M1 strengths in closed-shell nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Adachi, S.; Lipparini, E.; Nguyen Van Giai


    We study the transition strengths induced by the operators sigma, sigmaxtau, lxtau and their combinations in the closed-shell nuclei /sup 16/O and /sup 40/Ca. The total inverse energy-weighted and energy-weighted strengths are calculated in perturbation theory. The results are discussed in connection with the available data. A large amount of Gamow-Teller and M1 strength is predicted at high excitation energies.

  4. 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: [Russian Academy of Sciences, Keldysh Institute of Applied Mathematics (Russian Federation)


    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.

  5. 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: [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)


    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.

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

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


    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.

  7. 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


    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).

  8. 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 (United States)

    Cipolla, Sam J.


    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: Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, 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

  9. 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, ...

  10. On-shell constrained $M_2$ variables with applications to mass measurements and topology disambiguation

    CERN Document Server

    Cho, Won Sang; Kim, Doojin; Matchev, Konstantin T.; Moortgat, Filip; Pape, Luc; Park, Myeonghun


    We consider a class of on-shell constrained mass variables that are 3+1 dimensional generalizations of the Cambridge $M_{T2}$ variable and that automatically incorporate various assumptions about the underlying event topology. The presence of additional on-shell constraints causes their kinematic distributions to exhibit sharper endpoints than the usual $M_{T2}$ distribution. We study the mathematical properties of these new variables, e.g., the uniqueness of the solution selected by the minimization over the invisible particle 4-momenta. We then use this solution to reconstruct the masses of various particles along the decay chain. We propose several tests for validating the assumed event topology in missing energy events from new physics. The tests are able to determine: 1) whether the decays in the event are two-body or three-body, 2) if the decay is two-body, whether the intermediate resonances in the two decay chains are the same, and 3) the exact sequence in which the visible particles are emitted from ...

  11. Epitaxial Growth of Multimetallic Pd@PtM (M = Ni, Rh, Ru) Core-Shell Nanoplates Realized by in Situ-Produced CO from Interfacial Catalytic Reactions. (United States)

    Yan, Yucong; Shan, Hao; Li, Ge; Xiao, Fan; Jiang, Yingying; Yan, Youyi; Jin, Chuanhong; Zhang, Hui; Wu, Jianbo; Yang, Deren


    Pt-based multimetallic core-shell nanoplates have received great attention as advanced catalysts, but the synthesis is still challenging. Here we report the synthesis of multimetallic Pd@PtM (M = Ni, Rh, Ru) nanoplates including Pd@Pt nanoplates, in which Pt or Pt alloy shells with controlled thickness epitaxially grow on plate-like Pd seeds. The key to achieve high-quality Pt-based multimetallic nanoplates is in situ generation of CO through interfacial catalytic reactions associated with Pd nanoplates and benzyl alcohol. In addition, the accurate control in a trace amount of CO is also of great importance for conformal growth of multimetallic core-shell nanoplates. The Pd@PtNi nanoplates exhibit substantially improved activity and stability for methanol oxidation reaction (MOR) compared to the Pd@Pt nanoplates and commercial Pt catalysts due to the advantages arising from plate-like, core-shell, and alloy structures.

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

    Energy Technology Data Exchange (ETDEWEB)

    Babanov, Yu.A., E-mail: [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)


    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.

  13. Atomically thin Pt shells on Au nanoparticle cores: facile synthesis and efficient synergetic catalysis

    DEFF Research Database (Denmark)

    Engelbrekt, Christian; Seselj, Nedjeljko; Poreddy, Raju


    in electrooxidation of sustainable fuels (i.e. formic acid, methanol and ethanol), and selective hydrogenation of benzene derivatives. Especially high activity was achieved for formic acid oxidation, 549 mA (mgPt)−1 (at 0.6 V vs. SCE), which is 3.5 fold higher than a commercial catalyst. Excellent...... activity for the direct production of γ-valerolactone, an alternative biofuel/fuel additive, from levulinic acid and methyl levulinate was finally demonstrated....

  14. A novel core–shell nanocomposite Ni–Ca@mSiO{sub 2} for benzophenone selective hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Han, Xue; Feng, Wenhui; Chu, Xiaoning; Chu, Hailong; Niu, Libo; Bai, Guoyi, E-mail: [Hebei University, Key Laboratory of Chemical Biology of Hebei Province, College of Chemistry and Environmental Science (China)


    A novel core–shell nanocomposite Ni–Ca@mSiO{sub 2} was first prepared by a modified Stöber method in this paper. It has a core–shell structure with Ni (about 8 nm in diameter) and Ca as the cores and mesoporous silica as the outer shell, as proven by the transmission electron microscopy. This nanocomposite exhibited good catalytic performance in the selective hydrogenation of benzophenone, with 96.1% conversion and 94.9% selectivity for benzhydrol under relatively mild reaction conditions. It was demonstrated that addition of small amounts of alkaline Ca can not only markedly improve the dispersion of the active species but also tune the acid–base property of this nanocomposite, resulting in the efficient suppression of benzhydrol dehydration to achieve a high selectivity. Furthermore, the core–shell nanocomposite Ni–Ca@mSiO{sub 2} can be recycled four runs without appreciable loss of its initial activity, more stable than the traditional supported nanocatalyst Ni–Ca/mSiO{sub 2}. It was suggested that the outer mesoporous silica shell of Ni–Ca@mSiO{sub 2} can prevent both the aggregation and the leaching of the active Ni species, accounting for its relatively good stability.

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

    KAUST Repository

    Wang, Ruiqi


    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.

  16. Wooden shell of M2-F1 being assembled at El Mirage (United States)


    Wooden shell of the M2-F1 being assembled at El Mirage, CA. While Flight Research Center technicians built the internal steel structure of the M2-F1, sailplane builder Gus Briegleb built the vehicle's outer wooden shell. Its skin was 3/32-inch mahogany plywood, with 1/8-inch mahogany rib sections reinforced with spruce. The wingless, lifting body aircraft design was initially conceived as a means of landing an aircraft horizontally after atmospheric reentry. The absence of wings would make the extreme heat of re-entry less damaging to the vehicle. In 1962, Dryden management approved a program to build a lightweight, unpowered lifting body as a prototype to flight test the wingless concept. It would look like a 'flying bathtub,' and was designated the M2-F1, the 'M' referring to 'manned' and 'F' referring to 'flight' version. It featured a plywood shell placed over a tubular steel frame crafted at Dryden. Construction was completed in 1963. The first flight tests of the M2-F1 were over Rogers Dry Lake at the end of a tow rope attached to a hopped-up Pontiac convertible driven at speeds up to about 120 mph. This vehicle needed to be able to tow the M2-F1 on the Rogers Dry Lakebed adjacent to NASA's Flight Research Center (FRC) at a minimum speed of 100 miles per hour. To do that, it had to handle the 400-pound pull of the M2-F1. Walter 'Whitey' Whiteside, who was a retired Air Force maintenance officer working in the FRC's Flight Operations Division, was a dirt-bike rider and hot-rodder. Together with Boyden 'Bud' Bearce in the Procurement and Supply Branch of the FRC, Whitey acquired a Pontiac Catalina convertible with the largest engine available. He took the car to Bill Straup's renowned hot-rod shop near Long Beach for modification. With a special gearbox and racing slicks, the Pontiac could tow the 1,000-pound M2-F1 110 miles per hour in 30 seconds. It proved adequate for the roughly 400 car tows that got the M2-F1 airborne to prove it could fly safely and to

  17. 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: [Dicle University, Faculty of Science, Department of Physics, Diyarbakir, 21280 Turkey (Turkey); Aydeniz, D., E-mail: [Artuklu University, At Rectorate of Artuklu University, Mardin (Turkey)


    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 86atom impact studies.

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


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

    CERN Document Server

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


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

  20. Hafnium to thorium M-shell X-ray production cross sections by proton impact

    Directory of Open Access Journals (Sweden)

    B. Deghfel


    Full Text Available Theoretical M-shell X-ray production cross sections have been calculated within the ECPSSR model. The semi-empirical cross sections are then deduced by fitting the available experimental data normalized to their corresponding theoretical values for elements with 72 ≤ Z ≤ 90 by proton in the energy range 0.1–4.0 MeV. Also, an analytical formula has been used to calculate the empirical X-ray production cross sections by direct fitting of the same experimental data, which are found to be universal, both for individual and collective fits. On the other hand, based on the individual fitting which gives the reliable cross sections, we attempt to deduce another new empirical cross sections by assuming that the ratio empirical to ECPSSR of the cross sections is roughly the same for all elements. In addition, our results are presented for selected heavy elements, namely 74W, 79Au and 83Bi, being the most extensively studied. Finally, a comparison is made between the different procedures followed here and the experimental data.

  1. TIRGO IR spectrophotometry ((8/13). mu. m) of circumstellar dust shells spectrophotometry. [*R Leo; R Cnc; TZ Cas*

    Energy Technology Data Exchange (ETDEWEB)

    Papoular, R.; Pegourie, B.; Lorenzetti, D.; Saraceno, P.

    We present an investigation of the 10 feature of the giants and supergiants circumstellar shells, based on spectroscopic observations carried out at the TIRGO IR telescope. An analysis of the results, using Mie's theory, gives information about the sizes and the chemical composition of the circumstellar grains. These observations confirm the existence of large grains (proportional2 in circumstellar envelops.

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

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, David D., E-mail:; Crawford, Jagoda; Siegele, Rainer


    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.

  3. 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 (United States)

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


    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.

  4. 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.


    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.

  5. Observation of polariton resonances with five-level M-type atoms in an optical cavity (United States)

    Liu, Yutong; Lin, Gongwei; Ying, Kang; Liang, Lin; Niu, Yueping; Gong, Shangqing


    We study the polariton resonances with the five-level M-type atoms inside an optical cavity through the observation of the cavity transmission spectrum. The ultranarrow peaks associated with the dark-state polaritons in the system can be achieved by adjusting three coupling fields. Simple theory analysis and numerical simulations are also presented.

  6. M0.20–0.033: An Expanding Molecular Shell in the Galactic Center Radio Arc (United States)

    Butterfield, Natalie; Lang, Cornelia C.; Morris, Mark; Mills, Elisabeth A. C.; Ott, Juergen


    We present high-frequency Karl G. Jansky Very Large Array (VLA) continuum and spectral line (NH3, H64α, and H63α) observations of the Galactic Center Radio Arc region, covering the Sickle H II region, the Quintuplet cluster, and molecular clouds M0.20‑0.033 and M0.10‑0.08. These observations show that the two velocity components of M0.20‑0.033 (∼25 and 80 km s‑1), previously thought to be separate clouds along the same line-of-sight, are physically connected in position–velocity space via a third southern component around 50 km s‑1. Further position–velocity analysis of the surrounding region, using lower-resolution survey observations taken with the Mopra and ATCA telescopes, indicates that both molecular components in M0.20‑0.033 are physically connected to the M0.10‑0.08 molecular cloud, which is suggested to be located on stream 1 in the Kruijssen et al. orbital model. The morphology and kinematics of the molecular gas in M0.20‑0.033 indicate that the two velocity components in M0.20‑0.033 constitute an expanding shell. Our observations suggest that the M0.20‑0.033 expanding shell has an expansion velocity of 40 km s‑1, with a systemic velocity of 53 km s‑1, comparable to velocities detected in M0.10‑0.08. The origin of the expanding shell is located near the Quintuplet cluster, suggesting that the energy and momentum output from this massive stellar cluster may have contributed to the expansion.

  7. Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms

    Energy Technology Data Exchange (ETDEWEB)

    Leung, V. Y. F. [Van der Waals-Zeeman Institute, University of Amsterdam, Science Park 904, PO Box 94485, 1090 GL Amsterdam (Netherlands); Complex Photonic Systems (COPS), MESA Institute for Nanotechnology, University of Twente, PO Box 217, 7500 AE Enschede (Netherlands); Pijn, D. R. M.; Schlatter, H.; Torralbo-Campo, L.; La Rooij, A. L.; Mulder, G. B.; Naber, J.; Soudijn, M. L.; Tauschinsky, A.; Spreeuw, R. J. C., E-mail: [Van der Waals-Zeeman Institute, University of Amsterdam, Science Park 904, PO Box 94485, 1090 GL Amsterdam (Netherlands); Abarbanel, C.; Hadad, B.; Golan, E. [Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Be' er Sheva 84105 (Israel); Folman, R. [Department of Physics and Ilse Katz Institute for Nanoscale Science and Technology, Ben-Gurion University of the Negev, Be' er Sheva 84105 (Israel)


    We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold {sup 87}Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

  8. Magnetic-film atom chip with 10 μm period lattices of microtraps for quantum information science with Rydberg atoms. (United States)

    Leung, V Y F; Pijn, D R M; Schlatter, H; Torralbo-Campo, L; La Rooij, A L; Mulder, G B; Naber, J; Soudijn, M L; Tauschinsky, A; Abarbanel, C; Hadad, B; Golan, E; Folman, R; Spreeuw, R J C


    We describe the fabrication and construction of a setup for creating lattices of magnetic microtraps for ultracold atoms on an atom chip. The lattice is defined by lithographic patterning of a permanent magnetic film. Patterned magnetic-film atom chips enable a large variety of trapping geometries over a wide range of length scales. We demonstrate an atom chip with a lattice constant of 10 μm, suitable for experiments in quantum information science employing the interaction between atoms in highly excited Rydberg energy levels. The active trapping region contains lattice regions with square and hexagonal symmetry, with the two regions joined at an interface. A structure of macroscopic wires, cutout of a silver foil, was mounted under the atom chip in order to load ultracold (87)Rb atoms into the microtraps. We demonstrate loading of atoms into the square and hexagonal lattice sections simultaneously and show resolved imaging of individual lattice sites. Magnetic-film lattices on atom chips provide a versatile platform for experiments with ultracold atoms, in particular for quantum information science and quantum simulation.

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

    NARCIS (Netherlands)

    Chen, Qi; Vancso, Gyula J.


    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

  10. Cholestéatome du méat acoustique externe (United States)

    Azeddine, Lachkar; Aabach, Ahmed; Chouai, Mohamed; Elayoubi, Fahd; Ghailan, Mohamed Rachid


    Le cholestéatome du méat acoustique externe se définit comme une accumulation de kératine en regard d’une érosion osseuse de nature ostéitique. C’est une entité otologique rare ou peut diagnostiquée. Le but de notre travail est d’illustrer sur la base d’un cas un cholestéatome du méat acoustique externe. Il s’agit d’un patient âgé de 65 ans diabétique et hypertendu sous traitement, présentant depuis 3 mois une otalgie droite intense, insomniante, avec hypoacousie, otorrhée purulente minime et paralysie faciale droite grade V. Le diagnostic évoqué était dans un premier temps celui d’otite externe maligne. Il a été mis sous traitement antibiotique sans amélioration. L’examen otologique a trouvé une lésion ulcéro-bourgeonnante de la paroi postérieure du méat acoustique externe droit, une biopsie systématique de la lésion a été pratiquée et a conclu à un cholestéatome. Le patient a bénéficié d’une tympanoplastie en technique ouverte. Le cholestéatome du méat acoustique externe est rare, la symptomatologie clinique n’est pas spécifique, le scanner des rocher est d’un grand apport pour le diagnostic positif montrant un cratère osseux du méat acoustique externe. Le traitement dépend de l’extension des lésions allant des simples soins locaux à une tympanoplastie en technique ouverte. Le cholestéatome du méat acoustique externe peut revêtir plusieurs aspects, et prêter confusion avec d’autres pathologies du méat acoustique externe. PMID:28154624

  11. 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


    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.

  12. 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)


    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)

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


    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.

  14. Relativistic effects on the linear polarization and angular distribution of x-ray radiation emitted by inner-shell photoionization of atoms (United States)

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


    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.

  15. A Facile Synthesis of SiO2@Co/mSiO2 Egg-Shell Nanoreactors for Fischer-Tropsch Reaction. (United States)

    Kwon, Jae In; Kim, Tae Wan; Park, Ji Chan; Yang, Jung-Il; Lee, Kwan Young


    Recently, a convenient melt-infiltration method, using a hydrated metal salt with porous support, was developed to prepare various metal/metal-oxide nanocatalysts. Until now, millimeter-scale, bead-shaped, cobalt egg-shell catalysts have been used to enhance the rate of reactant diffusion and catalyst performance. In the present work, new SiO2@Co/mSiO2 egg-shell nanoreactors (~300 nm) were synthesized with controlled Co content of 10 and 20 wt%. This was accomplished using a selective melt-infiltration process with porous silica shells around solid-silica cores. The SiO2@Co(10 wt%)/mSiO2 egg-shell catalyst that bears small cobalt nanoparticles of -2 nm was successfully employed for the industrially valuable Fischer-Tropsch synthesis reaction, showing the high activity of -8.0 x 10(-5) mol(CO) x gCo(-1) x S(-1).

  16. Toward hybrid Au nanorods @ M (Au, Ag, Pd and Pt) core-shell heterostructures for ultrasensitive SERS probes (United States)

    Xie, Xiaobin; Gao, Guanhui; Kang, Shendong; Lei, Yanhua; Pan, Zhengyin; Shibayama, Tamaki; Cai, Lintao


    Being able to precisely control the morphologies of noble metallic nanostructures is of essential significance for promoting the surface-enhanced Raman scattering (SERS) effect. Herein, we demonstrate an overgrowth strategy for synthesizing Au @ M (M = Au, Ag, Pd, Pt) core-shell heterogeneous nanocrystals with an orientated structural evolution and highly improved properties by using Au nanorods as seeds. With the same reaction condition system applied, we obtain four well-designed heterostructures with diverse shapes, including Au concave nanocuboids (Au CNs), Au @ Ag crystalizing face central cube nanopeanuts, Au @ Pd porous nanocuboids and Au @ Pt nanotrepangs. Subsequently, the exact overgrowth mechanism of the above heterostructural building blocks is further analysed via the systematic optimiziation of a series of fabrications. Remarkably, the well-defined Au CNs and Au @ Ag nanopeanuts both exhibit highly promoted SERS activity. We expect to be able to supply a facile strategy for the fabrication of multimetallic heterogeneous nanostructures, exploring the high SERS effect and catalytic activities.

  17. 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. (United States)

    Ebrahimi, Bahram


    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%.

  18. Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions (United States)

    Surzhykov, Andrey; Koval, Peter; Fritzsche, Stephan


    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: 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

  19. Des atomes éphémères, mais exotiques

    CERN Multimedia

    Boucard, Stéphane


    By remplacing, in the atoms, electrons by an other particle, physcists create new, but fleeting buildings. Thanks to these atoms, they explore some parts of subatomic particles and their interactions (6 pages)

  20. Synthesis of well-dispersed layered double hydroxide core@ordered mesoporous silica shell nanostructure (LDH@mSiO₂) and its application in drug delivery. (United States)

    Bao, Haifeng; Yang, Jianping; Huang, Yan; Xu, Zhi Ping; Hao, Na; Wu, Zhangxiong; Lu, Gao Qing Max; Zhao, Dongyuan


    We demonstrate an efficient synthesis of novel layered double hydroxide mesoporous silica core-shell nanostructures (LDH@mSiO(2)) that have a hexagonal MgAl-LDH nanoplate core and an ordered mesoporous silica shell with perpendicularly oriented channels via a surfactant-templating method. Transmission electron microscopy, X-ray diffraction and N(2) sorption analyses confirmed that the obtained nanostructures have uniform accessible mesopores (∼2.2 nm), high surface area (∼430 m(2) g(-1)), and large pore volume (∼0.22 cm(3) g(-1)). Investigations of drug release and bio-imaging showed that this material has a slow release effect of ibuprofen and good biocompatibility. This work provides an economical approach to fabricate LDH@mSiO(2) core-shell nanostructures, which may have great potential in broad drug delivery and hyperthermia therapy applications.

  1. Lead determination at ng/mL level by flame atomic absorption spectrometry using a tantalum coated slotted quartz tube atom trap. (United States)

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


    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

  2. One-pot synthesis of M (M = Ag, Au)@SiO2 yolk-shell structures via an organosilane-assisted method: preparation, formation mechanism and application in heterogeneous catalysis. (United States)

    Chen, Yu; Wang, Qihua; Wang, Tingmei


    We demonstrate the fabrication of yolk-shell catalysts consisting of a single M (M = Ag, Au) nanoparticle encapsulated within a hollow mesoporous organosilica shell via an organosilane-assisted strategy. The advantages of our method lie in its good controllability of the void space as well as the thickness of the mesoporous shell. The M@CTAB/SiO2 synthesized through a modified Stöber method can transform to yolk-shell structures after adding (3-aminopropyl)trimethoxysilane (APTMS)/TEOS or (3-aminopropyl)triethoxysilane (APTES)/TEOS into the synthetic medium. We give unambiguous evidence that the middle CTAB/SiO2 layer transforms into a less dense APTMS-rich organic-inorganic layer which was selectively removed in alkaline aqueous solution, while the amino-functionalized hybrid shells remain intact. Moreover, we discuss the role of alkylamino groups in the shell in the transformation from Ag@SiO2 nanorattles to hollow structures when impregnating the as-synthesized Ag@SiO2 nanorattles in HAuCl4 aqueous solution. The nanorattles also exhibit high catalytic activity for the catalytic reduction of p-nitrophenol.

  3. Synthesis of NiO-TiO2 hybrids/mSiO2 yolk-shell architectures embedded with ultrasmall gold nanoparticles for enhanced reactivity (United States)

    Fang, Jiasheng; Zhang, Yiwei; Zhou, Yuming; Zhao, Shuo; Zhang, Chao; Huang, Mengqiu; Gao, Yan


    Novel NiO-TiO2 hybrids/mSiO2 yolk-shell architectures loaded with ultrasmall Au nanoparticles (STNVS-Au) were developed via the rational synthetic strategy. The hierarchical yolk-shell nanostructures (STNVS) with high surface areas were constructed by a facile ;bottom-up; assembly process using SiO2 materials and polymer resins as cores/shells and sacrificial templates, accompanied by a simple hydrothermal incorporation of NiO into uniform amorphous TiO2 layers that were converted to NiO-anatase TiO2 p-n heterojunction hybrids. Then, numerous sub-3 nm Au nanoparticles were post encapsulated within STNVS nanostructures through the low-temperature hydrogen reduction based on the unique deposition-precipitation method with Au(en)2Cl3 compounds as gold precursors. The NiO-TiO2 hybrids alloying with Au nanoparticles were effectively protected and entrapped within STNVS architectures, and interacted with outer mSiO2-Au shells, which comprised the powerful STNVS-Au yolk-shell nanoreactors and produced stronger configural synergies in enhancing the heterogeneous catalysis. Into catalyzing the reduction of 4-nitrophenol to 4-aminophenol, the STNVS-Au was shown with outstanding activity and reusability, and its pristine morphology was well retained during the recycling process.


    Energy Technology Data Exchange (ETDEWEB)

    Ritchey, Adam M. [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Welty, Daniel E.; York, Donald G. [Department of Astronomy and Astrophysics, University of Chicago, 5640 S. Ellis Ave., Chicago, IL 60637 (United States); Dahlstrom, Julie A., E-mail: [Department of Physics and Astronomy, Carthage College, 2001 Alford Park Dr., Kenosha, WI 53140 (United States)


    We present a comprehensive analysis of interstellar absorption lines seen in moderately high resolution, high signal-to-noise ratio optical spectra of SN 2014J in M82. Our observations were acquired over the course of six nights, covering the period from ∼6 days before to ∼30 days after the supernova reached its maximum B-band brightness. We examine complex absorption from Na I, Ca II, K I, Ca I, CH{sup +}, CH, and CN, arising primarily from diffuse gas in the interstellar medium (ISM) of M82. We detect Li I absorption over a range in velocity consistent with that exhibited by the strongest Na I and K I components associated with M82; this is the first detection of interstellar Li in a galaxy outside of the Local Group. There are no significant temporal variations in the absorption-line profiles over the 37 days sampled by our observations. The relative abundances of the various interstellar species detected reveal that the ISM of M82 probed by SN 2014J consists of a mixture of diffuse atomic and molecular clouds characterized by a wide range of physical/environmental conditions. Decreasing N(Na I)/N(Ca II) ratios and increasing N(Ca I)/N(K I) ratios with increasing velocity are indicative of reduced depletion in the higher-velocity material. Significant component-to-component scatter in the N(Na I)/N(Ca II) and N(Ca I)/N(Ca II) ratios may be due to variations in the local ionization conditions. An apparent anti-correlation between the N(CH{sup +})/N(CH) and N(Ca I)/N(Ca II) ratios can be understood in terms of an opposite dependence on gas density and radiation field strength, while the overall high CH{sup +} abundance may be indicative of enhanced turbulence in the ISM of M82. The Li abundance also seems to be enhanced in M82, which supports the conclusions of recent gamma-ray emission studies that the cosmic-ray acceleration processes are greatly enhanced in this starburst galaxy.

  5. Nucleus Accumbens Shell and mPFC but not Insula Orexin-1 Receptors Promote Excessive Alcohol Drinking

    Directory of Open Access Journals (Sweden)

    Kelly Lei


    Full Text Available Addiction to alcohol remains a major social and economic problem, in part because of the high motivation for alcohol that humans exhibit and the hazardous binge intake this promotes. Orexin-1-type receptors (OX1Rs promote reward intake under conditions of strong drives for reward, including excessive alcohol intake. While systemic modulation of OX1Rs can alter alcohol drinking, the brain regions that mediate this OX1R enhancement of excessive drinking remain unknown. Given the importance of the nucleus accumbens (NAc and anterior insular cortex (aINS in driving many addictive behaviors, including OX1Rs within these regions, we examined the importance of OX1Rs in these regions on excessive alcohol drinking in C57BL/6 mice during limited-access alcohol drinking in the dark cycle. Inhibition of OX1Rs with the widely used SB-334867 within the medial NAc Shell (mNAsh significantly reduced drinking of alcohol, with no effect on saccharin intake, and no effect on alcohol consumption when infused above the mNAsh. In contrast, intra-mNAsh infusion of the orexin-2 receptor TCS-OX2-29 had no impact on alcohol drinking. In addition, OX1R inhibition within the aINS had no effect on excessive drinking, which was surprising given the importance of aINS-NAc circuits in promoting alcohol consumption and the role for aINS OX1Rs in driving nicotine intake. However, OX1R inhibition within the mPFC did reduce alcohol drinking, indicating cortical OXR involvement in promoting intake. Also, in support of the critical role for mNAsh OX1Rs, SB within the mNAsh also significantly reduced operant alcohol self-administration in rats. Finally, orexin ex vivo enhanced firing in mNAsh neurons from alcohol-drinking mice, with no effect on evoked EPSCs or input resistance; a similar orexin increase in firing without a change in input resistance was observed in alcohol-naïve mice. Taken together, our results strongly suggest that OX1Rs within the mNAsh, but not the aINS, play a

  6. A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M1/γ-Al2O3(M=Pd, Fe, Co, and Ni). (United States)

    Yang, Tao; Fukuda, Ryoichi; Hosokawa, Saburo; Tanaka, Tsunehiro; Sakaki, Shigeyoshi; Ehara, Masahiro


    Single-atom catalysts have attracted much interest recently because of their excellent stability, high catalytic activity, and remarkable atom efficiency. Inspired by the recent experimental discovery of a highly efficient single-atom catalyst Pd 1 /γ-Al 2 O 3 , we conducted a comprehensive DFT study on geometries, stabilities and CO oxidation catalytic activities of M 1 /γ-Al 2 O 3 (M=Pd, Fe, Co, and Ni) by using slab-model. One of the most important results here is that Ni 1 /Al 2 O 3 catalyst exhibits higher activity in CO oxidation than Pd 1 /Al 2 O 3 . The CO oxidation occurs through the Mars van Krevelen mechanism, the rate-determining step of which is the generation of CO 2 from CO through abstraction of surface oxygen. The projected density of states (PDOS) of 2 p orbitals of the surface O, the structure of CO-adsorbed surface, charge polarization of CO and charge transfer from CO to surface are important factors for these catalysts. Although the binding energies of Fe and Co with Al 2 O 3 are very large, those of Pd and Ni are small, indicating that the neighboring O atom is not strongly bound to Pd and Ni, which leads to an enhancement of the reactivity of the O atom toward CO. The metal oxidation state is suggested to be one of the crucial factors for the observed catalytic activity.

  7. Enhancement of the oxygen reduction on nitride stabilized pt-M (M=Fe, Co, and Ni) core–shell nanoparticle electrocatalysts

    KAUST Repository

    Kuttiyiel, Kurian A.


    Given the harsh operating conditions in hydrogen/oxygen fuel cells, the stability of catalysts is one of the critical questions affecting their commercialization. We describe a distinct class of oxygen reduction (ORR) core–shell electrocatalysts comprised of nitride metal cores enclosed by thin Pt shells that is easily synthesized. The synthesis is reproducible and amenable to scale up. Our theoretical analysis and the experimental data indicate that metal nitride nanoparticle cores could significantly enhance the ORR activity as well as the durability of the core–shell catalysts as a consequence of combined geometrical, electronic and segregation effects on the Pt shells. In addition to its fuel cells application, this class of catalysts holds promise to significantly contribute in resolving the problem of platinum scarcity and furthermore indicates the guidelines for future research and development.

  8. Are Hadrons Shell-Structured?

    CERN Document Server

    Palazzi, Paolo


    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.

  9. Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sekar, K., E-mail:, E-mail: [Bioinformatics Centre, Indian Institute of Science, Bangalore 560 012 (India); Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560 012 (India); Yogavel, M.; Gayathri, D.; Velmurugan, D. [Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025 (India); Krishna, R. [Bioinformatics Centre, Indian Institute of Science, Bangalore 560 012 (India); Poi, M.-J. [Departments of Chemistry and Biochemistry and the Ohio State Biochemistry Program, The Ohio State University, Columbus, OH 43210 (United States); Dauter, Z.; Dauter, M. [Synchrotron Radiation Research Section, National Cancer Institute, Brookhaven National Laboratory Building, Upton, NY 11973 (United States); Tsai, M.-D. [Departments of Chemistry and Biochemistry and the Ohio State Biochemistry Program, The Ohio State University, Columbus, OH 43210 (United States); Academia Sinica,Taiwan (China); Bioinformatics Centre, Indian Institute of Science, Bangalore 560 012 (India)


    The atomic resolution crystal structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A{sub 2} is reported. The structure of the double mutant K53,56M has previously been refined at 1.9 Å resolution using room-temperature data. The present paper reports the crystal structure of the same mutant K53,56M refined against 1.1 Å data collected using synchrotron radiation. A total of 116 main-chain atoms from 29 residues and 44 side chains are modelled in alternate conformations. Most of the interfacial binding residues are found to be disordered and alternate conformations could be recognized. The second calcium ion-binding site residue Glu92 adopts two alternate conformations. The minor and major conformations of Glu92 correspond to the second calcium ion bound and unbound states.

  10. 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


    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.

  11. M1 and E2 transitions in the ground-state configuration of atomic ...

    Indian Academy of Sciences (India)

    In calculations, various configuration sets are considered for including correlation effects. We have considered the valence–valence correlation and used the. MCHF and HFR atomic codes [14,15] in .... absorption or emission of electromagnetic radiations in transitions between energy levels. For absorption, the oscillator ...

  12. Comparison of core-shell particles and sub-2μm fully porous particles for use as ultrafast second dimension columns in two-dimensional liquid chtomatography. (United States)

    Haidar Ahmad, Imad A; Soliven, Arianne; Allen, Robert C; Filgueira, Marcelo; Carr, Peter W


    The peak capacity of small columns packed with 2.7μm core-shell particles and 1.8μm fully porous particles were compared at high temperatures using very steep (fast) gradient conditions and quite high linear velocities using the same instrument configuration as used to transfer first dimension effluent to the second dimension column as done in on-line comprehensive two-dimensional liquid chromatography. The experimental peak capacities of small columns (2.1mm×30mm) packed with both types of particles were measured with fast gradients (9s to 2min) at high temperature (95°C) using both the same flow rate (1.75mL/min) and then at different flow rates at the same pressure (400bar). Equal or slightly better peak capacities were achieved with the core-shell particle columns as compared to the fully porous particle columns at the same backpressure or the same flow rate. However, core-shell particles offer a real advantage over the smaller, fully porous particles because they can be operated at higher flow rates thus gradient mixer flush out and column reequilibration can be done in less time thereby allowing a greater fraction of the second dimension cycle time to be dedicated to the gradient time. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Effective actions and topological strings. Off-shell mirror symmetry and mock modularity of multiple M5-branes

    Energy Technology Data Exchange (ETDEWEB)

    Hecht, Michael


    This thesis addresses two different topics within the field of string theory. In the first part it is shown how Hodge-theoretic methods in conjunction with open string mirror symmetry can be used to compute non-perturbative effective superpotential couplings for type II/F-theory compactifications with D-branes and fluxes on compact Calabi-Yau manifolds. This is achieved by studying the at structure of operators which derives from the open/closed {beta}-model geometry. We analyze the variation of mixed Hodge structure of the relative cohomology induced by a family of divisors, which is wrapped by a D7-brane. This leads to a Picard-Fuchs system of differential operators, which can be used to compute the moduli dependence of the superpotential couplings as well as the mirror maps at various points in the open/closed deformation space. These techniques are used to obtain predictions for genuine A-model Ooguri-Vafa invariants of special Lagrangian submanifolds in compact Calabi-Yau geometries and real enumerative invariants of on-shell domain wall tensions. By an open/closed duality the system of differential equations can also be obtained from a gauged linear {sigma}-model, which describes a non-compact Calabi-Yau four-fold compactification without branes. This is used in the examples of multi-parameter models to study the various phases of the combined open/closed deformation space. It is furthermore shown how the brane geometry can be related to a F-theory compactification on a compact Calabi-Yau four-fold, where the Hodge-theoretic techniques can be used to compute the G-flux induced Gukov-Vafa-Witten potential. The dual F-theory picture also allows to conjecture the form of the Kaehler potential on the full open/closed deformation space. In the second part we analyze the background dependence of theories which derive from multiple wrapped M5-branes. Using the Kontsevich-Soibelman wall-crossing formula and the theory of mock modular forms we derive a holomorphic

  14. Accélération d'atomes ultrafroids: vers une mesure de h/M{Rb} (United States)

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


    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.

  15. Aislamiento rápido del virus dengue 3 por el método de shell vial en el brote de dengue en Lima

    Directory of Open Access Journals (Sweden)

    Victoria Gutiérrez P


    Full Text Available El aislamiento de virus dengue con los métodos tradicionales demora hasta un mes, en situaciones de emergencia como el brote de dengue clásico en el distrito de Comas-Lima entre abril y mayo de 2005, es necesario un diagnóstico precoz. Se procesaron 117 muestras de sueros de pacientes con diagnóstico clínico de dengue clásico en fase virémica procedentes la zona del brote, mediante el método de shell vial para el aislamiento del virus dengue en la línea celular C6-36, se identificó el serotipo del virus mediante inmunofluorescencia indirecta (IFI empleando anticuerpos monoclonales. Se logró el aislamiento del virus DEN-3 al quinto día de cosecha en el 48,7% (57/117 de los sueros. Los resultados sugieren que el método de shell vial, por el menor tiempo de aislamiento que el método tradicional, puede ser implementado como método de diagnóstico y usado en la vigilancia epidemiológica del virus dengue.

  16. 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


    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.

  17. Core-shell Prussian blue analogue molecular magnet Mn(1.5)[Cr(CN)6]·mH2O@Ni(1.5)[Cr(CN)6]·nH2O for hydrogen storage. (United States)

    Bhatt, Pramod; Banerjee, Seemita; Anwar, Sharmistha; Mukadam, Mayuresh D; Meena, Sher Singh; Yusuf, Seikh M


    Core-shell Prussian blue analogue molecular magnet Mn1.5[Cr(CN)6]·mH2O@Ni1.5[Cr(CN)6]·nH2O has been synthesized using a core of Mn1.5[Cr(CN)6]·7.5H2O, surrounded by a shell of Ni1.5[Cr(CN)6]·7.5H2O compound. A transmission electron microscopy (TEM) study confirms the core-shell nature of the nanoparticles with an average size of ∼25 nm. The core-shell nanoparticles are investigated by using x-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS) and elemental mapping, X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), and infrared (IR) spectroscopy. The Rietveld refinement of the XRD pattern reveals that the core-shell compound has a face-centered cubic crystal structure with space group Fm3m. The observation of characteristic absorption bands in the range of 2000-2300 cm(-1) in IR spectra corresponds to the CN stretching frequency of Mn(II)/Ni(II)-N≡C-Cr(III) sequence, confirming the formation of Prussian blue analogues. Hydrogen absorption isotherm measurements have been used to investigate the kinetics of molecular hydrogen adsorption into core-shell compounds of the Prussian blue analogue at low temperature conditions. Interestingly, the core-shell compound shows an enhancement in the hydrogen capacity (2.0 wt % at 123 K) as compared to bare-core and bare-shell compounds. The hydrogen adsorption capacity has been correlated with the specific surface area and TGA analysis of the core-shell compound. To the best of our knowledge, this is the first report on the hydrogen storage properties of core-shell Prussian blue analogue molecular magnet that could be useful for hydrogen storage applications.

  18. mülmüs Atom Potansiyeli Kullanarak CuNi Alasımının Moleküler Dinamik Simulasyonu

    Directory of Open Access Journals (Sweden)

    Eşe Ergün AKPINAR


    Full Text Available Bu çalısmada, CuNi alasımının moleküler dinamik simulasyonu, Sutton-Chen (SC potansiyeli kullanılarak incelendi. Bu potansiyel Cu, Ni ve CuNi in deneysel bilgilerinin fonksiyon parametrelerine fit edilmesiyle elde edildi. CuNi alasımının kristalizasyon sürecini atomik olarak tanımlamak için, gömülmüs atom yöntemini esas alan sabit basınç, sabit sıcaklık (NPT moleküler dinamik simulasyonu uygulandı. Sıvı fazda iken 4x1011 K/s sogutma hızında sogutulan CuNi alasımının yapısı ve kristallesme olusum yetenegi radyal dagılım fonksiyonuyla incelendi. Simulasyon, üç temel dogrultu boyunca periyodik sınır sartlarını saglayan kübik bir hücrede 1024 atom içeren sistemle gerçeklestirildi. Hareket denklemleri Verlet algoritması kullanılarak sayısal olarak çözüldü. Sogutma deneyi için sıvı hal baslangıcı, katının sıvı sıcaklıgına ısıtılmasıyla elde edildi. Sistem 1300-1550K sıvılasma bölgesi üzerindeki sıcaklıkta eritildi ve homojenize edildi ve hızla oda sıcaklıgına sogutuldu.

  19. Atomic Resolution Structure of the Double Mutant (K53,56M) of Bovine Pancreatic Phospholipase A2

    Energy Technology Data Exchange (ETDEWEB)

    Sekar,K.; Yogavel, M.; Gayathri, D.; Velmurugan, D.; Krishna, R.; Poi, M.; Dauter, Z.; Dauter, M.; Tsai, M.


    The structure of the double mutant K53,56M has previously been refined at 1.9 Angstroms resolution using room-temperature data. The present paper reports the crystal structure of the same mutant K53,56M refined against 1.1 Angstroms data collected using synchrotron radiation. A total of 116 main-chain atoms from 29 residues and 44 side chains are modeled in alternate conformations. Most of the interfacial binding residues are found to be disordered and alternate conformations could be recognized. The second calcium ion-binding site residue Glu92 adopts two alternate conformations. The minor and major conformations of Glu92 correspond to the second calcium ion bound and unbound states.

  20. 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: [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan)


    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.

  1. Set-up of a high-resolution 300 mK atomic force microscope in an ultra-high vacuum compatible 3He/10 T cryostat (United States)

    von Allwörden, H.; Ruschmeier, K.; Köhler, A.; Eelbo, T.; Schwarz, A.; Wiesendanger, R.


    The design of an atomic force microscope with an all-fiber interferometric detection scheme capable of atomic resolution at about 500 mK is presented. The microscope body is connected to a small pumped 3He reservoir with a base temperature of about 300 mK. The bakeable insert with the cooling stage can be moved from its measurement position inside the bore of a superconducting 10 T magnet into an ultra-high vacuum chamber, where the tip and sample can be exchanged in situ. Moreover, single atoms or molecules can be evaporated onto a cold substrate located inside the microscope. Two side chambers are equipped with standard surface preparation and surface analysis tools. The performance of the microscope at low temperatures is demonstrated by resolving single Co atoms on Mn/W(110) and by showing atomic resolution on NaCl(001).

  2. Set-up of a high-resolution 300 mK atomic force microscope in an ultra-high vacuum compatible (3)He/10 T cryostat. (United States)

    von Allwörden, H; Ruschmeier, K; Köhler, A; Eelbo, T; Schwarz, A; Wiesendanger, R


    The design of an atomic force microscope with an all-fiber interferometric detection scheme capable of atomic resolution at about 500 mK is presented. The microscope body is connected to a small pumped (3)He reservoir with a base temperature of about 300 mK. The bakeable insert with the cooling stage can be moved from its measurement position inside the bore of a superconducting 10 T magnet into an ultra-high vacuum chamber, where the tip and sample can be exchanged in situ. Moreover, single atoms or molecules can be evaporated onto a cold substrate located inside the microscope. Two side chambers are equipped with standard surface preparation and surface analysis tools. The performance of the microscope at low temperatures is demonstrated by resolving single Co atoms on Mn/W(110) and by showing atomic resolution on NaCl(001).

  3. TiO2/ZnO and ZnO/TiO2 core/shell nanofibers prepared by electrospinning and atomic layer deposition for photocatalysis and gas sensing (United States)

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


    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.

  4. Nuclear shell theory

    CERN Document Server

    de-Shalit, Amos; Massey, H S W


    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.

  5. Improvement of energy conversion efficiency and power generation in direct borohydride-hydrogen peroxide fuel cell: The effect of Ni-M core-shell nanoparticles (M = Pt, Pd, Ru)/Multiwalled Carbon Nanotubes on the cell performance (United States)

    Hosseini, M. G.; Mahmoodi, R.


    In this study, core@shell nanoparticles with Ni as a core material and Pt, Pd and Ru as shell materials are synthesized on multiwalled carbon nanotube (MWCNT) as catalyst support using the sequence reduction method. The influence of Ni@Pt, Ni@Pd and Ni@Ru core@shell nanoparticles on MWCNT toward borohydride oxidation in alkaline solution is investigated by various three-electrode electrochemical techniques. Also, the impact of these anodic electrocatalysts on the performance of direct borohydride-hydrogen peroxide fuel cell (DBHPFC) is evaluated. The structural and morphological properties of electrocatalysts are studied by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HR-TEM) and X-ray photoelectron spectroscopy (XPS). The results of three electrode investigations show that Ni@Pd/MWCNT has excellent catalytic activity since borohydride oxidation current density on Ni@Pd/MWCNT (34773.27 A g-1) is 1.37 and 9.19 times higher than those of Ni@Pt/MWCNT (25347.27 A g-1) and Ni@Ru/MWCNT (3782.83 A g-1), respectively. Also, the energy conversion efficiency and power density of DBHPFC with Ni@Pd/MWCNT (246.82 mW cm-2) increase to 34.27% and 51.53% respect to Ni@Pt/MWCNT (162.24 mW cm-2) and Ni@Ru/MWCNT (119.62 mW cm-2), respectively. This study reveals that Ni@Pd/MWCNT has highest activity toward borohydride oxidation and stability in fuel cell.

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

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


    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.

  7. Tailor-made magnetic Fe3O4@mTiO2 microspheres with a tunable mesoporous anatase shell for highly selective and effective enrichment of phosphopeptides. (United States)

    Ma, Wan-Fu; Zhang, Ying; Li, Lu-Lu; You, Li-Jun; Zhang, Peng; Zhang, Yu-Ting; Li, Ju-Mei; Yu, Meng; Guo, Jia; Lu, Hao-Jie; Wang, Chang-Chun


    Selective enrichment of phosphoproteins or phosphopeptides from complex mixtures is essential for MS-based phosphoproteomics, but still remains a challenge. In this article, we described an unprecedented approach to synthesize magnetic mesoporous Fe(3)O(4)@mTiO(2) microspheres with a well-defined core/shell structure, a pure and highly crystalline TiO(2) layer, high specific surface area (167.1 m(2)/g), large pore volume (0.45 cm(3)/g), appropriate and tunable pore size (8.6-16.4 nm), and high magnetic susceptibility. We investigated the applicability of Fe(3)O(4)@mTiO(2) microspheres in a study of the selective enrichment of phosphopeptides. The experiment results demonstrated that the Fe(3)O(4)@mTiO(2) possessed remarkable selectivity for phosphopeptides even at a very low molar ratio of phosphopeptides/non-phosphopeptides (1:1000), large enrichment capacity (as high as 225 mg/g, over 10 times as that of the Fe(3)O(4)@TiO(2) microspheres), extreme sensitivity (the detection limit was at the fmol level), excellent speed (the enrichment can be completed in less than 5 min), and high recovery of phosphopeptides (as high as 93%). In addition, the high magnetic susceptibility allowed convenient separation of the target peptides by magnetic separation. These outstanding features give the Fe(3)O(4)@mTiO(2) composite microspheres high benefit for mass spectrometric analysis of phosphopeptides.

  8. K-, L- and M-shell X-ray productions induced by krypton ions in the 0.8-1.6 MeV/amu range (United States)

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


    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.

  9. Multifunctional Fe3O4@Polydopamine Core–Shell Nanocomposites for Intracellular mRNA Detection and Imaging-Guided Photothermal Therapy (United States)

    Lin, Li-Sen; Cong, Zhong-Xiao; Cao, Jian-Bo; Ke, Kai-Mei; Peng, Qiao-Li; Gao, Jinhao; Yang, Huang-Hao; Liu, Gang; Chen, Xiaoyuan


    Multifunctional nanocomposites have the potential to integrate sensing, diagnostic, and therapeutic functions into a single nanostructure. Herein, we synthesize Fe3O4@polydopamine core–shell nanocomposites (Fe3O4@PDA NCs) through an in situ self-polymerization method. Dopamine, a melanin-like mimic of mussel adhesive proteins, can self-polymerize to form surface-adherent polydopamine (PDA) films onto a wide range of materials including Fe3O4 nanoparticles used here. In such nanocomposites, PDA provides a number of advantages, such as near-infrared absorption, high fluorescence quenching efficiency, and a surface for further functionalization with biomolecules. We demonstrate the ability of the Fe3O4@PDA NCs to act as theranostic agents for intracellular mRNA detection and multimodal imaging-guided photothermal therapy. This work would stimulate interest in the use of PDA as a useful material to construct multifunctional nanocomposites for biomedical applications. PMID:24654734


    Energy Technology Data Exchange (ETDEWEB)

    Males, Jared R.; Close, Laird M.; Skemer, Andrew J.; Hinz, Philip M.; Hoffmann, William F. [Steward Observatory, Department of Astronomy, University of Arizona, Tucson, AZ 85721 (United States); Marengo, Massimo, E-mail: [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States)


    The evolved carbon-rich asymptotic giant branch star IRC +10216 (CW Leo) is the brightest mid-infrared source outside the solar system, as well as one of the closest examples of an evolved star losing mass. It has a complex and variable circumstellar structure on small scales in the near-infrared, and mid-infrared interferometry has revealed a dynamic dust formation zone. We have obtained diffraction-limited imaging and grism spectroscopy of IRC +10216 at the 6.5 m MMT in the N band ({approx}8-13 {mu}m). These new observations show that a change has occurred in the dust shell surrounding IRC +10216 over the last two decades, which is illustrated by a change in the apparent shape of the well-known SiC spectral feature at {approx}11 {mu}m and a reduction in the continuum at 13 {mu}m. As expected, our diffraction-limited spatial information shows an extended circumstellar envelope. We also demonstrate that the dusty envelope appears to be {approx}30% larger at the wavelengths of the SiC feature, likely due to the increased opacity of SiC. The deconvolved full width at half-maximum of the object increases from 0.''43 ({approx} 56 AU) for {lambda} < 10 {mu}m to 0.''58 ({approx}75 AU) at 11.8 {mu}m, then decreases to 0.''5 ({approx}65 AU) at 12.7 {mu}m. Our estimates of IRC +10216's size allow us to plausibly tie the change in the spectrum over the last 12.5 years to the evolution of the dusty circumstellar envelope at speeds of 12-17 km s{sup -1}.

  11. Poly(melamine-formaldehyde) microcapsules filled with epoxy resin: effect of M/F ratio on the shell wall stability (United States)

    Sharma, Shilpi; Choudhary, Veena


    In this article, we systematically investigated the effects of process parameters such as melamine to formaldehyde (M/F) ratio taken in the initial feed on the yield percent, core content, solvent wash stability, morphology, mean particle size distribution and thermal stability of the microcapsules. Epoxy loaded poly(melamine-formaldehyde) (PMF) microcapsules were prepared by in situ polymerization using emulsion technique. Capsules core content and solvent wash stability increased as the formaldehyde content increased. Structural (FTIR and 1H-NMR), morphological (optical microscopy (OM) and scanning electron microscopy (SEM)) and thermal (thermogravimetry and differential scanning calorimetry) characterization was done to investigate the effects of M/F ratio on the synthesized microcapsules. The analysis of core material by FTIR and 1H-NMR spectra confirmed the presence of epoxy as the core material. OM and SEM micrographs showed that the prepared capsules were almost spherical with a perfect periphery, but showed the tendency to agglomerate as the ratio of M/F decreased. The mean particle size of epoxy filled PMF microcapsules decreased (from 87.1 µm to 67 µm) as the ratio of M/F increased. Thermal analysis showed that the microcapsules were thermally stable up to 373 °C. Thermal stability of microcapsules increased as the ratio of M/F increased. Such microcapsules are expected to find applications in the preparation of polymeric self-healing composites for aerospace industry.

  12. Highly Stretchable Conductive Fibers from Few-Walled Carbon Nanotubes Coated on Poly(m-phenylene isophthalamide) Polymer Core/Shell Structures. (United States)

    Jiang, Shujuan; Zhang, Hongbo; Song, Shaoqing; Ma, Yanwen; Li, Jinghua; Lee, Gyeong Hee; Han, Qiwei; Liu, Jie


    A core/shell stretchable conductive composite of a few-walled carbon nanotube network coated on a poly(m-phenylene isophthalamide) fiber (FWNT/PMIA) was fabricated by a dip-coating method and an annealing process that greatly enhanced interactions between the FWNT network and PMIA core as well as within the FWNT network. The first strain-conductivity test of the as-prepared FWNT/PMIA fiber showed a stretching-induced alignment of nanotubes in the shell during the deformation process and a good conductivity stability with a slight conductivity drop from 109.63 S/cm to 98.74 S/cm (Δσ/σ0 = 10%) at a strain of ∼150% (2.5 times the original length). More importantly, after the first stretching process, the fiber can be recovered with a slight increase in length but a greatly improved conductivity of 167.41 S/cm through an additional annealing treatment. The recovered fiber displays a similarly superb conductivity stability against stretching, with a decrease of only ∼13 S/cm to 154.49 S/cm (Δσ/σ0 = 8%) at a strain of ∼150%. We believe that this conductivity stability came from the formation and maintaining of aligned nanotube structures during the stretching process, which ensures the good tube-tube contacts and the elongation of the FWNT network without losing its conductivity. Such stable conductivity in stretchable fibers will be important for applications in stretchable electronics.

  13. Large low-energy M1 strength for ^{56,57}Fe within the nuclear shell model. (United States)

    Brown, B Alex; Larsen, A C


    A strong enhancement at low γ-ray energies has recently been discovered in the γ-ray strength function of ^{56,57}Fe. In this work, we have for the first time obtained theoretical γ decay spectra for states up to ≈8  MeV in excitation for ^{56,57}Fe. We find large B(M1) values for low γ-ray energies that provide an explanation for the experimental observations. The role of mixed E2 transitions for the low-energy enhancement is addressed theoretically for the first time, and it is found that they contribute a rather small fraction. Our calculations clearly show that the high-ℓ(=f) diagonal terms are most important for the strong low-energy M1 transitions. As such types of 0ℏω transitions are expected for all nuclei, our results indicate that a low-energy M1 enhancement should be present throughout the nuclear chart. This could have far-reaching consequences for our understanding of the M1 strength function at high excitation energies, with profound implications for astrophysical reaction rates.

  14. Shell supports

    DEFF Research Database (Denmark)

    Almegaard, Henrik


    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....

  15. Connectivity-based parcellation of the nucleus accumbens into core and shell portions for stereotactic target localization and alterations in each NAc subdivision in mTLE patients. (United States)

    Zhao, Xixi; Yang, Ru; Wang, Kewan; Zhang, Zhongping; Wang, Junling; Tan, Xiangliang; Zhang, Jiajun; Mei, Yingjie; Chan, Queenie; Xu, Jun; Feng, Qianjin; Xu, Yikai


    The nucleus accumbens (NAc), an important target of deep brain stimulation for some neuropsychiatric disorders, is thought to be involved in epileptogenesis, especially the shell portion. However, little is known about the exact parcellation within the NAc, and its structural abnormalities or connections alterations of each NAc subdivision in temporal lobe epilepsy (TLE) patients. Here, we used diffusion probabilistic tractography to subdivide the NAc into core and shell portions in individual TLE patients to guide stereotactic localization of NAc shell. The structural and connection abnormalities in each NAc subdivision in the groups were then estimated. We successfully segmented the NAc in 24 of 25 controls, 14 of 16 left TLE patients, and 14 of 18 right TLE patients. Both left and right TLE patients exhibited significantly decreased fractional anisotropy (FA) and increased radial diffusivity (RD) in the shell, while there was no significant alteration in the core. Moreover, relatively distinct structural connectivity of each NAc subdivision was demonstrated. More extensive connection abnormalities were detected in the NAc shell in TLE patients. Our results indicate that neuronal degeneration and damage caused by seizure mainly exists in NAc shell and provide anatomical evidence to support the role of NAc shell in epileptogenesis. Remarkably, those NAc shell tracts with increased connectivities in TLE patients were found decreased in FA, which indicates disruption of fiber integrity. This finding suggests the regeneration of aberrant connections, a compensatory and repair process ascribed to recurrent seizures that constitutes part of the characteristic changes in the epileptic network. © 2017 Wiley Periodicals, Inc.

  16. 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 (United States)

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


    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.

  17. Atomic and electronic structure of free niobium nanoclusters: Simulation of the M{sub 4,5}-XANES spectrum of Nb{sub 13}{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Kravtsova, Antonina N., E-mail: [Research Center for Nanoscale Structure of Matter, Southern Federal University, Sorge str. 5, 344090 Rostov-on-Don (Russian Federation); Lomachenko, Kirill A. [Research Center for Nanoscale Structure of Matter, Southern Federal University, Sorge str. 5, 344090 Rostov-on-Don (Russian Federation); Department of Chemistry and NIS Centre of Excellence, University of Turin, Via P. Giuria 7, 10125 Turin (Italy); Soldatov, Alexander V., E-mail: [Research Center for Nanoscale Structure of Matter, Southern Federal University, Sorge str. 5, 344090 Rostov-on-Don (Russian Federation); Meyer, Jennifer; Niedner-Schatteburg, Gereon [Technische Universität Kaiserslautern, Fachbereich Chemie und Forschungszentrum OPTIMAS, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany); Peredkov, Sergey [Helmholtz-Zentrum Berlin für Materialien und Energie, Wilhelm-Conrad-Röntgen-Campus Adlershof, Elektronenspeicherring BESSY II, Albert-Einstein-Straße 15, Berlin (Germany); Eberhardt, Wolfgang [Technische Universität Berlin, IOAP, Straße des 17. Juni 135, 10623 Berlin (Germany); Neeb, Matthias, E-mail: [Helmholtz-Zentrum Berlin für Materialien und Energie, Wilhelm-Conrad-Röntgen-Campus Adlershof, Elektronenspeicherring BESSY II, Albert-Einstein-Straße 15, Berlin (Germany)


    Highlights: • M{sub 4,5}-XANES spectra have been calculated for several structural models of free Nb{sub 13}{sup +} cluster. • Theoretical M{sub 4,5}-XANES have been compared with the experimental spectrum of free Nb{sub 13}{sup +}. • Icosahedral structure of Nb{sub 13}{sup +} shows better agreement with experiment than the “amorphous” one. • Distance between Nb atoms in the icosahedral cluster is distinctly reduced as compared to the bulk phase. - Abstract: The atomic and electronic structure of free niobium nanoclusters has been studied on the basis of X-ray absorption near-edge structure (XANES) spectroscopy and density functional theory. M{sub 4,5}-XANES spectra have been calculated for several structural models of the 13-atomic niobium cluster. The calculations have been done on the basis of both full multiple scattering theory within the muffin-tin approximation for a potential and full-potential finite difference method. The comparison of the experimental M{sub 4,5}-edge XANES spectrum (Peredkov et al., J. Electron Spectros. Relat. Phenomena 184 (2011) 113–118) with the simulated X-ray absorption spectra of Nb{sub 13}{sup +} hints to a highly-symmetric icosahedral structure of the cluster. An internuclear distance of 2.2 ± 0.1 Å between neighboring “surface” atoms of the icosahedron and 2.09 Å between the central “bulk” atom and “surface” atoms, respectively, has been found upon comparison of the experimental and theoretical XANES spectra.

  18. Diffuse interstellar bands versus known atomic and molecular species in the interstellar medium of M82 toward SN 2014J

    Energy Technology Data Exchange (ETDEWEB)

    Welty, Daniel E.; York, Donald G. [Department of Astronomy and Astrophysics, University of Chicago, 5640 South Ellis Avenue, Chicago, IL 60637 (United States); Ritchey, Adam M. [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Dahlstrom, Julie A., E-mail: [Department of Physics and Astronomy, Carthage College, 2001 Alford Park Drive, Kenosha, WI 53140 (United States)


    We discuss the absorption due to various constituents of the interstellar medium (ISM) of M82 seen in moderately high-resolution, high signal-to-noise ratio optical spectra of SN 2014J. Complex absorption from M82 is seen, at velocities 45 ≲ v {sub LSR} ≲ 260 km s{sup –1}, for Na I, K I, Ca I, Ca II, CH, CH{sup +}, and CN; many of the diffuse interstellar bands (DIBs) are also detected. Comparisons of the column densities of the atomic and molecular species and the equivalent widths of the DIBs reveal both similarities and differences in relative abundances, compared to trends seen in the ISM of our Galaxy and the Magellanic Clouds. Of the 10 relatively strong DIBs considered here, 6 (including λ5780.5) have strengths within ±20% of the mean values seen in the local Galactic ISM, for comparable N(K I); 2 are weaker by 20%-45% and 2 (including λ5797.1) are stronger by 25%-40%. Weaker than 'expected' DIBs (relative to N(K I), N(Na I), and E(B – V)) in some Galactic sight lines and toward several other extragalactic supernovae appear to be associated with strong CN absorption and/or significant molecular fractions. While the N(CH)/N(K I) and N(CN)/N(CH) ratios seen toward SN 2014J are similar to those found in the local Galactic ISM, the combination of high N(CH{sup +})/N(CH) and high W(5797.1)/W(5780.5) ratios has not been seen elsewhere. The centroids of many of the M82 DIBs are shifted relative to the envelope of the K I profile—likely due to component-to-component variations in W(DIB)/N(K I) that may reflect the molecular content of the individual components. We compare estimates for the host galaxy reddening E(B – V) and visual extinction A {sub V} derived from the various interstellar species with the values estimated from optical and near-IR photometry of SN 2014J.

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

    Energy Technology Data Exchange (ETDEWEB)

    Merzbacher, E.


    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)

  20. Hydrogen storage and hydrolysis properties of core-shell structured Mg-MFx (M=V, Ni, La and Ce) nano-composites prepared by arc plasma method (United States)

    Mao, Jianfeng; Zou, Jianxin; Lu, Chong; Zeng, Xiaoqin; Ding, Wenjiang


    In this work, core-shell structured Mg-MFx (M = V, Ni, La and Ce) nano-composites are prepared by using arc plasma method. The particle size distribution, phase components, microstructures, hydrogen sorption properties of these composites and hydrolysis properties of their corresponding hydrogenated powders are carefully investigated. It is shown that the addition of MFx through arc plasma method can improve both the hydrogen absorption kinetics of Mg and the hydrolysis properties of corresponding hydrogenated powders. Among them, the Mg-NiF2 composite shows the best hydrogen absorption properties at relatively low temperatures, which can absorb 3.26 wt% of H2 at 373 K in 2 h. Such rapid hydrogen absorption rate is mainly due to the formation of Mg2Ni and MgF2 on Mg particles during arc evaporation and condensation. In contrast, measurements also show that the hydrogenated Mg-VF3 composite has the lowest peak desorption temperature and the fastest hydrolysis rate among all the hydrogenated Mg-MFx composites. The less agglomeration tendency of Mg particles and VO2 covered on MgH2 particles account for the reduced hydrogen desorption temperature and enhanced hydrolysis rate.

  1. Rapid determination of parabens in seafood sauces by high-performance liquid chromatography: A practical comparison of core-shell particles and sub-2 μm fully porous particles. (United States)

    Ye, Jing; Cao, Xiaoji; Cheng, Zhuo; Qin, Ye; Lu, Yanbin


    In this work, the chromatographic performance of superficially porous particles (Halo core-shell C18 column, 50 mm × 2.1 mm, 2.7 μm) was compared with that of sub-2 μm fully porous particles (Acquity BEH C18 , 50 mm × 2.1 mm, 1.7 μm). Four parabens, methylparaben, ethylparaben, propylparaben, and butylparaben, were used as representative compounds for calculating the plate heights in a wide flow rate range and analyzed on the basis of the Van Deemter and Knox equations. Theoretical Poppe plots were constructed for each column to compare their kinetic performance. Both phases gave similar minimum plate heights when using nonreduced coordinates. Meanwhile, the flat C-term of the core-shell column provided the possibilities for applying high flow rates without significant loss in efficiency. The low backpressure of core-shell particles allowed this kind of column, especially compatible with conventional high-performance liquid chromatography systems. Based on these factors, a simple high-performance liquid chromatography method was established and validated for the determination of parabens in various seafood sauces using the Halo core-shell C18 column for separation. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Protein profiles of hatchery egg shell membrane (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...

  3. Continuous syntheses of Pd@Pt and Cu@Ag core-shell nanoparticles using microwave-assisted core particle formation coupled with galvanic metal displacement (United States)

    Miyakawa, Masato; Hiyoshi, Norihito; Nishioka, Masateru; Koda, Hidekazu; Sato, Koichi; Miyazawa, Akira; Suzuki, Toshishige M.


    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

  4. Tuning of electronic band gaps and optoelectronic properties of binary strontium chalcogenides by means of doping of magnesium atom(s)- a first principles based theoretical initiative with mBJ, B3LYP and WC-GGA functionals (United States)

    Debnath, Bimal; Sarkar, Utpal; Debbarma, Manish; Bhattacharjee, Rahul; Chattopadhyaya, Surya


    First principle based theoretical initiative is taken to tune the optoelectronic properties of binary strontium chalcogenide semiconductors by doping magnesium atom(s) into their rock-salt unit cells at specific concentrations x = 0.0, 0.25, 0.50, 0.75 and 1.0 and such tuning is established by studying structural, electronic and optical properties of designed binary compounds and ternary alloys employing WC-GGA, B3LYP and mBJ exchange-correlation functionals. Band structure of each compound is constructed and respective band gaps under all the potential schemes are measured. The band gap bowing and its microscopic origin are calculated using quadratic fit and Zunger's approach, respectively. The atomic and orbital origins of electronic states in the band structure of any compound are explored from its density of states. The nature of chemical bonds between the constituent atoms in each compound is explored from the valence electron density contour plots. Optical properties of any specimen are explored from the computed spectra of its dielectric function, refractive index, extinction coefficient, normal incidence reflectivity, optical conductivity optical absorption and energy loss function. Several calculated results are compared with available experimental and earlier theoretical data.

  5. Thermally stable single atom Pt/m-Al2O3 for selective hydrogenation and CO oxidation

    KAUST Repository

    Zhang, Zailei


    Single-atom metal catalysts offer a promising way to utilize precious noble metal elements more effectively, provided that they are catalytically active and sufficiently stable. Herein, we report a synthetic strategy for Pt single-atom catalysts with outstanding stability in several reactions under demanding conditions. The Pt atoms are firmly anchored in the internal surface of mesoporous Al2O3, likely stabilized by coordinatively unsaturated pentahedral Al3+ centres. The catalyst keeps its structural integrity and excellent performance for the selective hydrogenation of 1,3-butadiene after exposure to a reductive atmosphere at 200 °C for 24 h. Compared to commercial Pt nanoparticle catalyst on Al2O3 and control samples, this system exhibits significantly enhanced stability and performance for n-hexane hydro-reforming at 550 °C for 48 h, although agglomeration of Pt single-atoms into clusters is observed after reaction. In CO oxidation, the Pt single-atom identity was fully maintained after 60 cycles between 100 and 400 °C over a one-month period.

  6. Thermally stable single atom Pt/m-Al2O3 for selective hydrogenation and CO oxidation. (United States)

    Zhang, Zailei; Zhu, Yihan; Asakura, Hiroyuki; Zhang, Bin; Zhang, Jiaguang; Zhou, Maoxiang; Han, Yu; Tanaka, Tsunehiro; Wang, Aiqin; Zhang, Tao; Yan, Ning


    Single-atom metal catalysts offer a promising way to utilize precious noble metal elements more effectively, provided that they are catalytically active and sufficiently stable. Herein, we report a synthetic strategy for Pt single-atom catalysts with outstanding stability in several reactions under demanding conditions. The Pt atoms are firmly anchored in the internal surface of mesoporous Al2O3, likely stabilized by coordinatively unsaturated pentahedral Al(3+) centres. The catalyst keeps its structural integrity and excellent performance for the selective hydrogenation of 1,3-butadiene after exposure to a reductive atmosphere at 200 °C for 24 h. Compared to commercial Pt nanoparticle catalyst on Al2O3 and control samples, this system exhibits significantly enhanced stability and performance for n-hexane hydro-reforming at 550 °C for 48 h, although agglomeration of Pt single-atoms into clusters is observed after reaction. In CO oxidation, the Pt single-atom identity was fully maintained after 60 cycles between 100 and 400 °C over a one-month period.

  7. Ab Initio Structure Determination of the Triple Mutant (K53,56,121M) of Bovine Pancreatic Phospholipase A(2) at Atomic and High Resolution Using ACORN

    Energy Technology Data Exchange (ETDEWEB)

    Velmurugan,D.; Rajakannan, V.; Gayathri, D.; Banumathi, S.; Yamane, T.; Dauter, Z.; Dauter, M.; Sekar, K.


    Atomic resolution (0.97 Angstroms) data were collected for the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A{sub 2} at 100 K and data extending to 1.0 Angstroms resolution were used for the present study. Accuracy of the data at high resolution allowed the structure to be solved using the program ACORN, with a random single-atom start in an ab initio manner. The phases obtained from ACORN are of good quality and revealed most of the amino acid residues. Single wavelength Anomalous Diffraction (SAD) data were also used to locate the position of the sulphurs and ACORN was run with these atomic positions as a source of phasing information. The effect of truncating the data to 1.4 and 1.45 Angstroms for input to ACORN is also examined. Larger fragments are required to trigger successful phase refinement at these lower resolutions.

  8. (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 ...

  9. Y2O3:Yb,Er@mSiO2-Cu(x)S double-shelled hollow spheres for enhanced chemo-/photothermal anti-cancer therapy and dual-modal imaging. (United States)

    Yang, Dan; Yang, Guixin; Wang, Xingmei; Lv, Ruichan; Gai, Shili; He, Fei; Gulzar, Arif; Yang, Piaoping


    Multifunctional composites have gained significant interest due to their unique properties which show potential in biological imaging and therapeutics. However, the design of an efficient combination of multiple diagnostic and therapeutic modes is still a challenge. In this contribution, Y2O3:Yb,Er@mSiO2 double-shelled hollow spheres (DSHSs) with up-conversion fluorescence have been successfully prepared through a facile integrated sacrifice template method, followed by a calcination process. It is found that the double-shelled structure with large specific surface area and uniform shape is composed of an inner shell of luminescent Y2O3:Yb,Er and an outer mesoporous silica shell. Ultra small Cu(x)S nanoparticles (about 2.5 nm) served as photothermal agents, and a chemotherapeutic agent (doxorubicin, DOX) was then attached onto the surface of mesoporous silica, forming a DOX-DSHS-Cu(x)S composite. The composite exhibits high anti-cancer efficacy due to the synergistic photothermal therapy (PTT) induced by the attached Cu(x)S nanoparticles and the enhanced chemotherapy promoted by the heat from the Cu(x)S-based PTT when irradiated by 980 nm near-infrared (NIR) light. Moreover, the composite shows excellent in vitro and in vivo X-ray computed tomography (CT) and up-conversion fluorescence (UCL) imaging properties owing to the doped rare earth ions, thus making it possible to achieve the target of imaging-guided synergistic therapy.

  10. Shell worlds (United States)

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


    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

  11. Three-dimensional atomic-scale investigation of ZnO-MgxZn1-xO m-plane heterostructures (United States)

    Di Russo, E.; Mancini, L.; Moyon, F.; Moldovan, S.; Houard, J.; Julien, F. H.; Tchernycheva, M.; Chauveau, J. M.; Hugues, M.; Da Costa, G.; Blum, I.; Lefebvre, W.; Blavette, D.; Rigutti, L.


    The structural, compositional, and optical properties of ZnO/MgxZn1-xO m-plane heterostructures are investigated using scanning transmission electron microscopy, laser-assisted atom probe tomography, and micro-photoluminescence. Coupled with electron tomography, atom probe tomography is currently the only technique providing a 3D reconstruction of the position of the atoms of a nanoscale specimen with their chemical nature. The multi-quantum well system investigated exhibits a V-groove grating profile along the a-axis accompanied by the formation of Zn- and Mg-enriched regions corresponding to the edges pointing towards the substrate and towards the upper surface, respectively. The optical signature of these heterostructures has been investigated by performing micro-photoluminescence on atom probe tip specimens. Effective mass calculations based on the 3D microscopy data indicate that the quantum well geometry and barrier composition yield a localization of hole states at the bottom of the V-groove.

  12. Saturated-absorption spectroscopy revisited: atomic transitions in strong magnetic fields ($>$20 mT) with a micrometer-thin cell


    Sargsyan, A.; Tonoyan, A.(Department for Physics and Technology, University of Bergen, Bergen, Norway); Mirzoyan, R.; Sarkisyan, D; Stabrawa, A. M. Wojciechowski A.; Gawlik, W.


    The existence of cross-over resonances makes saturated-absorption spectra very complicated when external magnetic field B is applied. It is demonstrated for the first time that the use of micrometric-thin cells (MTC, $L\\approx40\\,\\mu$m) allows application of SA for quantitative studies of frequency splittings and shifts of the Rb atomic transitions in a wide range of external magnetic fields, from 0.2 up to 6 kG (20-600 mT). We compare the SA spectra obtained with the MTC with those obtained ...

  13. Closed-shell and open-shell square-planar iridium nitrido complexes (United States)

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


    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)].

  14. Gate-all-around junctionless silicon transistors with atomically thin nanosheet channel (0.65 nm) and record sub-threshold slope (43 mV/dec) (United States)

    Thirunavukkarasu, Vasanthan; Jhan, Yi-Ruei; Liu, Yan-Bo; Kurniawan, Erry Dwi; Lin, Yu Ru; Yang, Shang-Yi; Cheng, Che-Hsiang; Wu, Yung-Chun


    A silicon junctionless (JL) trench gate-all-around (GAA) nanowire field-effect transistor with an atomically thin channel thickness of 0.65 nm and a very thin oxide with a thickness of 12.3 nm are demonstrated experimentally. Experimental results indicate that this device with a channel thickness of 0.65 nm achieves a sub-threshold slope (SS) of 43 mV/decade, which is the best yet achieved by any reported JLFET. Owing to the atomically thin channel, this device has an extremely high ION/IOFF current ratio of >108. Furthermore, the atomically thin channel GAA JLFET exhibits a low threshold voltage (VTH) variation and negligible drain-induced barrier lowering (DIBL < 0.4 mV/V). The reported device with the thinnest channel has a very high band-to-band tunneling generation rate of 1.2 × 1024/cm2 s when the channel is scaled down to <1 nm, as confirmed by using the 3D quantum transport simulation tool. This quantum tunneling provides a means of achieving an SS value much lower than its fundamental physical limit.

  15. A Physicist in the Corridors of Power: P. M. S. Blackett's Opposition to Atomic Weapons Following the War (United States)

    Nye, M. J.


    . Blackett had been a naval officer during the First World War, a veteran of Ernest Rutherford's Cavendish Laboratory and head of the physics department at Manchester in the interwar years, and he was a founder of operational research during the Second World War. Vilified in the British and American press in the 1940s and 1950s, he continued to contest prevailing nuclear weapons strategy, finding a more favorable reception for his arguments by the early 1960s. This paper examines the publication and reception of Blackett's views on atomic weapons, analyzing the risks to a physicist who writes about a subject other than physics, as well as the circumstances that might compel one to do so.

  16. [Connection of magnetic antisense probe with SK-Br-3 oncocyte mRNA nucleotide detected by high resolution atomic force microscope]. (United States)

    Tan, Shude; Ouyang, Yu; Li, Xinyou; Wen, Ming; Li, Shaolin


    The present paper is aimed to detect superparamagnetic iron oxide labeled c-erbB2 oncogene antisense oligonucleotide probe (magnetic antisense probe) connected with SK-Br-3 oncocyte mRNA nucleotide by high resolution atomic force microscope (AFM). We transfected SK-Br-3 oncocyte with magnetic antisense probe, then observed the cells by AFM with high resolution and detected protein expression and magnetic resonance imagine (MRI). The high resolution AFM clearly showed the connection of the oligonucleotide remote end of magnetic antisense probe with the mRNA nucleotide of oncocyte. The expression of e-erbB2 protein in SK-Br3 cells were highly inhibited by using magnetic antisense probe. We then obtained the lowest signal to noise ratio (SNR) of SK-Br-3 oncocyte transfected with magnetic antisense probe by MRI (Pmagnetic antisense probe and SK-Br-3 mRNA of tumor cell nuclear.

  17. View of the bacterial strains of Escherichia coli M-17 and its interaction with the nanoparticles of zinc oxide by means of atomic force microscopy (United States)

    Sagitova, A.; Yaminsky, I.; Meshkov, G.


    Visualization of the structure of biological objects plays a key role in medicine, biotechnology, nanotechnology and IT-technology. Atomic force microscopy (AFM) is a promising method of studying of objects’ morphology and structure. In this work, AFM was used to determine the size and shape of the bacterial strains of Escherichia coli M-17 and visualization its interaction with the nanoparticles of zinc oxide. The suspension of E.coli bacteria was applied to natural mica and studied by contact mode using the FemtoScan multifunctional scanning probe microscope.

  18. 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


    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).

  19. Atomic resolution (0.97 Å) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sekar, K., E-mail: [Bioinformatics Centre, Indian Institute of Science, Bangalore 560 012 (India); Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560 012 (India); Rajakannan, V.; Gayathri, D.; Velmurugan, D. [Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025 (India); Poi, M.-J. [Department of Chemistry and Biochemistry and The Ohio State Biotechnology Program, The Ohio State University, Columbus, OH 43210 (United States); Academia Sinica,Taiwan (China); Dauter, M. [SAIC-Frederick Inc., Basic Research Program, Brookhaven National Laboratory, Building 725A-X9, Upton, NY 11973 (United States); Dauter, Z. [Synchrotron Radiation Research Section, Macromolecular Crystallography Laboratory, NCI and Brookhaven National Laboratory, Building 725A-X9, Upton, NY 11973 (United States); Tsai, M.-D. [Department of Chemistry and Biochemistry and The Ohio State Biotechnology Program, The Ohio State University, Columbus, OH 43210 (United States); Academia Sinica,Taiwan (China); Bioinformatics Centre, Indian Institute of Science, Bangalore 560 012 (India)


    The crystal structure of a triple mutant (K53,56,121M) of bovine pancreatic phospholipase A{sub 2} has been solved at atomic resolution (0.97 Å) and the refined model features the presence of a second calcium ion and a chloride ion. The enzyme phospholipase A{sub 2} catalyzes the hydrolysis of the sn-2 acyl chain of phospholipids, forming fatty acids and lysophospholipids. The crystal structure of a triple mutant (K53,56,121M) of bovine pancreatic phospholipase A{sub 2} in which the lysine residues at positions 53, 56 and 121 are replaced recombinantly by methionines has been determined at atomic resolution (0.97 Å). The crystal is monoclinic (space group P2), with unit-cell parameters a = 36.934, b = 23.863, c = 65.931 Å, β = 101.47°. The structure was solved by molecular replacement and has been refined to a final R factor of 10.6% (R{sub free} = 13.4%) using 63 926 unique reflections. The final protein model consists of 123 amino-acid residues, two calcium ions, one chloride ion, 243 water molecules and six 2-methyl-2,4-pentanediol molecules. The surface-loop residues 60–70 are ordered and have clear electron density.

  20. Teaching Valence Shell Electron Pair Repulsion (VSEPR) Theory (United States)

    Talbot, Christopher; Neo, Choo Tong


    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),…

  1. MicroShell Minimalist Shell for Xilinx Microprocessors (United States)

    Werne, Thomas A.


    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. Saturated-absorption spectroscopy revisited: atomic transitions in strong magnetic fields (>20  mT) with a micrometer-thin cell. (United States)

    Sargsyan, A; Tonoyan, A; Mirzoyan, R; Sarkisyan, D; Wojciechowski, A M; Stabrawa, A; Gawlik, W


    The existence of crossover resonances makes saturated-absorption (SA) spectra very complicated when external magnetic field B is applied. It is demonstrated for the first time, to the best of our knowledge, that the use of micrometric-thin cells (MTCs, L≈40  μm) allows application of SA for quantitative studies of frequency splitting and shifts of the Rb atomic transitions in a wide range of external magnetic fields, from 0.2 up to 6 kG (20-600 mT). We compare the SA spectra obtained with the MTC with those obtained with other techniques and present applications for optical magnetometry with micrometer spatial resolution and a broadly tunable optical frequency lock.

  3. Semiconductor Plasmon Induced Up-Conversion Enhancement in mCu2-xS@SiO2@Y2O3:Yb3+/Er3+ Core-Shell Nanocomposites. (United States)

    Zhou, Donglei; Li, Dongyu; Zhou, Xiangyu; Xu, Wen; Chen, Xu; Liu, Dali; Zhu, Yongsheng; Song, Hongwei


    The ability to modulate the intensity of electromagnetic field by semiconductor plasmon nanoparticles is becoming attractive due to its unique doping-induced local surface plasmon resonance (LSPR) effect that is different from metals. Herein, we synthesized mCu2-xS@SiO2@Y2O3:Yb3+/Er3+ core-shell composites and experimentally and theoretically studied the semiconductor plasmon induced up-conversion enhancement and obtained 30-fold up-conversion enhancement compared with that of SiO2@Y2O3:Yb3+/Er3+ composites. The up-conversion enhancement was induced by the synthetic effect: the amplification of the excitation field and the increase of resonance energy transfer (ET) rate from Yb3+ ions to Er3+ ions. The experimental results were analyzed in the light of finite-difference time-domain (FDTD) calculations, confirming the effect of the amplification of the excitation field. In addition, up-conversion luminescence (UCL) spectra, up-conversion enhancement, and dynamics dependent on concentration (Yb3+ and Er3+ ions) were investigated, and it was found that the resonance ET rate from Yb3+ ions to Er3+ ions increased ∼25% in the effect of LSPR waves. Finally, the power dependence of fingerprint identification was successfully performed based on the mCu2-xS@SiO2@Y2O3:Yb3+/Er3+ core-shell composites, the color of which can change from green to orange with excitation power increasing. Our work opens up a new concept to design and fabricate the up-conversion core-shell structure based on semiconductor plasmon nanoparticles (NPs) and provides applications for up-conversion nanocrystals (UCNPs) and semiconductor plasmon NPs in photonics.

  4. Fabrication of the novel core-shell MCM-41@mTiO{sub 2} composite microspheres with large specific surface area for enhanced photocatalytic degradation of dinitro butyl phenol (DNBP)

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Xiao-Na; Wang, Hui-Long, E-mail:; Li, Zhen-Duo; Huang, Zhi-Qiang; Qi, Hui-Ping; Jiang, Wen-Feng


    Graphical abstract: The mesoporous MCM-41@mTiO{sub 2} composite microspheres with core/shell structure, well-crystallized mesoporous TiO{sub 2} layer, high specific surface, large pore volume and excellent photocatalytic activity were synthesized by combining sol-gel and simple hydrothermal treatment. - Highlights: • The mesoporous MCM-41@mTiO{sub 2} composite was synthesized successfully. • The composite was facilely prepared by combining sol-gel and hydrothermal method. • The composite exhibited high photocatalytic degradation activity for DNBP. • The composite photocatalyst has excellent reproducibility. - Abstract: The mesoporous MCM-41@mTiO{sub 2} core-shell composite microspheres were synthesized successfully by combining sol-gel and simple hydrothermal treatment. The morphology and microstructure characteristics of the synthesized materials were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), N{sub 2} adsorption-desorption measurements, X-ray powder diffraction (XRD), UV–vis diffuse reflectance spectra (UV–vis/DRS) and Fourier transform infrared spectroscopy (FT-IR). The results indicate that the composite material possesses obvious core/shell structure, a pure mesoporous and well-crystallized TiO{sub 2} layer (mTiO{sub 2}), high specific surface area (316.8 m{sup 2}/g), large pore volume (0.42 cm{sup 3}/g) and two different pore sizes (2.6 nm and 11.0 nm). The photocatalytic activity of the novel MCM-41@mTiO{sub 2} composite was evaluated by degrading 2-sec-butyl-4,6-dinitrophenol (DNBP) in aqueous suspension under UV and visible light irradiation. The results were compared with commercial anatase TiO{sub 2} and Degussa P25 and the enhanced degradation were obtained with the synthesized MCM-41@mTiO{sub 2} composite under the same conditions, which meant that this material can serve as an efficient photocatalyst for the degradation of hazardous organic pollutants in wastewaters.

  5. mRNA-Seq and microarray development for the Grooved Carpet shell clam, Ruditapes decussatus: a functional approach to unravel host-parasite interaction. (United States)

    Leite, Ricardo B; Milan, Massimo; Coppe, Alessandro; Bortoluzzi, Stefania; dos Anjos, António; Reinhardt, Richard; Saavedra, Carlos; Patarnello, Tomaso; Cancela, M Leonor; Bargelloni, Luca


    The Grooved Carpet shell clam Ruditapes decussatus is the autochthonous European clam and the most appreciated from a gastronomic and economic point of view. The production is in decline due to several factors such as Perkinsiosis and habitat invasion and competition by the introduced exotic species, the manila clam Ruditapes philippinarum. After we sequenced R. decussatus transcriptome we have designed an oligo microarray capable of contributing to provide some clues on molecular response of the clam to Perkinsiosis. A database consisting of 41,119 unique transcripts was constructed, of which 12,479 (30.3%) were annotated by similarity. An oligo-DNA microarray platform was then designed and applied to profile gene expression in R. decussatus heavily infected by Perkinsus olseni. Functional annotation of differentially expressed genes between those two conditionswas performed by gene set enrichment analysis. As expected, microarrays unveil genes related with stress/infectious agents such as hydrolases, proteases and others. The extensive role of innate immune system was also analyzed and effect of parasitosis upon expression of important molecules such as lectins reviewed. This study represents a first attempt to characterize Ruditapes decussatus transcriptome, an important marine resource for the European aquaculture. The trancriptome sequencing and consequent annotation will increase the available tools and resources for this specie, introducing the possibility of high throughput experiments such as microarrays analysis. In this specific case microarray approach was used to unveil some important aspects of host-parasite interaction between the Carpet shell clam and Perkinsus, two non-model species, highlighting some genes associated with this interaction. Ample information was obtained to identify biological processes significantly enriched among differentially expressed genes in Perkinsus infected versus non-infected gills. An overview on the genes related with

  6. Y2O3:Yb,Er@mSiO2-CuxS double-shelled hollow spheres for enhanced chemo-/photothermal anti-cancer therapy and dual-modal imaging (United States)

    Yang, Dan; Yang, Guixin; Wang, Xingmei; Lv, Ruichan; Gai, Shili; He, Fei; Gulzar, Arif; Yang, Piaoping


    Multifunctional composites have gained significant interest due to their unique properties which show potential in biological imaging and therapeutics. However, the design of an efficient combination of multiple diagnostic and therapeutic modes is still a challenge. In this contribution, Y2O3:Yb,Er@mSiO2 double-shelled hollow spheres (DSHSs) with up-conversion fluorescence have been successfully prepared through a facile integrated sacrifice template method, followed by a calcination process. It is found that the double-shelled structure with large specific surface area and uniform shape is composed of an inner shell of luminescent Y2O3:Yb,Er and an outer mesoporous silica shell. Ultra small CuxS nanoparticles (about 2.5 nm) served as photothermal agents, and a chemotherapeutic agent (doxorubicin, DOX) was then attached onto the surface of mesoporous silica, forming a DOX-DSHS-CuxS composite. The composite exhibits high anti-cancer efficacy due to the synergistic photothermal therapy (PTT) induced by the attached CuxS nanoparticles and the enhanced chemotherapy promoted by the heat from the CuxS-based PTT when irradiated by 980 nm near-infrared (NIR) light. Moreover, the composite shows excellent in vitro and in vivo X-ray computed tomography (CT) and up-conversion fluorescence (UCL) imaging properties owing to the doped rare earth ions, thus making it possible to achieve the target of imaging-guided synergistic therapy.Multifunctional composites have gained significant interest due to their unique properties which show potential in biological imaging and therapeutics. However, the design of an efficient combination of multiple diagnostic and therapeutic modes is still a challenge. In this contribution, Y2O3:Yb,Er@mSiO2 double-shelled hollow spheres (DSHSs) with up-conversion fluorescence have been successfully prepared through a facile integrated sacrifice template method, followed by a calcination process. It is found that the double-shelled structure with large

  7. Chemistry with bigger, better atoms

    Indian Academy of Sciences (India)


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

  8. Small bipolarons and extended states of guest Na and Rb atoms in quasi-two-dimensional disordered M7.8 -δAl7.8Si8.2O32.0 (M =Na, Rb) (United States)

    Hettiarachchi, Gayan Prasad; Moriasa, Fumiya; Nishida, Yoshihumi; Nakano, Takehito; Muhid, Mohd Nazlan Mohd; Hamdan, Halimaton


    The evolution of the electronic properties of guest Na and Rb atoms in a disordered deformable lattice is investigated for a series of guest-atom densities n . The quasi-two-dimensional host M7.8 -δAl7.8Si8.2O32.0 (M =Na, Rb), known as zeolite P, is used. The Na system is a stubborn bipolaronic insulator to the maximum n of 1.03. In contrast, the Rb system exhibits a crossover from a bipolaronic insulator to a conducting phase analogous to a disordered metal at n = 0.89. A critical region undergoing polaronic melting appears in the vicinity of the crossover on the insulating side, evidenced by a reduction in the small bipolaron absorption band and a drop in the activation energy. Transition to the conducting phase coincides with the appearance of a midinfrared band and an increase in the charge-carrier decay length, suggesting the polaronic and extended nature of the carriers. These findings constitute rare examples of electron-lattice coupling opening (or closing) a mobility gap and scaling the continuity (or discontinuity) of a conducting transition in the face of disorder.

  9. Una mirada a medio siglo de cimentaciones laminares, métodos de cálculo e investigaciones asociadas en Cuba A look at half a century of shells foundations, methods of calculation and associate research in Cuba

    Directory of Open Access Journals (Sweden)

    Ángel Emilio Castañeda


    Full Text Available El trabajo presenta un resumen de las cimentaciones laminares más significativas construidas en Cuba en los últimos decenios y los desarrollos asociados a estas en cuanto a métodos de cálculo de láminas y cascarones de geometría compleja mediante superficies y cuerpos de referencia, a partir de la generalización del método de las solicitaciones proyectadas (Pücher, 1934 con el empleo de superficies de referencia (Hernández, 1970 y otros desarrollos alcanzados en la mecánica del sólido deformable mediante el Método de la Dualidad (Rianitsiyn, 1974; Castañeda, 1993 y la Analogía estático-geométrica en la mecánica del sólido deformable (Castañeda, 1985. Incluye además una síntesis de las investigaciones desarrolladas en los últimos años sobre el estado tenso-deformacional del suelo bajo cimentaciones laminares para chimeneas de 74,5 m en Centrales Azucareros (Cobelo, 2004, estudios comparativos realizados a estas con el empleo del MEF (González, 2010 y otros proyectos investigativos en ejecución actualmente (Álvarez, 2010.The work shows a summary of the most significant shells foundations built in Cuba in the last decades and the developments related to these in term of methods of calculation of plates and shells of complex geometry using reference surfaces and reference bodies, from the generalization of the projected solicitations method (Pücher, 1934 with the use of referential surfaces (Hernández, 1970 and other developments made in the mechanics of deformable solid by the Method of Duality (Rianitsiyn, 1974; Castañeda, 1993 and the Static-Geometric Analogy in the mechanics of the deformable solid (Castañeda, 1985.It also includes a summary of the research developed in recent years on the stress-strain states of soil under and inside shell foundations for chimneys of 74.5 m in sugar industries (Cobelo, 2004, comparative studies made of these with the use of the FEM (González, 2010 and other research projects

  10. Controlled decoration of Pd on Ni(OH)2 nanoparticles by atomic layer deposition for high ethanol oxidation activity (United States)

    Jiang, Yiwu; Chen, Jinwei; Zhang, Jie; Zeng, Yaping; Wang, Yichun; Zhou, Feilong; Kiani, Maryam; Wang, Ruilin


    A new catalysts electrode was prepared by in situ controllable deposition of Pd shell layer on the gas diffusion layer (GDL) supported Ni(OH)2 nanoparticles using atomic layer deposition (ALD) technology. High resolution transmission electron microscope confirmed that the Ni(OH)2 core was coated by several atomic layers of Pd. The core-shell Ni(OH)2@Pd catalysts with different thickness of Pd shell are easily prepared by controlling ALD cycle. Electrochemical tests showed that the 100-Ni(OH)2@Pd/GDL catalyst prepared via 100 ALD cycles presented the highest catalytic activity for ethanol electro-oxidation reaction (EOR). The peaking current density of Ni(OH)2@Pd/GDL was 1439 mA mgPd-1, which was about 2.75 times as high as that of Pd/GDL (522 mA mgPd-1). The shift in binding energy of the XPS peak of Pd in Ni(OH)2@Pd catalyst confirmed the strong interaction between the Pd shell and the Ni(OH)2 core. We suggested that the high catalytic activity of Ni(OH)2@Pd/GDL catalyst layer may be due to following factors: high Pd dispersion arising from the core-shell structure, high Pd utilization because of the in situ deposition of Pd on catalyst layer and the interaction between the Pd shell and the Ni(OH)2 core. Herein, the ALD technology exhibits a promising application prospect for preparing core-shell structure and precisely controlling shell thickness of nano-composite as an electro-catalyst toward EOR.

  11. A luminescent and mesoporous core-shell structured Gd2O3 : Eu(3+)@nSiO2@mSiO2 nanocomposite as a drug carrier. (United States)

    Xu, Zhenhe; Gao, Yu; Huang, Shanshan; Ma, Ping' an; Lin, Jun; Fang, Jiye


    In this paper, Gd(2)O(3) : Eu(3+) nanospheres have been encapsulated with nonporous silica and further layer of ordered mesoporous silica through a simple sol-gel process. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N(2) adsorption/desorption, photoluminescence (PL) spectra, and kinetic decay were used to characterize the sample. The results indicate that the nanocomposite with general 50 nm shell thickness and 270 nm core size shows typical ordered mesoporous characteristics (2.4 nm) and has spherical morphology with a smooth surface and narrow size distribution. Additionally, the obtained inorganic nanocomposite shows the characteristic emission of Eu(3+) ((5)D(0)→(7)F(1-4)) even after the loading of drug molecules. The biocompatibility test on L929 fibroblast cells using MTT assay reveals low cytotoxicity of the system. Most importantly, the nanocomposite can be used as an effective drug delivery carrier. A typical anticancer drug, doxorubicin hydrochloride (DOX), was used for drug loading, and the DOX release, cytotoxicity, uptake behavior and therapeutic effects were examined. It was found that DOX is shuttled into the cell by the nanocomposite and released inside cells after endocytosis and that the DOX-loaded nanocomposite exhibited greater cytotoxicity than free DOX. These results indicate that core-shell structured Gd(2)O(3) : Eu(3+)@nSiO(2)@mSiO(2) nanocomposite has potential for drug loading and delivery into cancer cells to induce cell death.

  12. 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...

  13. Shell concrete pavement. (United States)


    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...

  14. Precision mass measurements of Cd-127125 isotopes and isomers approaching the N =82 closed shell (United States)

    Lascar, D.; Klawitter, R.; Babcock, C.; Leistenschneider, E.; Stroberg, S. R.; Barquest, B. R.; Finlay, A.; Foster, M.; Gallant, A. T.; Hunt, P.; Kelly, J.; Kootte, B.; Lan, Y.; Paul, S. F.; Phan, M. L.; Reiter, M. P.; Schultz, B.; Short, D.; Simonis, J.; Andreoiu, C.; Brodeur, M.; Dillmann, I.; Gwinner, G.; Holt, J. D.; Kwiatkowski, A. A.; Leach, K. G.; Dilling, J.


    We present the results of precision mass measurements of neutron-rich cadmium isotopes. These nuclei approach the N =82 closed neutron shell and are important to nuclear structure as they lie near doubly magic 132Sn on the chart of nuclides. Of particular note is the clear identification of the ground-state mass in 127Cd along with the isomeric state. We show that the ground state identified in a previous mass measurement which dominates the mass value in the Atomic Mass Evaluation is an isomeric state. In addition to Cd/m127, we present other cadmium masses measured (Cd/m125 and 126Cd) in a recent TITAN experiment at TRIUMF. Finally, we compare our measurements to new ab initio shell-model calculations and comment on the state of the field in the N =82 region.

  15. PLA-PEG nanocapsules radiolabeled with 99mTechnetium-HMPAO: release properties and physicochemical characterization by atomic force microscopy and photon correlation spectroscopy. (United States)

    Pereira, Maira Alves; Mosqueira, Vanessa Carla Furtado; Vilela, José Mário Carneiro; Andrade, Margareth Spangler; Ramaldes, Gilson Andrade; Cardoso, Valbert Nascimento


    The present work describes the preparation, characterization and labelling of conventional and surface-modified nanocapsules (NC) with 99m Tc-HMPAO. The size, size distribution and homogeneity were determined by photon correlation spectroscopy (PCS) and zeta potential by laser doppler anemometry. The morphology and the structural organization were evaluated by atomic force microscopy (AFM). The stability and release profile of the NC were determined in vitro in plasma. The results showed that the use of methylene blue induces significant increase in the encapsulation efficiency of 99m Tc-HMPAO, from 24.4 to 49.8% in PLA NC and 22.37 to 52.93% in the case of PLA-PEG NC (P<0.05) by improving the complex stabilization. The average diameter of NC calculated by PCS varied from 216 to 323 nm, while the average diameter determined by AFM varied from 238 to 426 nm. The AFM analysis of diameter/height ratios suggested a greater homogeneity of the surface-modified PLA-PEG nanocapsules compared to PLA NC concerning their flattening properties. The in vitro release of the 99m Tc-HMPAO in plasma medium was faster for the conventional PLA NC than for the surface-modified NC. For the latter, 60% of the radioactivity remained associated with NC, even after 12h of incubation. The results suggest that the surface-modified 99m Tc-HMPAO-PLA-PEG NC was more stable against label leakage in the presence of proteins and could present better performance as radiotracer in vivo.

  16. Laser-modified electron scattering from a slowly ionising atom (United States)

    Fiordilino, E.; Mittleman, M. H.


    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.

  17. Waltzing route toward double-helix formation in cholesteric shells (United States)

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


    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

  18. 99mTc radiolabelling of Fe3O4–Au core–shell and Au–Fe3O4dumbbell-like nanoparticles


    Felber, Michael; Alberto, Roger


    The development of nanoparticle-based dual-modality probes for magnetic resonance imaging (MRI) and positron emission tomography (PET) or single photon emission computed tomography (SPECT) is increasingly growing in importance. One of the most commonly used radionuclides for clinical SPECT imaging is 99mTc and the labelling of Fe3O4 nanoparticles with 99mTc was shown to be a successful strategy to obtain dual-modality imaging agents. In this work, we focus on gold containing magnetic nanomate...

  19. Fluctuating shells under pressure (United States)

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


    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

  20. Cloaking by shells with radially inhomogeneous anisotropic permittivity. (United States)

    Reshetnyak, V Yu; Pinkevych, I P; Sluckin, T J; Evans, D R


    We model electromagnetic cloaking of a spherical or cylindrical nanoparticle enclosed by an optically anisotropic and optically inhomogeneous symmetric shell, by examining its electric response in a quasi-static uniform electric field. When the components of the shell permittivity are radially anisotropic and power-law dependent (ε~r(m)) whereris distance to the shell center, and m a positive or negative exponent which can be varied), the problem is analytically tractable. Formulas are calculated for the degree of cloaking in the general case, allowing the determination of a dielectric condition for the shells to be used as an invisibility cloak. Ideal cloaking is known to require that homogeneous shells exhibit an infinite ratio of tangential and radial components of the shell permittivity, but for radially inhomogeneous shells ideal cloaking can occur even for finite values of this ratio.

  1. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

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


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

  2. Atomic Physics

    CERN Document Server

    Foot, Christopher J


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

  3. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

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


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

  4. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S


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

  5. Magnetism of electrons in atoms and superatoms (United States)

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


    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.

  6. Shell-like structures

    CERN Document Server

    Altenbach, Holm


    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

  7. Stability of core-shell nanowires in selected model solutions (United States)

    Kalska-Szostko, B.; Wykowska, U.; Basa, A.; Zambrzycka, E.


    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.

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

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


    molecular charge density ρ(r) is partitioned into Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge densities ρ(r) on a grid. Atomic charges q and multipoles Qlma are calculated from the partitioned atomic charge densities ρ(r) by numerical integration. Solution method: Molecular and isolated atomic grids are generated for the molecule of interest. The ab initio density matrix P and basis functions χ(r) are read in from 'formatted checkpoint' files obtained from the Gaussian 03 or 09 quantum chemistry programs. The ab initio density is evaluated for the molecule and the isolated atoms/atomic ions on grids and used to construct Hirshfeld (HD) and Hirshfeld-I (HD-I) partitioned atomic charges densities ρ(r), which are used to calculate atomic charges q and atomic multipoles Qlma by integration. Restrictions: The ab initio density matrix can be calculated at the HF, DFT, MP2, or CCSD levels with ab initio Gaussian basis sets that include up to s, p, d, f, g functions for either closed shell or open shell molecules. Running time: The running time varies with the size of the molecule, the size of the ab initio basis set, and the coarseness of the desired grid. The run time can range from a minute or less for water to ˜15 minutes for neopentane.

  9. Corrosion behaviour of groundnut shell ash and silicon carbide hybrid reinforced Al-Mg-Si alloy matrix composites in 3.5% NaCl and 0.3M H2SO4 solutions

    Directory of Open Access Journals (Sweden)

    Kenneth Kanayo ALANEME


    Full Text Available The corrosion behaviour of Al-Mg-Si alloy based composites reinforced with groundnut shell ash (GSA and silicon carbide (SiC was investigated. The aim is to assess the corrosion properties of Al-Mg-Si alloy based hybrid reinforced composites developed using different mix ratios of GSA (a cheaply processed agro waste derivative which served as partial replacement for SiC and SiC as reinforcing materials. GSA and SiC mixed in weight ratios 0:1, 1:3, 1:1, 3:1, and 1:0 were utilized to prepare 6 and 10 wt% of the reinforcing phase with Al‐Mg‐Si alloy as matrix using two‐step stir casting method. Mass loss and corrosion rate measurement was used to study the corrosion behaviour of the produced composites in 3.5% NaCl and 0.3M H2SO4 solutions. The results show that the Al-Mg-Si alloy based composites containing 6 and 10 wt% GSA and SiC in varied weight ratios were resistant to corrosion in 3.5% NaCl solution. The composites were however more susceptible to corrosion in 0.3M H2SO4 solution (in comparison with the 3.5% NaCl solution. It was noted that the Al-Mg-Si/6 wt% GSA-SiC hybrid composite grades containing GSA and SiC in weight ratio 1:3 and 3:1 respectively exhibited superior corrosion resistance in the 0.3M H2SO4 solution compared to other composites produced for this series. In the case of the Al-Mg-Si/10 wt% GSA-SiC hybrid composite grades, the corrosion resistance was relatively superior for the composites containing a greater weight ratio of GSA (75% and 100% in 0.3M H2SO4 solution.

  10. From Atoms to Solids (United States)


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


    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, ...

  12. Learning the Bash Shell

    CERN Document Server

    Newham, Cameron


    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!

  13. Photocatalysis of S-metolachlor in aqueous suspension of magnetic cerium-doped mTiO2core-shell under simulated solar light. (United States)

    Mermana, J; Sutthivaiyakit, P; Blaise, C; Gagné, F; Charnsethikul, S; Kidkhunthod, P; Sutthivaiyakit, S


    Magnetic cerium-doped mesoporous titanium dioxide was synthesized by combining sol-gel method and calcination using tetrabutanate and ammonium cerium nitrate as precursors and Pluronic P123 as a template coating on iron oxide covered with carbon in ethanol. The magnetic Ce-doped catalyst showed only anatase structure with a slight increase in lattice parameters compared to the undoped catalyst. The Ce L III -edge X-ray absorption near-edge spectroscopy (XANES) spectra showed Ce 3+ , and the cerium substitution doping into titanium dioxide was proposed. Degradation of S-metolachlor in aqueous magnetic photocatalyst suspension followed (pseudo) first-order kinetics in the presence of 0.5 g L -1 of γ-Fe 2 O 3 @C@0.16 mol% Ce-mTiO 2 with a half-life of 55.18 ± 1.63 min. Fifteen degradation products were identified, and their transformation routes of the photocatalytic degradation were then proposed. Complementary toxicity assessment of the treated S-metolachlor solution was undertaken with Environment Canada's algal microplate assay measuring growth inhibition (72-h IC 50 ) in the freshwater chlorophyte Pseudokirchneriella subcapitata. This test method revealed a significant decrease in toxicity (1.7-fold reduction after 180 min of irradiation treatment), thereby confirming that the by-products formed following photocatalysis would be less harmful from an environmental point of view. Photocatalytic degradation of S-metolachlor thus appears to hold promise as a cost-effective treatment technology to diminish the presence of this herbicide in aquatic systems.

  14. «Auferstehen müssen die Toten». Atomare Apokalypse in Kurt Becsis «Atom vor Christus»

    Directory of Open Access Journals (Sweden)

    Emilia Fiandra


    Full Text Available The atomic play Atom vor Christus (1952 by the Viennese playwright Kurt Becsi (1920-1988 is one of the very numerous works on the subject of the nuclear threat that appeared in German-speaking countries in the 1950s and ’60s. This article investigates the complex Christian religious discourse that embeds the dramatization of atomic issues and apocalyp­tic ideas of the End in Becsi’s play. Special focus is given to such aspects as the struggle between generations and, in particular, the conflict between the unscrupulous scientist (and his hubris and the figure of the repentant bomber pilot that becomes a monk (Science versus love, logic versus Christian grace.

  15. 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)


    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.

  16. Atomic physics

    CERN Document Server

    Born, Max


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

  17. Early Atomism

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

  18. Core-shell ellipsoidal MnCo₂O₄ anode with micro-/nano-structure and concentration gradient for lithium-ion batteries. (United States)

    Huang, Guoyong; Xu, Shengming; Xu, Zhenghe; Sun, Hongyu; Li, Linyan


    In this study, novel core-shell ellipsoidal MnCo2O4 powders with desired micro/nano-structure and a unique concentration gradient have been synthesized as anode material for Li-ion batteries. The special porous ellipsoid (2.5-4.5 μm in the long axis, 1.5-2.5 μm in the short axis, 200-300 nm in the thickness of shell) is built up by irregular nanoparticles attached to each other, and corresponding to the ellipsoid with concentration gradient, the Co/Mn atomic ratios of core and shell are about 1.76:1 and 2.34:1, respectively. The good performance, including high initial discharge capacities (1433.3 mAhg(-1) at 0.1 Ag(-1) and 1248.4 mAhg(-1) at 0.4 Ag(-1)), advanced capacity retention (∼900.0 mAhg(-1) after 60 cycles at 0.1 Ag(-1)), and fair rate performance (∼620.0 mAhg(-1) after 50 cycles at 0.4 Ag(-1)) has been measured by the battery test. Remarkably, the ellipsoidal shape and core-shell microstructure with concentration gradient are still maintained after 70 cycles of charge/discharge at 0.1 Ag(-1).

  19. Shell architecture and its relation to shell occupation by the hermit crab Clibanarius antillensis under different wave action conditions

    Directory of Open Access Journals (Sweden)

    Araceli Argüelles


    Full Text Available We studied the intertidal hermit crab Clibanarius antillensis at Montepio Beach, Veracruz, Mexico, to determine whether architecture and weight of occupied shells varied with the degree of exposure to wave action. Data on shell use were obtained from 30-m transects perpendicular to the shoreline. The gastropod shells species used by C. antillensis were classified into four groups according to their morphology: neritiform, conical, turriculate, and turbinate. Neither the size nor the weight of hermit crabs varied along transects. A pattern showing differential use of shell type according to water velocity was detected. Neritiform and turriculate shells were the least occupied, and their abundance decreased with increasing water velocities. Conical and turbinate shells were the most used and their presence increased with increasing water velocities. Turbinate and conical shells are heavier and have a higher weight/exposed-area ratio than neritiform and turriculate shells, so using them at higher energy sites seems to be more advantageous than using turriculate shells. The pattern that emerges is one in which C. antillensis occupy different shells along the intertidal transect, probably due to the advantages that different shells may bring, such as minimising drag and the risk of dislodgement.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Kedong, E-mail: [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: [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China)


    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.

  1. Measurements of the line resolved M-shell X-ray production cross sections for 79Au, 82Pb and 83Bi by 100 keV/u proton, C, N, O ions (United States)

    Shehla; Kumar, Ajay; Bagdia, C.; Kumar, Anil; Misra, D.; Puri, Sanjiv; Tribedi, L. C.


    The cross sections for production of the Mk (k = ξ, αβ, γ, m1) X-rays of 79Au, 82Pb and 83Bi induced by the 100 keV/u proton, C4+, N5+ and O6+ ions have been measured in the present work. The experimental cross sections have been compared with the earlier reported values and those calculated using the ionization cross sections based on the ECPSSR model, the X-ray emission rates based on the Dirac-Fock model, the fluorescence and Coster-Kronig yields based on the Dirac-Hartree-Slater model. In addition, the present measured proton induced X-ray production cross sections have also been compared with those calculated using the Dirac-Hartree-Slater model based ionization cross sections. The intensity ratios among the Mk X-rays have been deduced and compared with the theoretical values. The present measured Mk (k = ξ, αβ, γ, m1) X-ray production cross sections are found to be very high as compared to the theoretical values. The total M X-ray production cross sections for the targets under investigation exhibited Zp2 dependence; Zp denotes the projectile atomic number.

  2. Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX (United States)

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


    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.

  3. Shells and Patterns (United States)

    Sutley, Jane


    "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…

  4. 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:; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui [Nanjing Tech University, School of Chemistry and Molecular Engineering, Institute of Advanced Synthesis (IAS) (China)


    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.

  5. 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 ...

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

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


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

  7. Fabricating a Homogeneously Alloyed AuAg Shell on Au Nanorods to Achieve Strong, Stable, and Tunable Surface Plasmon Resonances

    KAUST Repository

    Huang, Jianfeng


    Colloidal metal nanocrystals with strong, stable, and tunable localized surface plasmon resonances (SPRs) can be useful in a corrosive environment for many applications including field-enhanced spectroscopies, plasmon-mediated catalysis, etc. Here, a new synthetic strategy is reported that enables the epitaxial growth of a homogeneously alloyed AuAg shell on Au nanorod seeds, circumventing the phase segregation of Au and Ag encountered in conventional synthesis. The resulting core–shell structured bimetallic nanorods (AuNR@AuAg) have well-mixed Au and Ag atoms in their shell without discernible domains. This degree of mixing allows AuNR@AuAg to combine the high stability of Au with the superior plasmonic activity of Ag, thus outperforming seemingly similar nanostructures with monometallic shells (e.g., Ag-coated Au NRs (AuNR@Ag) and Au-coated Au NRs (AuNR@Au)). AuNR@AuAg is comparable to AuNR@Ag in plasmonic activity, but that it is markedly more stable toward oxidative treatment. Specifically, AuNR@AuAg and AuNR@Ag exhibit similarly strong signals in surface-enhanced Raman spectroscopy that are some 30-fold higher than that of AuNR@Au. When incubated with a H2O2 solution (0.5 m), the plasmonic activity of AuNR@Ag immediately and severely decayed, whereas AuNR@AuAg retained its activity intact. Moreover, the longitudinal SPR frequency of AuNR@AuAg can be tuned throughout the red wavelengths (≈620–690 nm) by controlling the thickness of the AuAg alloy shell. The synthetic strategy is versatile to fabricate AuAg alloyed shells on different shaped Au, with prospects for new possibilities in the synthesis and application of plasmonic nanocrystals.

  8. Geochemical aspects of Meretrix casta (bivalve) shells of Vellar ...

    African Journals Online (AJOL)



    May 14, 2014 ... recently, shells were burnt merely for mortar and plaster in building work. But, now it is vastly used in paper mills, rayon fibre, calcium carbide, white ... In the future, M. casta shells will play significant role in sustainable industrial development as well as in countries economic growth, because these are.

  9. Controlling core/shell Au/FePt nanoparticle electrocatalysis via changing the core size and shell thickness (United States)

    Sun, Xiaolian; Li, Dongguo; Guo, Shaojun; Zhu, Wenlei; Sun, Shouheng


    Using a modified seed-mediated method, we synthesized core/shell Au/FePt nanoparticles (NPs) with Au sizes of 4, 7, and 9 nm and the FePt shell was controlled to have similar FePt compositions and 0.5, 1, and 2 nm thickness. We studied both core and shell effects on electrochemical and electrocatalytic properties of the Au/FePt NPs, and found that the Au core did change the redox chemistry of the FePt shell and promoted its electrochemical oxidation of methanol. The catalytic activity was dependent on the FePt thicknesses, but not much on the Au core sizes, and the 1 nm FePt shell was found to be the optimal thickness for catalyzing methanol oxidation in 0.1 M HClO4 + 0.1 M methanol, offering not only high activity (1.19 mA cm-2 at 0.5 V vs. Ag/AgCl), but also enhanced stability. Our studies demonstrate a general approach to the design and tuning of shell catalysis in the core/shell structure to achieve optimal catalysis for important electrochemical reactions.Using a modified seed-mediated method, we synthesized core/shell Au/FePt nanoparticles (NPs) with Au sizes of 4, 7, and 9 nm and the FePt shell was controlled to have similar FePt compositions and 0.5, 1, and 2 nm thickness. We studied both core and shell effects on electrochemical and electrocatalytic properties of the Au/FePt NPs, and found that the Au core did change the redox chemistry of the FePt shell and promoted its electrochemical oxidation of methanol. The catalytic activity was dependent on the FePt thicknesses, but not much on the Au core sizes, and the 1 nm FePt shell was found to be the optimal thickness for catalyzing methanol oxidation in 0.1 M HClO4 + 0.1 M methanol, offering not only high activity (1.19 mA cm-2 at 0.5 V vs. Ag/AgCl), but also enhanced stability. Our studies demonstrate a general approach to the design and tuning of shell catalysis in the core/shell structure to achieve optimal catalysis for important electrochemical reactions. Electronic supplementary information (ESI

  10. Biodegradable Core–Multishell Nanocarriers: Influence of Inner Shell Structure on the Encapsulation Behavior of Dexamethasone and Tacrolimus

    Directory of Open Access Journals (Sweden)

    Michael L. Unbehauen


    Full Text Available We here present the synthesis and characterization of a set of biodegradable core–multishell (CMS nanocarriers. The CMS nanocarrier structure consists of hyperbranched polyglycerol (hPG as core material, a hydrophobic (12, 15, 18, 19, and 36 C-atoms inner and a polyethylene glycol monomethyl ether (mPEG outer shell that were conjugated by ester bonds only to reduce the toxicity of metabolites. The loading capacities (LC of the drugs, dexamethasone and tacrolimus, and the aggregate formation, phase transitions, and degradation kinetics were determined. The intermediate inner shell length (C15 system had the best overall performance with good LCs for both drugs as well as a promising degradation and release kinetics, which are of interest for dermal delivery.

  11. Atomic theories

    CERN Document Server

    Loring, FH


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

  12. From shell logs to shell scripts


    Jacobs, Nico; Blockeel, Hendrik


    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...

  13. Atomic interferometry; Interferometrie atomique

    Energy Technology Data Exchange (ETDEWEB)

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


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

  14. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

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


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

  15. Fabrication of diamond shells (United States)

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


    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.

  16. Sensational spherical shells (United States)

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


    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.

  17. 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 ...

  18. Nitrogen-doped porous carbon from Camellia oleifera shells with enhanced electrochemical performance. (United States)

    Zhai, Yunbo; Xu, Bibo; Zhu, Yun; Qing, Renpeng; Peng, Chuan; Wang, Tengfei; Li, Caiting; Zeng, Guangming


    Nitrogen doped porous activated carbon was prepared by annealing treatment of Camellia oleifera shell activated carbon under NH3. We found that nitrogen content of activated carbon up to 10.43 at.% when annealed in NH3 at 800 °C. At 600 °C or above, the N-doped carbon further reacts with NH3, leads to a low surface area down to 458 m(2)/g and low graphitization degree. X-ray photoelectron spectroscope (XPS) analysis indicated that the nitrogen functional groups on the nitrogen-doped activated carbons (NACs) were mostly in the form of pyridinic nitrogen. We discovered that the oxygen groups and carbon atoms at the defect and edge sites of graphene play an important role in the reaction, leading to nitrogen atoms incorporated into the lattice of carbon. When temperatures were lower than 600 °C the nitrogen atoms displaced oxygen groups and formed nitrogen function groups, and when temperatures were higher than 600 °C and ~4 at.% carbon atoms and part of oxygen function groups reacted with NH3. When compared to pure activated carbon, the nitrogen doped activated carbon shows nearly four times the capacitance (191 vs 51 F/g). Copyright © 2015 Elsevier B.V. All rights reserved.

  19. NIF Double Shell outer/inner shell collision experiments (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.


    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.

  20. Contemporary models of the atomic nucleus

    CERN Document Server

    Nemirovskii, P E


    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

  1. Atomic bomb and leukemia

    Energy Technology Data Exchange (ETDEWEB)

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


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

  2. Visualization of Bacterial Microcompartment Facet Assembly Using High-Speed Atomic Force Microscopy. (United States)

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


    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.

  3. Atomic arias (United States)

    Crease, Robert P.


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

  4. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.


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

  5. Temporal structures in shell models

    DEFF Research Database (Denmark)

    Okkels, F.


    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...

  6. Shell nu zelf onder vuur!

    NARCIS (Netherlands) Ruud Thelosen


    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.

  7. Temporal Structures in Shell Models


    Okkels, Fridolin


    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.

  8. CFD modelling of shell-side asphaltenes deposition in a shell and tube heat exchanger (United States)

    Emani, Sampath; Ramasamy, M.; Shaari, Ku Zilati Ku


    Asphaltenes are identified as the main cause of crude oil fouling in the shell and tube exchangers. There are occasions where the crude oil flows through the shell side of the heat exchangers and some fouling is reported in the shell side of those heat exchangers. Understanding the fouling phenomena in the shell sides requires the knowledge on the irregular fluid flow paths and most susceptible locations of particles deposition. In the present work, an attempt has been made to investigate the effect of shear stress and surface roughness on shell-side asphaltenes deposition in a shell and tube heat exchanger through Computational Fluid Dynamics approach. The hydrodynamics of asphaltenes particles and the effect of various forces on the asphaltenes deposition on the heat transfer surfaces has been investigated through a Lagrangian based discrete-phase model. From the CFD analysis, the net mass deposition of the asphaltenes particles reduces with an increase in surface roughness from 0 to 0.04 mm and wall shear stress from 0 to 0.04 Pa for flow velocity 1 m/s, respectively. The asphaltenes mass deposition becomes constant with further increase in wall shear stress and surface roughness.

  9. Windows Server 2012 -palvelimen hallinta PowerShell-komennoilla


    Pitkänen, Henri


    män opinnäytetyön tavoitteena oli perehtyä Windows Server 2012 -palvelimen ja aktiivihakemiston hallintaan käyttäen Windows PowerShell -komentotulkkia. PowerShell on Microsoftin kehittämä komentotulkki ja skriptausympäristö, jonka tarkoitus on tehostaa ja automatisoida Windows-käyttöjärjestelmien ja sovellusten hallintaa komentorivin ja skriptien avulla. Opinnäytetyössä käsiteltiin Windows Server 2012 -käyttöjärjestelmään, aktiivihakemistoon ja Windows PowerShell -komentotulkkiin liitty...

  10. Pharmacophore modelling, atom-based 3D-QSAR generation and virtual screening of molecules projected for mPGES-1 inhibitory activity. (United States)

    Misra, S; Saini, M; Ojha, H; Sharma, D; Sharma, K


    COX-2 inhibitors exhibit anticancer effects in various cancer models but due to the adverse side effects associated with these inhibitors, targeting molecules downstream of COX-2 (such as mPGES-1) has been suggested. Even after calls for mPGES-1 inhibitor design, to date there are only a few published inhibitors targeting the enzyme and displaying anticancer activity. In the present study, we have deployed both ligand and structure-based drug design approaches to hunt novel drug-like candidates as mPGES-1 inhibitors. Fifty-four compounds with tested mPGES-1 inhibitory value were used to develop a model with four pharmacophoric features. 3D-QSAR studies were undertaken to check the robustness of the model. Statistical parameters such as r2 = 0.9924, q2 = 0.5761 and F test = 1139.7 indicated significant predictive ability of the proposed model. Our QSAR model exhibits sites where a hydrogen bond donor, hydrophobic group and the aromatic ring can be substituted so as to enhance the efficacy of the inhibitor. Furthermore, we used our validated pharmacophore model as a three-dimensional query to screen the FDA-approved Lopac database. Finally, five compounds were selected as potent mPGES-1 inhibitors on the basis of their docking energy and pharmacokinetic properties such as ADME and Lipinski rule of five.

  11. Thin-shell wormholes constrained by cosmological observations (United States)

    Wang, Deng; Meng, Xin-He


    We investigate the thin-shell wormholes constrained by cosmological observations for the first time in the literature. Without loss of generality, we study the thin-shell wormholes in ωCDM model and analyze their stability under perturbations preserving the symmetry. Firstly, we constrain the ωCDM model using a combination of Union 2.1 SNe Ia data, the latest H(z) data and CMB data. Secondly, we use the constrained dark energy equation of state (EoS) ω which lies in [ - 1 . 05 , - 0 . 89 ] to investigate thin-shell wormholes generated by various black hole spacetimes. We find that the stable Schwarzschild and Reinssner-Nordström thin-shell wormholes constrained by cosmological observations do not exist. In addition, the method we developed can be applied in exploring the stable thin-shell wormholes from any black hole spacetime in the framework of any cosmological theory.

  12. Photoionization of open-shell Cl@C60 (United States)

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


    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. Atomic-Scale Determination of Active Facets on the MoVTeNb Oxide M1 Phase and Their Intrinsic Catalytic Activity for Ethane Oxidative Dehydrogenation. (United States)

    Melzer, Daniel; Xu, Pinghong; Hartmann, Daniela; Zhu, Yuanyuan; Browning, Nigel D; Sanchez-Sanchez, Maricruz; Lercher, Johannes A


    Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) has been used to image the basal {001} plane of the catalytically relevant M1 phase in MoVTeNb complex oxides. Facets {010}, {120}, and {210} are identified as the most frequent lateral termination planes of the crystals. Combination of STEM with He ion microscopy (HIM) images, Rietveld analysis, and kinetic tests reveals that the activation of ethane is correlated to the availability of facets {001}, {120}, and {210} at the surface of M1 crystals. The lateral facets {120} and {210} expose crystalline positions related to the typical active centers described for propane oxidation. Conversely, the low activity of the facet {010} is attributed to its configuration, consisting of only stable M6 O21 units connected by a single octahedron. Thus, we quantitatively demonstrated that differences in catalytic activity among M1 samples of equal chemical composition depend primarily on the morphology of the particles, which determines the predominant terminating facets. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Design of a self-aligned, wide temperature range (300 mK-300 K) atomic force microscope/magnetic force microscope with 10 nm magnetic force microscope resolution

    Energy Technology Data Exchange (ETDEWEB)

    Karcı, Özgür [NanoMagnetics Instruments Ltd., Hacettepe - İvedik OSB Teknokent, 1368. Cad., No: 61/33, 06370, Yenimahalle, Ankara (Turkey); Department of Nanotechnology and Nanomedicine, Hacettepe University, Beytepe, 06800 Ankara (Turkey); Dede, Münir [NanoMagnetics Instruments Ltd., Hacettepe - İvedik OSB Teknokent, 1368. Cad., No: 61/33, 06370, Yenimahalle, Ankara (Turkey); Oral, Ahmet, E-mail: [Department of Physics, Middle East Technical University, 06800 Ankara (Turkey)


    We describe the design of a wide temperature range (300 mK-300 K) atomic force microscope/magnetic force microscope with a self-aligned fibre-cantilever mechanism. An alignment chip with alignment groves and a special mechanical design are used to eliminate tedious and time consuming fibre-cantilever alignment procedure for the entire temperature range. A low noise, Michelson fibre interferometer was integrated into the system for measuring deflection of the cantilever. The spectral noise density of the system was measured to be ~12 fm/√Hz at 4.2 K at 3 mW incident optical power. Abrikosov vortices in BSCCO(2212) single crystal sample and a high density hard disk sample were imaged at 10 nm resolution to demonstrate the performance of the system.

  15. Celestial mechanics of planet shells (United States)

    Barkin, Yu V.; Vilke, V. G.


    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

  16. 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.


    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

  17. 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:; 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)


    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.

  18. HST/ACS observations of shell galaxies: inner shells, shell colours and dust (United States)

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


    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

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

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


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

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


    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.

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

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


    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. Sensitivity Analysis Applied to Atomic Data Used for X-ray Spectrum Synthesis (United States)

    Kallman, T.


    A great deal of work has been devoted to the accumulation of accurate quantities describing atomic processes for use in analysis of astrophysical spectra. But in many situations of interest the interpretation of a quantity which is observed, such as a line flux, depends on the results of a modeling- or spectrum synthesis code. The results of such a code depends in turn on many atomic rates or cross sections, and the sensitivity of the observable quantity on the various rates and cross sections may be non-linear and if so cannot easily be derived analytically. This paper describes simple numerical experiments designed to examine some of these issues. Similar studies have been carried out previously in the context of solar UV lines by Gianetti et al. (2000); Savin & Laming (2002) and in the context of the iron M shell UTA in NGC 3783 by Netzer (2004).

  3. Effect of solvent extraction on the atomic-absorption spectrophotometry in determination of ppM levels of cadmium with dithizone. (United States)

    Yamamoto, Y; Kumamaru, T; Hayashi, Y; Kanke, M


    Various organic solvents for cadmium dithizonate extraction have been examined for their suitability for subsequent absorption spectrophotometry. The solvents are discussed on the basis of their physical properties. Much enhanced sensitivity is achieved by use of a large aqueous phase/solvent volume ratio. Conditions for the determination of ppM levels of cadmium are described for nitrobenzene and n-butyl acetate as solvents. Dithizone and cadmium dithizonate are very stable in nitrobenzene. The extraction is completely quantitative over the pH range 3.5-10.0. Interference by diverse ions was studied, and their tolerance levels are given.

  4. Isotopic characteristics of shells Mytilus galloprovincialis from eastern coastal area of Adriatic Sea

    Directory of Open Access Journals (Sweden)

    Tjaša Kanduč


    Full Text Available Samples of Mytilus galloprovincialis were collected from entire Eastern Adriatic coast to determine δ18O and δ13C performed on calcite and aragonite shell layers. The aim of this work was to check whether shells of M. galloprovincialis are good environmental indicators (water temperature, salinity. Based on measured isotopic composition of oxygen in shell layers and assumed isotopic composition in water temperatures of calcite and aragonite of shell layers were calculated. The calculated temperatures for M. galloprovincialis shell growth of calcite and aragonite shell layer are in good agreement with measured temperatures of sea water. According to our results of δ18O and δ13C in shell layers we canseparate the locations of the investigated area into three groups: those with more influence of fresh water, those with less influence of fresh water and those of marine environments.

  5. 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)


    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.

  6. Multi-Shell Shell Model for Heavy Nuclei


    Sun, Yang; Wu, Cheng-Li


    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...

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

    Kizuka, Tokushi; Murata, Satoshi


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

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

    Traxler, Mallory A.

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

  9. Structural synergy in a core-shell spin crossover nanoparticle investigated by an electroelastic model (United States)

    Slimani, Ahmed; Khemakhem, Hamadi; Boukheddaden, Kamel


    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

  10. Cobalt(II), nickel(II) and copper(II) complexes of a hexadentate pyridine amide ligand. Effect of donor atom (ether vs. thioether) on coordination geometry, spin-state of cobalt and M(III)-M(II) redox potential. (United States)

    Pandey, Sharmila; Das, Partha Pratim; Singh, Akhilesh Kumar; Mukherjee, Rabindranath


    Using an acyclic hexadentate pyridine amide ligand, containing a -OCH(2)CH(2)O- spacer between two pyridine-2-carboxamide units (1,4-bis[o-(pyrydine-2-carboxamidophenyl)]-1,4-dioxabutane (H(2)L(9)), in its deprotonated form), four new complexes, [Co(II)(L(9))] (1) and its one-electron oxidized counterpart [Co(III)(L(9))][NO(3)]·2H(2)O (2), [Ni(II)(L(9))] (3) and [Cu(II)(L(9))] (4), have been synthesized. Structural analyses revealed that the Co(II) centre in 1 and the Ni(II) centre in 3 are six-coordinate, utilizing all the available donor sites and the Cu(II) centre in 4 is effectively five-coordinated (one of the ether O atoms does not participate in coordination). The structural parameters associated with the change in the metal coordination environment have been compared with corresponding complexes of thioether-containing hexadentate ligands. The μ(eff) values at 298 K of 1-4 correspond to S = 3/2, S = 0, S = 1 and S = 1/2, respectively. Absorption spectra for all the complexes have been investigated. EPR spectral properties of the copper(II) complex 4 have been investigated, simulated and analyzed. Cyclic voltammetric experiments in CH(2)Cl(2) reveal quasireversible Co(III)-Co(II), Ni(III)-Ni(II) and Cu(II)-Cu(I) redox processes. In going from ether O to thioether S coordination, the effect of the metal coordination environment on the redox potential values of Co(III)-Co(II) (here the effect of spin-state as well), Ni(III)-Ni(II) and Cu(II)-Cu(I) processes have been systematically analyzed.

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


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

  12. Wrinkling of Pressurized Elastic Shells (United States)

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


    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.

  13. Wrinkling of Pressurized Elastic Shells

    KAUST Repository

    Vella, Dominic


    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.

  14. A simple method to obtain very accurate whole atom Compton profiles from photon scattering doubly differential cross sections in relativistic regimes (United States)

    Lajohn, Larry


    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.

  15. Electron spin resonance dating of shells from the sambaqui (shell mound) Capelinha, Sao Paulo, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Kinoshita, A. [Sao Paulo Univ., Ribeirao Preto, SP (Brazil). Faculdade de Filosofia, Ciencias e Letras. Dept. de Fisica e Matematica; Universidade do Sagrado Coracao, Bauru, SP (Brazil); Figuty, L. [Sao Paulo Univ., SP (Brazil). Museu de Arqueologia e Etnologia. Setor de Arqueologia; Baffa, O. [Sao Paulo Univ., Ribeirao Preto, SP (Brazil). Faculdade de Filosofia, Ciencias e Letras. Dept. de Fisica e Matematica


    Capelinha is a fluvial sambaqui (Brazilian Shell Mound) located in the Ribeira Valley in the State of Sao Paulo that is being studied. It is one of the oldest sambaquis located along a river dated so far in this region. The use of ESR to date other shells stimulated our group to apply this method to the Capelinha site. Shells from land snails (Megalobulimus sp.) obtained in two levels of excavations were analyzed; one of them was in contact with a skeleton that was dated by C-14. The archaeological doses obtained were (8.05{+-}0.07) Gy and (9.50{+-}0.03) Gy. Since the last site was previously dated by C-14 (Beta -Analytics, Beta 153988) giving: 8860 +/- 60 years BP (conventional age) and 10180 to 9710 years BP (calibrated age), the archaeological dose found for this shell was used to determine the local rate of (0.93 to 0.98) mGy/year, that aggress with other surveys done in the region. Using this dose rate the age of the second shell was found to be 8.14 to 8.73 ky BP that agrees with the stratigraphy of the site. (author)

  16. 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....

  17. Stability Landscape of Shell Buckling (United States)

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


    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.

  18. Automated shell theory for rotating structures (ASTROS) (United States)

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


    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.

  19. Measurements of the K -Shell Opacity of a Solid-Density Magnesium Plasma Heated by an X-Ray Free-Electron Laser (United States)

    Preston, T. R.; Vinko, S. M.; Ciricosta, O.; Hollebon, P.; Chung, H.-K.; Dakovski, G. L.; Krzywinski, J.; Minitti, M.; Burian, T.; Chalupský, J.; Hájková, V.; Juha, L.; Vozda, V.; Zastrau, U.; Lee, R. W.; Wark, J. S.


    We present measurements of the spectrally resolved x rays emitted from solid-density magnesium targets of varying sub-μ m thicknesses isochorically heated by an x-ray laser. The data exhibit a largely thickness-independent source function, allowing the extraction of a measure of the opacity to K -shell x rays within well-defined regimes of electron density and temperature, extremely close to local thermodynamic equilibrium conditions. The deduced opacities at the peak of the K α transitions of the ions are consistent with those predicted by detailed atomic-kinetics calculations.

  20. Measurements of the K-Shell Opacity of a Solid-Density Magnesium Plasma Heated by an X-Ray Free-Electron Laser. (United States)

    Preston, T R; Vinko, S M; Ciricosta, O; Hollebon, P; Chung, H-K; Dakovski, G L; Krzywinski, J; Minitti, M; Burian, T; Chalupský, J; Hájková, V; Juha, L; Vozda, V; Zastrau, U; Lee, R W; Wark, J S


    We present measurements of the spectrally resolved x rays emitted from solid-density magnesium targets of varying sub-μm thicknesses isochorically heated by an x-ray laser. The data exhibit a largely thickness-independent source function, allowing the extraction of a measure of the opacity to K-shell x rays within well-defined regimes of electron density and temperature, extremely close to local thermodynamic equilibrium conditions. The deduced opacities at the peak of the Kα transitions of the ions are consistent with those predicted by detailed atomic-kinetics calculations.

  1. 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)


    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.

  2. Single-shell tank ventilation upgrades needs analysis report

    Energy Technology Data Exchange (ETDEWEB)

    Kriskovich, J.R., Fluor Daniel Hanford


    This report was written to comply with the objectives of the Hanford Federal Facility Agreement and Consent Order, Tri-Party Agreement Milestone M-43-03 Provide to the Washington State Department of Ecology and Department of Health the Results of the Single-Shell Tank Ventilation Upgrades Needs Analysis. The needs analysis consists of identifying the current type and status of each single-shell tank ventilation system, identifying current and projected authorization basis requirements, and identifying ventilation system compliance deficiencies.

  3. A suggested periodic table up to Z≤ 172, based on Dirac-Fock calculations on atoms and ions. (United States)

    Pyykkö, Pekka


    Extended Average Level (EAL) Dirac-Fock calculations on atoms and ions agree with earlier work in that a rough shell-filling order for the elements 119-172 is 8s Periodic Table develops further that of Fricke, Greiner and Waber [Theor. Chim. Acta 1971, 21, 235] by formally assigning the elements 121-164 to (nlj) slots on the basis of the electron configurations of their ions. Simple estimates are made for likely maximum oxidation states, i, of these elements M in their MX(i) compounds, such as i = 6 for UF(6). Particularly high i are predicted for the 6f elements.

  4. 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: [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China)


    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.

  5. Biomechanics of turtle shells: how whole shells fail in compression. (United States)

    Magwene, Paul M; Socha, John J


    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.

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


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


    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...

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

    Willden, Jeff


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

  8. Discovery of multiple dust shells beyond 1 arcmin in the circumstellar envelope of IRC +10216 using Herschel/PACS

    NARCIS (Netherlands)

    Decin, L.; Royer, P.; Cox, N.L.J.; Vandenbussche, B.; Ottensamer, R.; Blommaert, J.A.D.L.; Groenewegen, M.A.T.; Barlow, M.J.; Lim, T.; Kerschbaum, F.; Posch, T.; Waelkens, C.


    We present new Herschel/PACS images at 70, 100, and 160 μm of the well-known, nearby, carbon-rich asymptotic giant branch star IRC+10216 revealing multiple dust shells in its circumstellar envelope. For the first time, dust shells (or arcs) are detected until 320''. The almost spherical shells are

  9. Gravity balanced compliant shell mechanisms

    NARCIS (Netherlands)

    Radaelli, G.; Herder, J.L.


    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.

  10. Core-shell nanostructured catalysts. (United States)

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


    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

  11. Shell decoration of hydrothermally obtained colloidal carbon spheres with base metal nanoparticles

    NARCIS (Netherlands)

    Hoekstra, Jacco|info:eu-repo/dai/nl/313995605; Beale, Andrew M.|info:eu-repo/dai/nl/325802068; Soulimani, Fouad|info:eu-repo/dai/nl/313889449; Versluijs-Helder, Marjan|info:eu-repo/dai/nl/311472699; Geus, John W.|info:eu-repo/dai/nl/412538024; Jenneskens, Leonardus W.|info:eu-repo/dai/nl/071635246


    The preparation of base metal nanoparticles supported on the shell of colloidal carbon spheres (CCS) is reported. Hydrothermal treatment of a sucrose solution gave conglomerates of ca. 30 μm of CCS (diameter 2-8 μm), which consist of a hydrophobic core with a hydrophilic shell due to the presence of

  12. Dynamical symmetries of the shell model

    Energy Technology Data Exchange (ETDEWEB)

    Van Isacker, P


    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)

  13. Gravity and On-Shell Probe Actions

    CERN Document Server

    Ferrari, Frank


    In any gravitational theory and in a wide class of background space-times, we argue that there exists a simple, yet profound, relation between the on-shell Euclidean gravitational action and the on-shell Euclidean action of probes. The probes can be, for instance, charged particles or branes. The relation is tightly related to the thermodynamic nature of gravity. We provide precise checks of the relation in several examples, which include both asymptotically flat and asymptotically AdS space-times, with particle, D-brane and M-brane probes. Perfect consistency is found in all cases, including in a highly non-trivial example including \\alpha'-corrections.

  14. Gravity and on-shell probe actions

    Energy Technology Data Exchange (ETDEWEB)

    Ferrari, Frank [Université libre de Bruxelles (ULB) and International Solvay Institutes,Service de Physique Théorique et Mathématique,Campus de la Plaine, CP 231, B-1050 Bruxelles (Belgium); Theoretical Physics Department, CERN,CH-1211 Genève (Switzerland); Rovai, Antonin [Département de Physique Théorique, Université de Genève,24, quai Ansermet, CH-1211 Genève 4 (Switzerland); Université libre de Bruxelles (ULB) and International Solvay Institutes,Service de Physique Théorique et Mathématique,Campus de la Plaine, CP 231, B-1050 Bruxelles (Belgium); Center for Theoretical Physics, Massachusetts Institute of Technology,77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians-Universität München,Theresienstrasse 37, D-80333 München (Germany)


    In any gravitational theory and in a wide class of background space-times, we argue that there exists a simple, yet profound, relation between the on-shell Euclidean gravitational action and the on-shell Euclidean action of probes. The probes can be, for instance, charged particles or branes. The relation is tightly related to the thermodynamic nature of gravity. We provide precise checks of the relation in several examples, which include both asymptotically flat and asymptotically AdS space-times, with particle, D-brane and M-brane probes. Perfect consistency is found in all cases, including in a highly non-trivial example including α{sup ′}-corrections.

  15. Composite shell spacecraft seat (United States)

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


    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.

  16. Structure and properties of atomic nanoclusters

    CERN Document Server

    Alonso, Julio A


    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.

  17. Measurement of the shell decompression in direct-drive inertial-confinement-fusion implosions (United States)

    Michel, D. T.; Hu, S. X.; Davis, A. K.; Glebov, V. Yu.; Goncharov, V. N.; Igumenshchev, I. V.; Radha, P. B.; Stoeckl, C.; Froula, D. H.


    A series of direct-drive implosions performed on OMEGA were used to isolate the effect of an adiabat on the in-flight shell thickness. The maximum in-flight shell thickness was measured to decrease from 75 ±2 to 60 ±2 μ m when the adiabat of the shell was reduced from 6 to 4.5, but when decreasing the adiabat further (1.8), the shell thickness increased to 75 ±2 μ m due to the growth of the Rayleigh-Taylor instability. Hydrodynamic simulations suggest that a laser imprint is the dominant seed for these nonuniformities.

  18. Highly stable supercapacitors with conducting polymer core-shell electrodes for energy storage applications

    KAUST Repository

    Xia, Chuan


    Conducting polymers such as polyaniline (PAni) show a great potential as pseudocapacitor materials for electrochemical energy storage applications. Yet, the cycling instability of PAni resulting from structural alteration is a major hurdle to its commercial application. Here, the development of nanostructured PAni-RuO2 core-shell arrays as electrodes for highly stable pseudocapacitors with excellent energy storage performance is reported. A thin layer of RuO2 grown by atomic layer deposition (ALD) on PAni nanofibers plays a crucial role in stabilizing the PAni pseudocapacitors and improving their energy density. The pseudocapacitors, which are based on optimized PAni-RuO2 core-shell nanostructured electrodes, exhibit very high specific capacitance (710 F g-1 at 5 mV s-1) and power density (42.2 kW kg-1) at an energy density of 10 Wh kg-1. Furthermore, they exhibit remarkable capacitance retention of ≈88% after 10 000 cycles at very high current density of 20 A g-1, superior to that of pristine PAni-based pseudocapacitors. This prominently enhanced electrochemical stability successfully demonstrates the buffering effect of ALD coating on PAni, which provides a new approach for the preparation of metal-oxide/conducting polymer hybrid electrodes with excellent electrochemical performance.

  19. Controlling interactions between highly magnetic atoms with Feshbach resonances. (United States)

    Kotochigova, Svetlana


    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.

  20. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon


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

  1. Playing pinball with atoms. (United States)

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


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

  2. 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


    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.

  3. Performance Tests of Shell and Plate Type Evaporator for OTEC (United States)

    Nakaoka, Tsutomu; Uehara, Haruo

    Performance tests on a shell and plate type evaporator (total surface area = 21.95m2, length = 1450mm, width = 235mm, plate number = 100) for ocean thermal energy conversion (OTEC) plants. Freon 22 (R22) and ammonia (NH3) are used as working fluid. The empirical correlations are proporsed in order to predict the boiling heat transfer when using R22 and NH3 and water side heat transfer coefficients for a shell and plate type evaporator. The water side pressure drop is about 3 m at the warm water velocity of 0.7 m/s. The water side friction factor is obtained.

  4. Nano-fabrication of depth-varying amorphous silicon crescent shell array for light trapping. (United States)

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


    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.

  5. Nano-fabrication of depth-varying amorphous silicon crescent shell array for light trapping (United States)

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


    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.

  6. High thermal stability of core-shell structures dominated by negative interface energy. (United States)

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


    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.

  7. Comment on "Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX" by A. Goyal, I. Khatri, S. Aggarwal, A.K. Singh, M. Mohan [J Quant Spectrosc Radiat Transf 2015;161:157 (United States)

    Aggarwal, Kanti M.


    Recently, Goyal et al. [1] reported energies and lifetimes (τ) for the lowest 113 levels of the 2s22p5, 2s2p6, 2s22p43ℓ, 2s2p53ℓ and 2p63ℓ configurations of F-like Sr XXX. For the calculations they adopted the multi-configuration Dirac-Fock (MCDF) and the flexible atomic code (FAC). Additionally, they also listed radiative rates (A- values), oscillator strengths (f- values) and line strengths (S- values) for four types of transitions, namely electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1) and magnetic quadrupole (M2), but only from the ground to the higher excited levels. However, there are two clear anomalies in their reported data. Firstly, the f-values listed from FAC in their Tables 3-6 are larger than from MCDF by a factor of two, for all transitions. This is because they have blindly listed the output from FAC without realising that, unlike MCDF, FAC lists ωf where ω is the statistical weight, and happens to be exactly 2 in the present case. Secondly, their lifetime for level 2 (2s22p51/2 o 2P) is incorrect. This is because the dominant contributing transition for this level is 1-2 M1 for which A=3.25×106 s-1, listed (correctly) in their Table 5, and this leads to τ=3.08×10-7 s, and not 1.54×10-7 s, as listed in their Table 1.

  8. Copper atomic-scale transistors

    Directory of Open Access Journals (Sweden)

    Fangqing Xie


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

  9. Synthesis of metal-semiconductor core-shell nanoparticles using electrochemical surface-limited reactions. (United States)

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


    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.

  10. Iron oxide/hydroxide nanoparticles with negatively charged shells show increased uptake in Caco-2 cells. (United States)

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


    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.

  11. Ocean acidification and temperature increase impact mussel shell shape and thickness: problematic for protection? (United States)

    Fitzer, Susan C; Vittert, Liberty; Bowman, Adrian; Kamenos, Nicholas A; Phoenix, Vernon R; Cusack, Maggie


    Ocean acidification threatens organisms that produce calcium carbonate shells by potentially generating an under-saturated carbonate environment. Resultant reduced calcification and growth, and subsequent dissolution of exoskeletons, would raise concerns over the ability of the shell to provide protection for the marine organism under ocean acidification and increased temperatures. We examined the impact of combined ocean acidification and temperature increase on shell formation of the economically important edible mussel Mytilus edulis. Shell growth and thickness along with a shell thickness index and shape analysis were determined. The ability of M. edulis to produce a functional protective shell after 9 months of experimental culture under ocean acidification and increasing temperatures (380, 550, 750, 1000 μatm pCO 2, and 750, 1000 μatm pCO 2 + 2°C) was assessed. Mussel shells grown under ocean acidification conditions displayed significant reductions in shell aragonite thickness, shell thickness index, and changes to shell shape (750, 1000 μatm pCO 2) compared to those shells grown under ambient conditions (380 μatm pCO 2). Ocean acidification resulted in rounder, flatter mussel shells with thinner aragonite layers likely to be more vulnerable to fracture under changing environments and predation. The changes in shape presented here could present a compensatory mechanism to enhance protection against predators and changing environments under ocean acidification when mussels are unable to grow thicker shells. Here, we present the first assessment of mussel shell shape to determine implications for functional protection under ocean acidification.

  12. Electronic fine structure calculation of metal complexes with three-open-shell s, d, and p configurations. (United States)

    Ramanantoanina, Harry; Daul, Claude


    The ligand field density functional theory (LFDFT) algorithm is extended to treat the electronic structure and properties of systems with three-open-shell electron configurations, exemplified in this work by the calculation of the core and semi-core 1s, 2s, and 3s one-electron excitations in compounds containing transition metal ions. The work presents a model to non-empirically resolve the multiplet energy levels arising from the three-open-shell systems of non-equivalent ns, 3d, and 4p electrons and to calculate the oscillator strengths corresponding to the electric-dipole 3d m  → ns 13d m 4p 1 transitions, with n = 1, 2, 3 and m = 0, 1, 2, …, 10 involved in the s electron excitation process. Using the concept of ligand field, the Slater-Condon integrals, the spin-orbit coupling constants, and the parameters of the ligand field potential are determined from density functional theory (DFT). Therefore, a theoretical procedure using LFDFT is established illustrating the spectroscopic details at the atomic scale that can be valuable in the analysis and characterization of the electronic spectra obtained from X-ray absorption fine structure or electron energy loss spectroscopies.

  13. Nonlinear Geometric and Material Behavior of Composite Shells with Large Strains (United States)


    B.S., M.S. Captain, USAF Approved: /A4. N. P la tto, Ch r n 7 Profesor , Depart en of Aeronautics & Astronautics P J. Torvik DATE Professor...complexities. For composite shells, some studies use a first-order transverse shear theory with bi-linear elas- tic -plastic material behavior [6, 10, 13, 16...the classical thin shell. Investigations of the limitations of elastic-plas- tic cubic-nonlinear HTSD theory were based on the shallow isotropic shell

  14. Oxygen isotope ratios in the shell of Mytilus edulis: Archives of glacier meltwater in Greenland?

    DEFF Research Database (Denmark)

    Versteegh, E.A.A.; Blicher, M.E.; Mortensen, J.


    these variations, because it precipitates its shell calcite in oxygen isotopic equilibrium with ambient seawater. As M. edulis shells are known to occur in raised shorelines and archaeological shell middens from previous Holocene warm periods, this species may be ideal in reconstructing past meltwater dynamics. We......) values occurring during the years 2007 to 2010. Results show that delta O-18(w) values were not recorded at very low salinities (reconstructing past meltwater amounts in most...

  15. Automatización y optimización del diseño de intercambiadores de calor de tubo y coraza mediante el método de Taborek//Automatization and optimization of shell and tube heat exchangers design using the method of Taborek

    Directory of Open Access Journals (Sweden)

    Maida Bárbara Reyes‐Rodríguez


    Full Text Available Los intercambiadores de calor del tipo de coraza y tubo constituyen la parte más importante de los equipos de transferencia de calor sin combustión en las plantas de procesos químicos. Existen en la literatura numerosos métodos para el diseño de Intercambiadores de calor de tubo y coraza. Entre los más conocidos se encuentran el Método de Kern, el Método de Bell Delaware, el Método de Tinker, elMétodo de Wills and Johnston y el Método de Taborek. El presente trabajo tiene como objetivo describir y automatizar el método de Taborek. Se realiza además la optimización del Costo del Intercambiador de Calor mediante el método de Recocido Simulado y el método de los algoritmos genéticos. Se puede concluir que la optimización por ambos métodos arroja resultados similares, disminuyendoapreciablemente el costo del intercambiador optimizado.Palabras claves: optimización, intercambiadores de calor, método de Taborek, algoritmos genéticos.______________________________________________________________________________AbstractShell and tube heat exchangers are the most important equipment for heat transfer without combustion in plants of chemical processes.There are many methods for designing shell and tube heat exchangers in literature. Among the most known are the Kern´s Method, the Method of Bell Delaware, the Method ofTinker, the Method of Wills and Johnston and the Method of Taborek. The objective of this paper is to describe and automate the Taborek´s method. It is also realized and optimization of the heat exchanger cost using the genetic algorithm and Simulated Annealing. It can be concluded that the optimization usingboth methods conduces to similar results, diminishing considerably the optimized exchanger cost.Key words: optimization, Heat Exchangers, Taborek, Genetic Algorithms.

  16. Three-dimensional SnO2@TiO2 double-shell nanotubes on carbon cloth as a flexible anode for lithium-ion batteries (United States)

    Zhang, Haifeng; Ren, Weina; Cheng, Chuanwei


    In this study, three-dimensional SnO2@TiO2 double-shell nanotubes on carbon cloth are synthesized by a combination of the hydrothermal method for ZnO nanorods and a subsequent SnO2 and TiO2 thin film coating with atomic layer deposition (ALD). The as-prepared SnO2@TiO2 double-shell nanotubes are further tested as a flexible anode for Li ion batteries. The SnO2@TiO2 double-shell nanotubes/carbon cloth electrode exhibited a high initial discharge capacity (e.g. 778.8 mA h g-1 at a high current density of 780 mA g-1) and good cycling performance, which could be attributed to the 3D double-layer nanotube structure. The interior space of the stable TiO2 hollow tube can accommodate the large internal stress caused by volume expansion of SnO2 and protect SnO2 from pulverization and exfoliation.

  17. Control the fear atomic

    Energy Technology Data Exchange (ETDEWEB)

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


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

  18. Capsule shells adulterated with tadalafil. (United States)

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


    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.

  19. Instant Windows PowerShell

    CERN Document Server

    Menon, Vinith


    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.

  20. The giant molecular cloud Monoceros R2. 1: Shell structure (United States)

    Xie, Taoling; Goldsmith, Paul F.


    We have obtained a 45 sec resolution, Nyquist-sampled map in CO J = 1-0 covering approximately a 3 deg x 3 deg region of the giant molecular cloud Monoceros R2. The map consists of 167,000 spectra observed with the 15 element focal-plane array system on the FCRAO 14 m telescope. The data reveal that the large-scale structure of Mon R2 is dominated by a is approximately 30 pc diameter largely hemispherical shell containing approximately 4 x 10(exp 4) solar mass of molecular material and expanding at approximately 3-4 km s(exp -1) with symmetric axis roughly along the line of sight. The dynamical timescale of the shell is estimated to be approximately 4 x 10(exp 6) yr, which is consistent with the age of main-sequence stars powering the clusters of reflection nebulea in this region. There is no evidence for a redshifted shell on the far side of the interior 'bubble,' which is largely devoid of molecular material. Distortions of the shell are obvious, suggesting inhomogeneity of the cloud and possible presence of a magnetic field prior to its formation. Dense clumps in Mon R2, including the main core and the GGD 12-15 core, appear to be condensations located on the large shell. The reflection nebulea with their illuminating stars as well as embedded IRAS sources suggest that triggered star formation has taken place over a large part of the Mon R2 shell.

  1. Stellar populations of shell galaxies (United States)

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


    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.

  2. 40 Years of Shell Scenarios

    Energy Technology Data Exchange (ETDEWEB)



    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.

  3. The role of TM’s (M’s d valence electrons in TM@X12 and M@X12 clusters

    Directory of Open Access Journals (Sweden)

    Zhiyun Tan


    Full Text Available Using the density functional theory method, the icosahedral TM@X12 (M@X12 clusters (TM=Mn, Tc, Re; M=Zn, Cd, Hg; and X=Sn, Ge, which are composed of Sn12 (Ge12 shell covering a single TM (M atom, have been systematically examined to explore the role of TM’s (M’s d valence electrons playing in the clusters. The results show that the magnetism originate from the contribution of TM’s d valence electrons to TM@X12 clusters, where TM’s (M’s d valence electrons are not included in the superatomic electronic states to TM@X12 (M@X12 clusters. Taking into account the structural stability (imaginary frequency, binding energy, embedding energy, and core-shell interaction as well as the chemical stability (HOMO-LUMO gap after, we proposed that TM@X12 and M@X12 clusters can be assigned as the protyle superatoms. Furthermore, the results suggest that M@C60 clusters can not be superatoms, because their negative embedding energies and the distance from the center atom (M to C atom is larger than the sum of their Van Waals radii. Interestingly enough, we may obtain a simple judging method: for a magnetic superatom, the smaller the energy gap between the highest occupied magnetic state (HOMS and Fermi level or HOMO (MOgap, or MFgap, the easier on the change of its spin magnetic moment.

  4. Core-shell nanoparticle arrays double the strength of steel. (United States)

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


    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.

  5. Atomic coordination reflects peptide immunogenicity

    Directory of Open Access Journals (Sweden)

    Georgios S.E. Antipas


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

  6. Fabrication of Core-Shell Nanotube Array for Artificial Photosynthesis Featuring an Ultrathin Composite Separation Membrane. (United States)

    Edri, Eran; Aloni, Shaul; Frei, Heinz


    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.

  7. Isogeometric shell formulation based on a classical shell model

    KAUST Repository

    Niemi, Antti


    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.

  8. Preparation of n-tetradecane-containing microcapsules with different shell materials by phase separation method

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Rui [Department of Chemical Engineering, Tsinghua University, Beijing (China); Zhang, Yan; Zhang, Qingwu [Department of Chemical Engineering, China University of Mining and Technology, Beijing (China); Wang, Xin; Zhang, Yinping [Department of Building Science, Tsinghua University, Beijing (China)


    Microcapsules for thermal energy storage and heat-transfer enhancement have attracted great attention. Microencapsulation of n-tetradecane with different shell materials was carried out by phase separation method in this paper. Acrylonitrile-styrene copolymer (AS), acrylonitrile-styrene-butadiene copolymer (ABS) and polycarbonate (PC) were used as the shell materials. The structures, morphologies and the thermal capacities of the microcapsules were characterized using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). The ternary phase diagrams showed the potential encapsulation capabilities of the three shell materials. The effects of the shell/core ratio and the molecular weight of the shell material on the encapsulation efficiency and the thermal capacity of the microcapsules were also discussed. Microcapsules with melting enthalpy > 100 J/g, encapsulation efficiency 66-75%, particle size<1 {mu}m were obtained for all three shell materials. (author)

  9. Ocean warming, more than acidification, reduces shell strength in a commercial shellfish species during food limitation.

    Directory of Open Access Journals (Sweden)

    Clara L Mackenzie

    Full Text Available Ocean surface pH levels are predicted to fall by 0.3-0.4 pH units by the end of the century and are likely to coincide with an increase in sea surface temperature of 2-4 °C. The combined effect of ocean acidification and warming on the functional properties of bivalve shells is largely unknown and of growing concern as the shell provides protection from mechanical and environmental challenges. We examined the effects of near-future pH (ambient pH -0.4 pH units and warming (ambient temperature +4 °C on the shells of the commercially important bivalve, Mytilus edulis when fed for a limited period (4-6 h day(-1. After six months exposure, warming, but not acidification, significantly reduced shell strength determined as reductions in the maximum load endured by the shells. However, acidification resulted in a reduction in shell flex before failure. Reductions in shell strength with warming could not be explained by alterations in morphology, or shell composition but were accompanied by reductions in shell surface area, and by a fall in whole-body condition index. It appears that warming has an indirect effect on shell strength by re-allocating energy from shell formation to support temperature-related increases in maintenance costs, especially as food supply was limited and the mussels were probably relying on internal energy reserves. The maintenance of shell strength despite seawater acidification suggests that biomineralisation processes are unaffected by the associated changes in CaCO3 saturation levels. We conclude that under near-future climate change conditions, ocean warming will pose a greater risk to shell integrity in M. edulis than ocean acidification when food availability is limited.

  10. Meta-shell Approach for Constructing Lightweight and High Resolution X-Ray Optics (United States)

    McClelland, Ryan S.


    Lightweight and high resolution optics are needed for future space-based x-ray telescopes to achieve advances in high-energy astrophysics. Past missions such as Chandra and XMM-Newton have achieved excellent angular resolution using a full shell mirror approach. Other missions such as Suzaku and NuSTAR have achieved lightweight mirrors using a segmented approach. This paper describes a new approach, called meta-shells, which combines the fabrication advantages of segmented optics with the alignment advantages of full shell optics. Meta-shells are built by layering overlapping mirror segments onto a central structural shell. The resulting optic has the stiffness and rotational symmetry of a full shell, but with an order of magnitude greater collecting area. Several meta-shells so constructed can be integrated into a large x-ray mirror assembly by proven methods used for Chandra and XMM-Newton. The mirror segments are mounted to the meta-shell using a novel four point semi-kinematic mount. The four point mount deterministically locates the segment in its most performance sensitive degrees of freedom. Extensive analysis has been performed to demonstrate the feasibility of the four point mount and meta-shell approach. A mathematical model of a meta-shell constructed with mirror segments bonded at four points and subject to launch loads has been developed to determine the optimal design parameters, namely bond size, mirror segment span, and number of layers per meta-shell. The parameters of an example 1.3 m diameter mirror assembly are given including the predicted effective area. To verify the mathematical model and support opto-mechanical analysis, a detailed finite element model of a meta-shell was created. Finite element analysis predicts low gravity distortion and low thermal distortion. Recent results are discussed including Structural Thermal Optical Performance (STOP) analysis as well as vibration and shock testing of prototype meta-shells.

  11. Deep atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

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


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

  12. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

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


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

  13. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J


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

  14. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


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

  15. O Marco Civil da Internet e a Ciência da Informação: uma discussão sobre os softwares livres AtoM e Archivematica | The Internet Civil Rights Framework and Information Science: a discussion of AtoM and Archivematica software

    Directory of Open Access Journals (Sweden)

    Maria José Vicentini Jorente


    ABSTRACT The Brazilian Civil Rights Framework for the Internet is the first legislation in the world to regulate the Internet broadly and non-restrictively; and it respects the principles of complex, sustainable, open Internet. The research problem of this article is: how is Information Science (IS contemplated in the legal recommendations? This study presents a theoretical framework on what the Civil Rights Framework advocates, relating it to IS, and then presents two examples of open software that can contribute to its operationalization. The study concludes that IS cannot be excluded from the discussions on the Framework and suggests, for further studies, investigations that reflect on the design of digital environments in which information is deposited and its relation to the Brazilian Civil Rights Framework for the Internet. Keywords: Information and Technology; Web 2.0; AtoM;Archivematica; Information Design.


    Energy Technology Data Exchange (ETDEWEB)



    OAK-B135 New high gain designs for direct drive ignition on NIF require foam shells. Scaled down versions of these designs are needed for near term experiments on the OMEGA laser facility at the Laboratory Laser Energetics (LLE). These shells need to be about 1 mm in diameter and 50-100 {micro}m wall thickness and densities of 100-250 mg/cc. In addition, a full density permeation seal needs to be deposited for retention of the fill gas at room temperature or the ice at cryogenic temperatures. They have fabricated such shells using Resorcinol-formaldehyde (R/F) as the selected foam material due to its transparency in the optical region. Extensive characterization of the wall uniformity of these shells has been performed. The foam shells have {approx} 5%-6% non-concentricities on the average. A full density permeation seal has been deposited on the R/F shells using two different techniques. In the first technique R/F shells are coated directly with plasma polymer to thicknesses of 3-4 {micro}m. In the second technique, R/F shells are coated with polyvinylphenol, using a chemical interfacial polymerization technique. Data on surface finish and gas retention for R/F shells coated by both methods are provided.

  17. Electronic shell and supershell structure in graphene flakes

    CERN Document Server

    Manninen, M; Akola, J


    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.

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

    Directory of Open Access Journals (Sweden)

    Khalid Madiha


    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.

  19. Metal shell technology based upon hollow jet instability. [for inertial confinement fusion (United States)

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


    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.

  20. 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


    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.

  1. Atomic Structure of Au−Pd Bimetallic Alloyed Nanoparticles

    KAUST Repository

    Ding, Yong


    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.

  2. Preparation of activated carbons from macadamia nut shell and coconut shell by air activation

    Energy Technology Data Exchange (ETDEWEB)

    Tam, M.S.; Antal, M.J. Jr.


    A novel, three-step process for the production of high-quality activated carbons from macadamia nut shell and coconut shell charcoals is described. In this process the charcoal is (1) heated to a high temperature (carbonized), (2) oxidized in air following a stepwise heating program from low (ca. 450 K) to high (ca. 660 K) temperatures (oxygenated), and (3) heated again in an inert environment to a high temperature (activated). By use of this procedure, activated carbons with surface areas greater than 1,000 m{sub 2}/g are manufactured with an overall yield of 15% (based on the dry shell feed). Removal of carbon mass by the development of mesopores and macropores is largely responsible for increases in the surface area of the carbons above 600 m{sub 2}/g. Thus, the surface area per gram of activated carbon can be represented by an inverse function of the yield for burnoffs between 15 and 60%. These findings are supported by mass-transfer calculations and pore-size distribution measurements. A kinetic model for gasification of carbon by oxygen, which provides for an Eley-Rideal type reaction of a surface oxide with oxygen in air, fits the measured gasification rates reasonably well over the temperature range of 550--660 K.

  3. Experimental validation of L-shell x-ray fluorescence computed tomography imaging: phantom study. (United States)

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


    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.

  4. Dynamic hydration shell restores Kauzmann's 1959 explanation of how the hydrophobic factor drives protein folding (United States)

    Baldwin, Robert L.


    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

  5. Photoassociation of cold metastable helium atoms

    NARCIS (Netherlands)

    Woestenenk, G.R.


    During the last decades the study of cold atoms has grown in a great measure. Research in this field has been made possible due to the development of laser cooling and trapping techniques. We use laser cooling to cool helium atoms down to a temperature of 1 mK and we are able to

  6. Post-harvest control of aflatoxin production in in-shell moist peanuts with sodium ortho-phenylphenate: III. Storage tests Controle da produção de aflatoxinas no amendoim em casca úmido com ortofenilfenato de sódio: III. Testes no armazém

    Directory of Open Access Journals (Sweden)

    H. Fonseca


    Full Text Available The present experiment aimed to evaluate the effect of sodium ortho-phenylphenate (SOP application to in-shell moist peanuts for the control of aflatoxin production. Previous studies showed the need to improve the SOP solution distribution on peanut pods to evaluate the product. Thus, in this experiment the place of the spray system was the bag filler pipe of the pre-cleaning machine in the warehouse. In the 1989 rainy season two lots of 120 bags of in-shell moist peanuts were sprayed with 0.5 and 1% SOP solutions and aflatoxin production was not controlled. In the dry season of 1989 and in the rainy season of 1990, in-shell moist peanuts were sprayed with 5% SOP solution. The coverage of pods with the solution was efficient, allowing a uniform distribution of SOP solution on the pods. The results showed that only the 5.0% concentration of SOP solution utilized controlled the external fungal growth when a naked eye observation was made, however did not control aflatoxin production when applied to in-shell moist peanuts, probably due to the internal presence of Aspergillus flavus and because the fungicide could not penetrate inside to reach the kernels.O presente trabalho teve por objetivo avaliar a eficiência da solução de ortofenilfenato de sódio (OFS, no controle da produção de aflatoxinas quando aplicada no amendoim em casca, úmido. Trabalhos anteriormente realizados, em condições de campo, indicaram a necessidade de otimizar a aplicação da solução, para se poder avaliar a real eficiência dessa substância. Assim, neste experimento, o sistema de pulverização foi adaptado na bica de saída da máquina de pré-limpeza, no armazém. Na safra das águas de 1989, dois lotes de 120 sacos de amendoim em casca úmido foram pulverizados com solução de OFS em concentrações de 0,5 e 1,0 % e verificou-se que não houve controle da produção de aflatoxinas em ambas as concentrações utilizadas. Nas safras da seca de 1989 e das

  7. Interplay between elastic interactions in a core-shell model for spin-crossover nanoparticles (United States)

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


    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

  8. Shell-model calculations for p-shell hypernuclei


    Millener, D. J.


    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...

  9. Windows PowerShell 20 Bible

    CERN Document Server

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


    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

  10. Demonstration of Confined Electron Gas and Steep-Slope Behavior in Delta-Doped GaAs-AlGaAs Core-Shell Nanowire Transistors. (United States)

    Morkötter, S; Jeon, N; Rudolph, D; Loitsch, B; Spirkoska, D; Hoffmann, E; Döblinger, M; Matich, S; Finley, J J; Lauhon, L J; Abstreiter, G; Koblmüller, G


    Strong surface and impurity scattering in III-V semiconductor-based nanowires (NW) degrade the performance of electronic devices, requiring refined concepts for controlling charge carrier conductivity. Here, we demonstrate remote Si delta (δ)-doping of radial GaAs-AlGaAs core-shell NWs that unambiguously exhibit a strongly confined electron gas with enhanced low-temperature field-effect mobilities up to 5 × 10(3) cm(2) V(-1) s(-1). The spatial separation between the high-mobility free electron gas at the NW core-shell interface and the Si dopants in the shell is directly verified by atom probe tomographic (APT) analysis, band-profile calculations, and transport characterization in advanced field-effect transistor (FET) geometries, demonstrating powerful control over the free electron gas density and conductivity. Multigated NW-FETs allow us to spatially resolve channel width- and crystal phase-dependent variations in electron gas density and mobility along single NW-FETs. Notably, dc output and transfer characteristics of these n-type depletion mode NW-FETs reveal excellent drain current saturation and record low subthreshold slopes of 70 mV/dec at on/off ratios >10(4)-10(5) at room temperature.

  11. Effect on Al:MO{sub 2}/In{sub 0.53}Ga{sub 0.47}As interface (M = Hf, Zr) of trimethyl-aluminum pre-treatment during atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Lamperti, A., E-mail: [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, 20864 Agrate Brianza, MB (Italy); Molle, A.; Cianci, E.; Wiemer, C.; Spiga, S. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, 20864 Agrate Brianza, MB (Italy); Fanciulli, M. [Laboratorio MDM, IMM-CNR, via C. Olivetti 2, 20864 Agrate Brianza, MB (Italy); Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Milano (Italy)


    For the fabrication of n-type metal–oxide–semiconductor field-effect transistor based on high mobility III–V compound semiconductors as channel materials, a major requirement is the integration of high quality gate oxides on top of the III–V substrates. A detailed knowledge of the interface between the oxide layer and the substrate is mandatory to assess the relevance of interdiffusion and related defects, which are detrimental. Here we grow high dielectric constant (k) Al:MO{sub 2} (M = Hf, Zr) gate materials on In{sub 0.53}Ga{sub 0.47}As substrates by atomic layer deposition, after an Al{sub 2}O{sub 3} pre-treatment based on trimethylaluminum is performed to properly passivate the substrate surface. Time of flight secondary ion mass spectrometry depth profiles reveal not only the film integrity and the chemical composition of the high-k oxide but also well elucidate the effect of the Al{sub 2}O{sub 3} pre-treatment on Al:MO{sub 2}/In{sub 0.53}Ga{sub 0.47}As interface. Even though the chemical profile is well defined in both cases, a broader interface is detected for Al:ZrO{sub 2}. X-ray photoemission spectroscopy evidenced the presence of As{sup 3+} states in Al:ZrO{sub 2} only. Accordingly, preliminary capacitance–voltage measurements point out to a better field effect modulation in the capacitor incorporating Al:HfO{sub 2}. Based on the above considerations Al:HfO{sub 2} looks as a preferred candidate with respect to Al:ZrO{sub 2} for the integration on top of In{sub 0.53}Ga{sub 0.47}As substrates. - Highlights: • Al:MO{sub 2} (M = Hf, Zr) thin films are grown on In{sub 0.53}Ga{sub 0.47}As substrates. • Trimethylaluminum (TMA) pre-treatment properly passivates the substrate surface. • ToF-SIMS depth profiles reveal the chemical composition of the high-k films. • Depth profiles well elucidate the effect of TMA on Al:MO{sub 2}/In{sub 0.53}Ga{sub 0.47}As substrates. • XPS evidences the presence of As{sup 3+} state in Al:ZrO{sub 2}/In{sub 0

  12. Atomic vapor density monitor

    Energy Technology Data Exchange (ETDEWEB)

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


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

  13. Detection of gas atoms with carbon nanotubes (United States)

    Arash, B.; Wang, Q.


    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.

  14. Atom-specific surface magnetometry (United States)

    Sirotti, Fausto; Panaccione, Giancarlo; Rossi, Giorgio


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

  15. 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)


    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.

  16. Morphology and properties of periwinkle shell asbestos-free brake pad

    Directory of Open Access Journals (Sweden)

    D.S. Yawas


    Full Text Available The development of asbestos-free automotive brake pad using periwinkle shell particles as frictional filler material is presented. This was with a view to exploiting the characteristics of the periwinkle shell, which is largely deposited as a waste, in replacing asbestos which has been found to be carcinogenic. Five sets of brake pads with different sieve size (710–125 μm of periwinkle shell particles with 35% resin were produced using compressive moulding. The physical, mechanical and tribological properties of the periwinkle shell particle-based brake pads were evaluated and compared with the values for the asbestos-based brake pads. The results obtained showed that compressive strength, hardness and density of the developed brake pad samples increased with decreasing the particle size of periwinkle shell from 710 to 125 μm, while the oil soak, water soak and wear rate decreased with decreasing the particle size of periwinkle shell. The results obtained at 125 μm of periwinkle shell particles compared favourably with that of commercial brake pad. The results of this research indicate that periwinkle shell particles can be effectively used as a replacement for asbestos in brake pad manufacture.

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

    Edmunds, P D; Barker, P F


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

  18. 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: [Delft University of Technology, Faculty of Applied Sciences, Materials for Energy Conversion and Storage (Netherlands)


    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.

  19. Oximato bridged Rh M and Rh M species (M = Mn, Co, Ni; M = Cu, Ag)

    Indian Academy of Sciences (India)


    complex [RhCl2(PhL)2]Cu(PPh3)2 the copper atom is coordinated to two oximato oxygen atoms and the ... (M = Cu, Ag) and Rh. III. 2M. II. (M = Mn, Co, Ni) which have been isolated and characterized. Only the species with Ar = Ph are reported here. 2. Experimental .... and Co complexes are EPR silent presumably due to.

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

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

  1. Playing Pinball with Atoms

    NARCIS (Netherlands)

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


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

  2. Micron-sized polymer particles from Tanzanian cashew nut shell

    African Journals Online (AJOL)


    ABSTRACT. Micron-sized polymer particles (MSPP) were prepared by formaldehyde condensation polymerization of cashew nut shell liquid (CNSL) previously emulsified with sodium lauryl sulphate. The sizes of the MSPP were found to range from 0.1 to 4.4 μm. Increasing the emulsifier concentration had the effect of ...

  3. Adsorption efficiency of coconut shell-based activated carbons on ...

    African Journals Online (AJOL)

    The adsorption efficiency of FeCl3, CaCl2 and K2CO3-activated carbon for the 500μm particle size produced from previously carbonized coconut shell on some adsorbates obtained from an industrial effluent and wastewaters as well as the colour of molasses has been studied. The adsorbates include oil and grease, ...

  4. Optimum conditions for carbonisation of coconut shell | Gimba ...

    African Journals Online (AJOL)

    The optimum conditions that are useful in the carbonization of coconut shell have been examined. The carbonization was effected using particle sizes (150 – 2000μm) at carbonization temperatures between 200 and 900C in a laboratory muffle furnace. The study involved determination of yield, rate of weight loss, optimum ...

  5. Learning Shell scripting with Zsh

    CERN Document Server

    Festari, Gaston


    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.

  6. Stability of facetted translation shells

    DEFF Research Database (Denmark)

    Almegaard, Henrik; Vanggaard, Ole


    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)....

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


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


    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...

  8. The Shell-Model Code NuShellX@MSU (United States)

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


    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.

  9. The Shell-Model Code NuShellX@MSU

    Energy Technology Data Exchange (ETDEWEB)

    Brown, B.A., E-mail: [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)


    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.

  10. Design and Analysis of an X-Ray Mirror Assembly Using the Meta-Shell Approach (United States)

    McClelland, Ryan S.; Bonafede, Joseph; Saha, Timo T.; Solly, Peter M.; Zhang, William W.


    Lightweight and high resolution optics are needed for future space-based x-ray telescopes to achieve advances in high-energy astrophysics. Past missions such as Chandra and XMM-Newton have achieved excellent angular resolution using a full shell mirror approach. Other missions such as Suzaku and NuSTAR have achieved lightweight mirrors using a segmented approach. This paper describes a new approach, called meta-shells, which combines the fabrication advantages of segmented optics with the alignment advantages of full shell optics. Meta-shells are built by layering overlapping mirror segments onto a central structural shell. The resulting optic has the stiffness and rotational symmetry of a full shell, but with an order of magnitude greater collecting area. Several meta-shells so constructed can be integrated into a large x-ray mirror assembly by proven methods used for Chandra and XMM-Newton. The mirror segments are mounted to the meta-shell using a novel four point semi-kinematic mount. The four point mount deterministically locates the segment in its most performance sensitive degrees of freedom. Extensive analysis has been performed to demonstrate the feasibility of the four point mount and meta-shell approach. A mathematical model of a meta-shell constructed with mirror segments bonded at four points and subject to launch loads has been developed to determine the optimal design parameters, namely bond size, mirror segment span, and number of layers per meta-shell. The parameters of an example 1.3 m diameter mirror assembly are given including the predicted effective area. To verify the mathematical model and support opto-mechanical analysis, a detailed finite element model of a meta-shell was created. Finite element analysis predicts low gravity distortion and low sensitivity to thermal gradients.

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

    Hayashi, Shigeru; Koito, Atsushi; Hishiki, Manabu


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

  12. Toward the Application of Three-Dimensional Approach to Few-body Atomic Bound States

    Directory of Open Access Journals (Sweden)

    Hadizadeh M.R.


    Full Text Available The first step toward the application of an effective non partial wave (PW numerical approach to few-body atomic bound states has been taken. The two-body transition amplitude which appears in the kernel of three-dimensional Faddeev-Yakubovsky integral equations is calculated as function of two-body Jacobi momentum vectors, i.e. as a function of the magnitude of initial and final momentum vectors and the angle between them. For numerical calculation the realistic interatomic interactions HFDHE2, HFD-B, LM2M2 and TTY are used. The angular and momentum dependence of the fully off-shell transition amplitude is studied at negative energies. It has been numerically shown that, similar to the nuclear case, the transition amplitude exhibits a characteristic angular behavior in the vicinity of 4He dimer pole.

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

    Vasudevan, Rama

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

  14. Experimental Damage Identification of a Model Reticulated Shell

    Directory of Open Access Journals (Sweden)

    Jing Xu


    Full Text Available The damage identification of a reticulated shell is a challenging task, facing various difficulties, such as the large number of degrees of freedom (DOFs, the phenomenon of modal localization and transition, and low modeling accuracy. Based on structural vibration responses, the damage identification of a reticulated shell was studied. At first, the auto-regressive (AR time series model was established based on the acceleration responses of the reticulated shell. According to the changes in the coefficients of the AR model between the damaged conditions and the undamaged condition, the damage of the reticulated shell can be detected. In addition, the damage sensitive factors were determined based on the coefficients of the AR model. With the damage sensitive factors as the inputs and the damage positions as the outputs, back-propagation neural networks (BPNNs were then established and were trained using the Levenberg–Marquardt algorithm (L–M algorithm. The locations of the damages can be predicted by the back-propagation neural networks. At last, according to the experimental scheme of single-point excitation and multi-point responses, the impact experiments on a K6 shell model with a scale of 1/10 were conducted. The experimental results verified the efficiency of the proposed damage identification method based on the AR time series model and back-propagation neural networks. The proposed damage identification method can ensure the safety of the practical engineering to some extent.

  15. Statistical mechanics of thin spherical shells

    CERN Document Server

    Kosmrlj, Andrej


    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...

  16. Mesoscale structure of chiral nematic shells. (United States)

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


    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.

  17. Electrochemical behavior of different shelled microcapsule composite copper coatings (United States)

    Xu, Xiu-Qing; Guo, Yan-Hong; Li, Wei-Ping; Zhu, Li-Qun


    Copper/liquid microcapsule composite coatings with polyvinyl alcohol (PVA), gelatin or methyl cellulose (MC) as shell materials were prepared by electrodeposition. The influence of shell materials on the corrosion resistance of the composite coatings in 0.1 M H2SO4 was investigated by means of electrochemical techniques, scanning electron microscopy (SEM), and energy dispersion spectrometry (EDS). The results show that the participation of microcapsules can enhance the corrosion resistance of the composite coatings compared with the traditional copper layer. Based on the analysis of electrochemical test results, the release ways of microcapsules were deduced. Gelatin and MC as the shell materials of microcapsules are easy to release quickly in the composite coating. On the contrary, the releasing speed of PVA microcapsules is relatively slow due to their characteristics.

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

    Cao, Chang-Qi; Haake, Fritz


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

  19. pH-Triggered reversible morphological inversion of orthogonally-addressable poly(3-acrylamidophenylboronic acid)-block-poly(acrylamidoethylamine) micelles and their shell crosslinked nanoparticles (United States)

    Zou, Jiong; Zhang, Shiyi; Shrestha, Ritu; Seetho, Kellie; Donley, Carrie L.


    Functionally-responsive amphiphilic core-shell nanoscopic objects, capable of either complete or partial inversion processes, were produced by the supramolecular assembly of pH-responsive block copolymers, without or with covalent crosslinking of the shell layer, respectively. A new type of well-defined, dual-functionalized boronic acid- and amino-based diblock copolymer poly(3-acrylamidophenylboronic acid)30-block-poly(acrylamidoethylamine)25 (PAPBA30-b-PAEA25) was synthesized by sequential reversible addition-fragmentation chain transfer (RAFT) polymerization and then assembled into cationic micelles in aqueous solution at pH 5.5. The micelles were further cross-linked throughout the shell domain comprised of poly(acrylamidoethylamine) by reaction with a bis-activated ester of 4,15-dioxo-8,11-dioxa-5,14-diazaoctadecane-1,18-dioic acid, upon increase of the pH to 7, to different cross-linking densities (2%, 5% and 10%), forming well-defined shell cross-linked nanoparticles (SCKs) with hydrodynamic diameters of ca. 50 nm. These smart micelles and SCKs presented switchable cationic, zwitterionic and anionic properties, and existed as stable nanoparticles with high positive surface charge at low pH (pH = 2, zeta potential ~ +40 mV) and strong negative surface charge at high pH (pH = 12, zeta potential ~ −35 mV). 1H NMR spectroscopy, X-ray photoelectron spectroscopy (XPS), dynamic light scattering (DLS), transmission electron microscopy (TEM), atomic force microscopy (AFM), and zeta potential, were used to characterize the chemical compositions, particle sizes, morphologies and surface charges. Precipitation occurred near the isoelectric points (IEP) of the polymer/particle solutions, and the IEP values could be tuned by changing the shell cross-linking density. The block copolymer micelles were capable of full reversible morphological inversion as a function of pH, by orthogonal protonation of the PAEA and hydroxide association with the PAPBA units, whereas the

  20. Microcapsules with protein fibril reinforced shells: effect of fibril properties on mechanical strength of the shell. (United States)

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


    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.

  1. 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

  2. Discovery of Molecular Gas Shells around the Unusual Galaxy Centaurus A (United States)


    - and farther out than most of the stars - would be liberated earlier than the stars. As a consequence, one would also expect to observe a certain displacement between the gaseous and stellar shells. The SEST observations ESO PR Photo 08a/00 ESO PR Photo 08a/00 [Preview - JPEG: 343 x 400 pix - 188k] [Normal - JPEG: 686 x 800 pix - 560k] [High-Res - JPEG: 2571 x 3000 pix - 4.4M] Caption : ESO PR Photo 08a/00 shows an optical image of the galaxy Centaurus A (from the 1-m ESO Schmidt telescope at La Silla), with the surrounding shells outlined as contours. The image has been enhanced to show the full extent of the galaxy; due to this process, the central dust band is less visible. The stellar shells (see the text) are indicated in yellow; they are otherwise only visible on very deep images. The contours of the observed distribution of atomic hydrogen gas are white. The radio jet from the active centre of Centaurus A is shown in blue. The new SEST observations prove the existence of carbon monoxide (CO) in the S1 and S2 shells (indicated in red). The field measures approx. 32 x 32 arcmin 2. North is up and East is left. A detailed photo of Centaurus A was recently obtained with the FORS2 instrument at VLT KUEYEN, cf. ESO PR Photo 05b/00 ESO PR Photo 08b/00 ESO PR Photo 08b/00 [Preview - JPEG: 247 x 400 pix - 60k] [Normal - JPEG: 493 x 800 pix - 128k] [High-Res - JPEG: 3000 x 1847 pix - 756k] Caption : ESO PR Photo 08b/00 shows the observed CO emission spectra in the S1 and S2 shells. In both cases, two lines from different molecular states were observed that stand out clearly from the sky noise. The abscissa indicates the velocity (i.e., the radio frequency) and the ordinate the temperature (i.e., the intensity). These diagrammes represent approx. 20 and 30 hours of observation, respectively. In order to test this hypothesis, the astronomers decided to look for the possible presence in the shells around some nearby elliptical galaxies of specific gases that are typical of

  3. 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:


    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)

  4. Shell theorem for spontaneous emission

    DEFF Research Database (Denmark)

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


    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....

  5. (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 ...

  6. Determination of K shell absorption jump factors and jump ratios of 3d transition metals by measuring K shell fluorescence parameters. (United States)

    Kaçal, Mustafa Recep; Han, Ibrahim; Akman, Ferdi


    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.

  7. 21 CFR 886.3800 - Scleral shell. (United States)


    ... 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...

  8. Structural instability of shell-like assemblies of a keplerate-type polyoxometalate induced by ionic strength. (United States)

    Veen, Sandra J; Kegel, Willem K


    We demonstrate a new structural instability of shell-like assemblies of polyoxometalates. Besides the colloidal instability, that is, the formation of aggregates that consist of many single layered POM-shells, these systems also display an instability on a structural scale within the shell-like assemblies. This instability occurs at significantly lower ionic strength than the colloidal stability limit and only becomes evident after a relatively long time. For the polyoxometalate, abbreviated as {Mo(72)Fe(30)}, it is shown that the structural stability limit of POM-shells lies between a NaCl concentration of 1.00 and 5.00 mM in aqueous solution.

  9. Non-perturbative study of rotationally induced inner-shell excitation (United States)

    Wille, U.


    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.

  10. Durable polydopamine-coated porous sulfur core-shell cathode for high performance lithium-sulfur batteries (United States)

    Deng, Yuanfu; Xu, Hui; Bai, Zhaowen; Huang, Baoling; Su, Jingyang; Chen, Guohua


    Lithium-sulfur batteries show fascinating potential for advanced energy system due to their high specific capacity, low-cost, and environmental benignity. However, their wide applications have been plagued by low coulombic efficiency, fast capacity fading and poor rate performance. Herein, a facile method for preparation of S@PDA (PDA = polydopamine) composites with core-shell structure and good electrochemical performance as well as the First-Principles calculations on the interactions of PDA and polysulfides are reported. Taking the advantages of the core-shell structure with porous sulfur core, the high mechanical flexibility of PDA for accommodating the volumetric variation during the discharge/charge processes, the good lithium ion conductivity and the strong chemical interactions between the nitrogen/oxygen atoms with lone electron pair and lithium polysulfides for alleviating their dissolution, the S@PDA composites exhibit high discharge capacities at different current densities (1048 and 869 mAh g-1 at 0.2 and 0.8 A g-1, respectively) and excellent capacity retention capability. A capacity decay as low as 0.021% per cycle and an average coulombic efficiency of 98.5% is observed over a long-term cycling of 890 cycles at 0.8 A g-1. The S@PDA electrode has great potential as a low-cost cathode in high energy Li-S batteries.

  11. Manifestation of Geometric and Electronic Shell Structures of Metal Clusters in Intercluster Reactions. (United States)

    Krishnadas, K R; Baksi, Ananya; Ghosh, Atanu; Natarajan, Ganapati; Pradeep, Thalappil


    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.

  12. Optimization of electrothermal atomization parameters for simultaneous multielement atomic absorption spectrometry (United States)

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


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

  13. Multifunctional yolk-in-shell nanoparticles for pH-triggered drug release and imaging. (United States)

    Chen, Hongyu; Qi, Bin; Moore, Thomas; Wang, Fenglin; Colvin, Daniel C; Sanjeewa, Liurukara D; Gore, John C; Hwu, Shiou-Jyh; Mefford, O Thompson; Alexis, Frank; Anker, Jeffrey N


    Multifunctional nanoparticles are synthesized for both pH-triggered drug release and imaging with radioluminescence, upconversion luminescent, and magnetic resonance imaging (MRI). The particles have a yolk-in-shell morphology, with a radioluminescent core, an upconverting shell, and a hollow region between the core and shell for loading drugs. They are synthesized by controlled encapsulation of a radioluminescent nanophosphor yolk in a silica shell, partial etching of the yolk in acid, and encapsulation of the silica with an upconverting luminescent shell. Metroxantrone, a chemotherapy drug, was loaded into the hollow space between X-ray phosphor yolk and up-conversion phosphor shell through pores in the shell. To encapsulate the drug and control the release rate, the nanoparticles are coated with pH-responsive biocompatible polyelectrolyte layers of charged hyaluronic acid sodium salt and chitosan. The nanophosphors display bright luminescence under X-ray, blue light (480 nm), and near infrared light (980 nm). They also served as T1 and T2 MRI contrast agents with relaxivities of 3.5 mM(-1) s(-1) (r1 ) and 64 mM(-1) s(-1) (r2 ). These multifunctional nanocapsules have applications in controlled drug delivery and multimodal imaging. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Atomic-Beam Magnetic Resonance Experiments at ISOLDE

    CERN Multimedia


    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. Precision Membrane Optical Shell (PMOS) Technology for RF/Microwave to Lightweight LIDAR Apertures Project (United States)

    National Aeronautics and Space Administration — Membrane Optical Shell Technology (MOST) is an innovative combination of 1) very low areal density (40 to 200g/m2) optically smooth (<20 nm rms), metallic coated...

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


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


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

  17. Packaging of DNA by shell crosslinked nanoparticles. (United States)

    Thurmond, K B; Remsen, E E; Kowalewski, T; Wooley, K L


    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.

  18. Cargo-shell and cargo-cargo couplings govern the mechanics of artificially loaded virus-derived cages (United States)

    Llauró, Aida; Luque, Daniel; Edwards, Ethan; Trus, Benes L.; Avera, John; Reguera, David; Douglas, Trevor; Pablo, Pedro J. De; Castón, José R.


    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

  19. Saturation Effect of Projectile Excitation in Ion-Atom Collisions (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


    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


    $\\textbf{Background:}$ 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 (United States)

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


    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. (United States)

    Lin, Fei; Wang, Kai; Tang, Yonghua; Lai, Jianping; Lou, Mingchuan; Huang, Minghua; Guo, Shaojun


    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. 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


    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.

  5. Possible violation of the Pauli principle in atoms

    CERN Document Server

    Okun, Lev Borisovich


    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).

  6. Design aids for stiffened composite shells with cutouts

    CERN Document Server

    Sahoo, Sarmila


    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...

  7. Core-shell column Tanaka characterization and additional tests using active pharmaceutical ingredients. (United States)

    Ludvigsson, Jufang Wu; Karlsson, Anders; Kjellberg, Viktor


    In the last decade, core-shell particles have gained more and more attention in fast liquid chromatography separations due to their comparable performance with fully porous sub-2 μm particles and their significantly lower back pressure. Core-shell particles are made of a solid core surrounded by a shell of classic fully porous material. To embrace the developed core-shell column market and use these columns in pharmaceutical analytical applications, 17 core-shell C18 columns purchased from various vendors with various dimensions (50 mm × 2.1 mm to 100 mm × 3 mm) and particle sizes (1.6-2.7 μm) were characterized using Tanaka test protocols. Furthermore, four selected active pharmaceutical ingredients were chosen as test probes to investigate the batch to batch reproducibility for core-shell columns of particle size 2.6-2.7 μm, with dimension of 100 × 3 mm and columns of particle size 1.6 μm, with dimension 100 × 2.1 mm under isocratic elution. Columns of particle size 2.6-2.7 μm were also tested under gradient elution conditions. To confirm the claimed comparable efficiency of 2.6 μm core-shell particles as sub-2 μm fully porous particles, column performances of the selected core-shell columns were compared with BEH C18 , 1.7 μm, a fully porous column material as well. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Mussel shell evaluation as bioindicator for heavy metals

    Energy Technology Data Exchange (ETDEWEB)

    Andrello, Avacir Casanova; Lopes, Fabio; Galvao, Tiago D. [Universidade Estadual de Londrina (UEL), PR (Brazil). Dept. de Fisica. Lab. de Fisica Nuclear Aplicada


    Full text: Recently, in Brazil, it has been appearing a new and unusual 'plague' in leisure and commercial fishing, caused by the parasitic larval phase of certain native bivalve mollusks of fresh water known as 'Naiades'. Such situation involves the presence of big bivalve of fresh water, mainly Anodontites trapesialis, in the tanks and dams of the fish creation, such bivalve mollusks belonging to the Ordem Unionoida and the Familia Mycetopodidae. The present work objectified to analyze the shells of such mollusks to verify the possibility of such mollusks as bioindicators of heavy metals in fresh water. The mollusks shells were collected in a commercial fishing at Londrina-PR, and analyzed qualitatively to determine the chemical composition and possible correlation with existent heavy metals in the aquatic environment. Studies of the literature have been showing that those mollusks are susceptible the existent chemical alterations in the aquatic environment due to anthropogenic action. Three different shells were analyzed, with the measures done on the external and internal side, using a portable Energy Dispersive X-Ray Fluorescence system (PXRF-LFNA-02). The measures were realized in the applied nuclear physics laboratory of State University of Londrina, and the PXRF-LFNA-02 is composed by a X-Ray tube (with Ag target and filter) with potency of 4W, and a detector Si-PIN model XR-100CR of Ampetc Inc. with resolution of 221eV for the line of 5.9 keV of the {sup 55}Fe (with a 25{mu}m Be window thickness and Ag collimator), Current 10 mA and High Voltage 28 kV. In the internal part of shells were identified the elements Ca, P, Fe, Mn and Sr and in the external part were identified Ca, P, Fe, Mn, Sr and Cu. The Ca ratio among the external and internal sides of the analyzed shells is around of 1, and it was expected because Ca is the main composed of mollusks shells. The ratio of P, Fe, Mn, and Sr for Ca stayed constant in all analyzed shells

  9. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant


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

  10. Single atom microscopy. (United States)

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


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

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

    Directory of Open Access Journals (Sweden)

    Tahani R. Al-Biladi


    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.

  12. Analysis of L -shell line spectra with 50-ps time resolution from Mo X -pinch plasmas. (United States)

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


    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.


    Directory of Open Access Journals (Sweden)



    Full Text Available The effects of drying and shelling on Aspergillus fla-us infection and aflatoxin production of maize stored under laboratory conditions were investigated together with the intactness of grain and change of moisture content during the storage period. Fully matured maize var. Arjuna and CPI-2 were harvested at 90 and 97 days after planting, respectively, after which they were unhusked and divided into 4 pans. The 1st and the 2nd parts were sun dried up to 20^ moisture content (m.c. and then shelled and re-dried up to 17 and 14% m.c.. respectively. The 3rd part was sun dried up to 17% m.c. and then shelled but not re-dned. The 4th pan was sun dried up to 17% m.c. and then shelled and re-dried up to 14% m.c. The maize was sun dried by spreading either the cobs or the kernels on the paved floor. The nail-down wood and mechanical sheller were used for shelling the maize. After drying and shelling, maize samples were stored in the jars which were covered with muslin cloth for 3 months under laboratory conditions. A. flavus was isolated using dilution method on Aspergillus Flavus and Parasiticus Agar (AFPA. The damaged kernel analysis was carried out at the beginning of storage to obtain the percentage of damaged kernel caused by shelling. The m.c. and aflatoxin were determined using oven and High Performance Liquid Chromatography (HPLC methods, respectively. The m.c. decreased at 1 month of storage and then it was almost constant at 2 and 3 months of storage. The percentage of damaged kernels of maize var. CPI-2 was higher than those of var. Arjuna. The percentage of damaged kernels of maize shelled at 20% m.c. was higher than that shelled at 17% m.c. The percentage of damaged kernels of maize shelled by mechanical sheller was higher than that shelled by nail-down wood.Paper presented at the Symposium on Pest Management for Stored Food and Feed, 5-7 September 1995 Bogor, Indonesia. 29 The Effects of Drying and Shelling on Aspergillus flavus Infection

  14. From middens to modern estuaries, oyster shells sequester source-specific nitrogen (United States)

    Darrow, Elizabeth S.; Carmichael, Ruth H.; Andrus, C. Fred T.; Jackson, H. Edwin


    Oysters (Crassostrea virginica) were an important food resource for native peoples of the northern Gulf of Mexico, who deposited waste shells in middens. Nitrogen (N) stable isotopes (δ15N) in bivalve shells have been used as modern proxies for estuarine N sources because they approximate δ15N in suspended particulate matter. We tested the use of midden shell δ15N as a proxy for ancient estuarine N sources. We hypothesized that isotopic signatures in ancient shells from coastal Mississippi would differ from modern shells due to increased anthropogenic N sources, such as wastewater, through time. We decalcified shells using an acidification technique previously developed for modern bivalves, but modified to determine δ15N, δ13C, %N, and % organic C of these low-N, high-C specimens. The modified method resulted in the greatest percentage of usable data from midden shells. Our results showed that oyster shell δ15N did not significantly differ between ancient (500-2100 years old) and modern oysters from the same locations where the sites had undergone relatively little land-use change. δ15N values in modern shells, however, were positively correlated with water column nitrate concentrations associated with urbanization. When N content and total shell mass were combined, we estimated that middens sequestered 410-39,000 kg of relic N, buried at a rate of up to 5 kg N m-2 yr-1. This study provides a relatively simple technique to assess baseline conditions in ecosystems over long time scales by demonstrating that midden shells can be an indicator of pre-historic N source to estuaries and are a potentially significant but previously uncharacterized estuarine N sink.

  15. Oxygen isotope ratios in the shell of Mytilus edulis: archives of glacier meltwater in Greenland?

    DEFF Research Database (Denmark)

    Versteegh, E. A. A.; Blicher, Martin E.; Mortensen, J.


    these variations, because it precipitates its shell calcite in oxygen isotopic equilibrium with ambient seawater. As M. edulis shells are known to occur in raised shorelines and kitchen middens from previous Holocene warm periods, this species may be ideal in reconstructing past meltwater dynamics. We investigate...... during the years 2007 to 2010. Results show that δ18Ow values were not recorded at very low salinities (reconstructing past meltwater amounts in most cases, but care has to be taken that shells...

  16. Solar Spectroscopy: Atomic Processes (United States)

    Mason, H.; Murdin, P.


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

  17. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


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

  18. Soft microcapsules with highly plastic shells formed by interfacial polyelectrolyte-nanoparticle complexation. (United States)

    Kaufman, Gilad; Nejati, Siamak; Sarfati, Raphael; Boltyanskiy, Rostislav; Loewenberg, Michael; Dufresne, Eric R; Osuji, Chinedum O


    Composite microcapsules have been aggressively pursued as designed chemical entities for biomedical and other applications. Common preparations rely on multi-step, time consuming processes. Here, we present a single-step approach to fabricate such microcapsules with shells composed of nanoparticle-polyelectrolyte and protein-polyelectrolyte complexes, and demonstrate control of the mechanical and release properties of these constructs. Interfacial polyelectrolyte-nanoparticle and polyelectrolyte-protein complexation across a water-oil droplet interface results in the formation of capsules with shell thicknesses of a few μm. Silica shell microcapsules exhibited a significant plastic response at small deformations, whereas lysozyme incorporated shells displayed a more elastic response. We exploit the plasticity of nanoparticle incorporated shells to produce microcapsules with high aspect ratio protrusions by micropipette aspiration.

  19. Utilizing Optical Coherence Tomography in the Nondestructive and Noncontact Measurement of Egg Shell Thickness

    Directory of Open Access Journals (Sweden)

    Metin Sabuncu


    Full Text Available The goal of this study was to measure the thickness of egg shells without any contact and by utilizing a nondestructive method that sends infrared light beam on the egg. We obtain measurement resolutions on the order of 7 μm up to a penetration depth of 1.7 mm from the actual surface of the egg shell. The measurement results we obtained show that optical coherence tomography can be used to accurately determine the egg shell thickness. Scanning the light beam over the surface allows for measuring the egg profile and monitoring the variations of shell thickness. Since this information gives a quantitative value for the uniformity of the egg shell structure, we anticipate that optical coherence tomography may be used in the quantitative evaluation of egg quality in in-line automated inspection systems.

  20. Recent developments in anisotropic heterogeneous shell theory

    CERN Document Server

    Grigorenko, Alexander Ya; Grigorenko, Yaroslav M; Vlaikov, Georgii G


    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.

  1. Indentation of ellipsoidal and cylindrical elastic shells. (United States)

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


    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.

  2. Indentation of Ellipsoidal and Cylindrical Elastic Shells

    KAUST Repository

    Vella, Dominic


    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.

  3. Turbine blade with spar and shell (United States)

    Davies, Daniel O [Palm City, FL; Peterson, Ross H [Loxahatchee, FL


    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.

  4. Multiplicity of atomic reconfigurations in an electrochemical Pb single-atom transistor (United States)

    Xie, F.-Q.; Lin, X.-H.; Gross, A.; Evers, F.; Pauly, F.; Schimmel, Th.


    One focus of nanoelectronics research is to exploit the physical limits in size and energy efficiency. Here, we demonstrate a device in the form of a fully metallic atomic-scale transistor based on a lead (Pb) single-atom quantum point contact. The atomic configuration of the point contact determines the conductance of the Pb atomic-scale transistor. The conductance multiplicity of the Pb single-atom transistor has been confirmed by performing switching between an electrically nonconducting "off-state" and conducting "on-states" at 1 G0( G0=2 e2/h , where e is the electron charge, and h Planck's constant), 2.0 G0, 3.0 G0, 1.5 G0, 2.4 G0, 2.7 G0, 2.8 G0, and 5.4 G0, respectively. Our density-functional calculations for various ideal Pb single-atom contacts explain the atomic-configuration-related conductance multiplicity of the Pb single-atom transistor. The performance of the Pb single-atom transistors indicates that both the signatures of atomic valence and conductance quantization play roles in electron transport and bistable reconfiguration. The bistable reconfiguration of the electrode tips is an underlying mechanism in the switching of the Pb atomic-scale transistors. The absolute value of the electrochemical potential applied to the gate electrode is less than 30 mV. This merit suggests Pb [besides silver (Ag)] atomic-scale transistors as potential candidates for the development of electronic circuits with low power consumption. The dimension of the switching unit in the Pb single-atom transistor is in the range of 1 nm, which is much smaller than the projected scaling limit of the gate lengths in silicon transistors (5 nm). Therefore, the metallic single-atom transistors may provide perspectives for electronic applications beyond silicon.

  5. Removal of Arsenic with Oyster Shell: Experimental Measurements

    Directory of Open Access Journals (Sweden)

    Md. Atiqur Rahman, , and


    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.

  6. Fabrication of magnetic Fe3O4@nSiO2@mSiO2-NH2 core-shell mesoporous nanocomposite and its application for highly efficient ultrasound assisted dispersive µSPE-spectrofluorimetric detection of ofloxacin in urine and plasma samples. (United States)

    Mirzajani, Roya; Pourreza, Nahid; Burromandpiroze, Jafar


    In this research, a sensitive, simple and rapid ultrasound assisted dispersive micro solid-phase extraction (USAD-µSPE) was developed using a synthesized core-shell magnetic mesoporous nanocomposite (Fe3O4@nSiO2@mSiO2-NH2) as an efficient adsorbent for the preconcentration and spectrofluorometric determination of ofloxacin (OFL) in biological samples. The synthesized adsorbent was characterized using FT-IR spectroscopy, transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), energy dispersive X-ray (EDX) spectroscopy, thermogravimetric analysis (TGA) and Brunauer-Emmett-Teller (BET) analysis. The application of this magnetic nanocomposite as a sensitive solid phase for removal, preconcentration and spectrofluorometric quantification of trace amount of OFL was developed. Influence of various variables including pH, sorbent dosage, desorption solvent properties and sonication time on present method response was studied and optimized. The results showed that using the proposed method OFL can be determined in the linear concentration range of 1.0-500.0µgL-1 with a limit of detection as low as 0.21µgL-1 and relative standard deviation less than 2.5 (%). The results of human urine and blood plasma analysis showed that the method is a good candidate for biological sample analysis purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Mg/Ca of Continental Ostracode Shells (United States)

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


    low. The water bodies near Valencia, Spain, range from 200mg/L to 65g/L with both [Mg] and [Ca] increasing with TDS, but at different rates because of carbonate precipitation. The lowest Mg/Ca was 0.5 in a dilute spring and the highest 6.5 in an evaporation pond with temperature at all sites being similar and highly variable. The observed Mg/Ca of the shells from all sites was generally between 0.005 and 0.025, but at any one site the range was only about 0.01 even at sites with monthly data for a full year, so capturing a wider range of temperature. So, unlike the first example, the low Mg/Ca range at individual sites seems to preclude defining a shell Mg temperature relation. In fact, the data show that very different TDS and different solute Mg/Ca result in a narrow range of shell Mg/Ca, as though ,C. torosa lived at a site with low temperature variability. Of interest, calculation of shell metal distribution coefficients, Kd, shows it goes from 0.025 for the dilute water to 0.005 for saline waters indicating that Kd is TDS dependent at these sites because the solutes all lie on a single solute evolution trend. These examples illustrate what can happen if ionic chemistry and TDS of seawater changes on glacial to interglacial or longer timescales, or if the same thermometer is applied to coastal settings. Palacios-Fest, M.R., and Dettman, D.L., 2001, Geochimica et Cosmochimica Acta, v. 65, p. 2499-2507.

  8. A continuous cold atomic beam interferometer

    Energy Technology Data Exchange (ETDEWEB)

    Xue, Hongbo [State Key Laboratory of Precision Measurement Technology and Instruments, Tsinghua University, Beijing 100084 (China); Joint Institute for Measurement Science, Tsinghua University, Beijing 100084 (China); Center for Space Science and Applied Research, Chinese Academy of Sciences, Beijing 100190 (China); Feng, Yanying, E-mail:; Yan, Xueshu; Jiang, Zhikun [State Key Laboratory of Precision Measurement Technology and Instruments, Tsinghua University, Beijing 100084 (China); Joint Institute for Measurement Science, Tsinghua University, Beijing 100084 (China); Chen, Shu [Joint Institute for Measurement Science, Tsinghua University, Beijing 100084 (China); Key Laboratory of Instrumentation Science, North University of China, Taiyuan 030051 (China); Wang, Xiaojia [College of Mechanical Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Zhou, Zhaoying [State Key Laboratory of Precision Measurement Technology and Instruments, Tsinghua University, Beijing 100084 (China)


    We demonstrate an atom interferometer that uses a laser-cooled continuous beam of {sup 87}Rb atoms having velocities of 10–20 m/s. With spatially separated Raman beams to coherently manipulate the atomic wave packets, Mach–Zehnder interference fringes are observed at an interference distance of 2L = 19 mm. The apparatus operates within a small enclosed area of 0.07 mm{sup 2} at a bandwidth of 190 Hz with a deduced sensitivity of 7.8×10{sup −5} rad/s/√(Hz) for rotations. Using a low-velocity continuous atomic source in an atom interferometer enables high sampling rates and bandwidths without sacrificing sensitivity and compactness, which are important for applications in real dynamic environments.

  9. Nature of the concentration thresholds of europium atom yield from the oxidized tungsten surface under electron stimulated desorption

    CERN Document Server

    Davydov, S Y


    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

  10. Læren fra Shell

    DEFF Research Database (Denmark)

    Ørding Olsen, Anders


    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...

  11. Shell Evolutions and Nuclear Forces (United States)

    Sorlin, O.


    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.

  12. 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)


    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.

  13. Determination of lead(II) sorption capacity of hazelnut shell and activated carbon obtained from hazelnut shell activated with ZnCl2. (United States)

    Şencan, Aziz; Karaboyacı, Mustafa; Kılıç, Mehmet


    This study aimed to determine the Pb(+2) adsorption capacities of hazelnut shell and activated carbon obtained from hazelnut shell. It also aimed to determine the effect of ZnCl2 in the activation process. The hazelnut was pyrolyzed at 250 and 700 °C. For determining the capture speed of the adsorbents, the pseudo-first- and second-order kinetic studies were performed. The Freundlich and Langmuir isotherm models were used to determine adsorption equilibrium. The surface characterization of hazelnut shell and activated carbon was determined by Brunauer-Emmett-Teller (BET) analysis and FTIR spectrum. Pb(+2) adsorption capacity of obtaining activated carbon was determined by ICP-OES analysis. The raw hazelnut shell's BET surface area is 5.92 m(2)/g and the surface area of activated carbons which is pyrolyzed at 250 and 700 °C were determined (270.2 and 686.7 m(2)/g, respectively. The surface area of hazelnut shell, which pyrolyzed at 700 °C after being activated with ZnCl2, was determined to be 736.49 m(2)/g. Results show that physical adsorption process is dominant for the activated carbon pyrolysis at 700 °C but the chemical adsorption is dominant for the activated carbon pyrolysis at lower degrees and for raw hazelnut shell.


    Energy Technology Data Exchange (ETDEWEB)

    Shara, Michael M.; Mizusawa, Trisha; Zurek, David [Department of Astrophysics, American Museum of Natural History, Central Park West at 79th Street, New York, NY 10024-5192 (United States); Wehinger, Peter [Steward Observatory, the University of Arizona, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Martin, Christopher D.; Neill, James D.; Forster, Karl [Department of Physics, Math and Astronomy, California Institute of Technology, 1200 East California Boulevard, Mail Code 405-47, Pasadena, CA 91125 (United States); Seibert, Mark [Observatories of the Carnegie Institution of Washington, 813 Santa Barbara Street, Pasadena, CA 91101 (United States)


    We are systematically surveying all known and suspected Z Cam-type dwarf novae for classical nova shells. This survey is motivated by the discovery of the largest known classical nova shell, which surrounds the archetypal dwarf nova Z Camelopardalis. The Z Cam shell demonstrates that at least some dwarf novae must have undergone classical nova eruptions in the past, and that at least some classical novae become dwarf novae long after their nova thermonuclear outbursts, in accord with the hibernation scenario of cataclysmic binaries. Here we report the detection of a fragmented 'shell', 3 arcmin in diameter, surrounding the dwarf nova AT Cancri. This second discovery demonstrates that nova shells surrounding Z Cam-type dwarf novae cannot be very rare. The shell geometry is suggestive of bipolar, conical ejection seen nearly pole-on. A spectrum of the brightest AT Cnc shell knot is similar to that of the ejecta of the classical nova GK Per, and of Z Cam, dominated by [N II] emission. Galaxy Evolution Explorer FUV imagery reveals a similar-sized, FUV-emitting shell. We determine a distance of 460 pc to AT Cnc, and an upper limit to its ejecta mass of {approx}5 Multiplication-Sign 10{sup -5} M {sub Sun }, typical of classical novae.

  15. Sound Radiation of Cylindrical Shells

    Directory of Open Access Journals (Sweden)

    B Alzahabi


    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.

  16. 3D Atomic Arrangement at Functional Interfaces Inside Nanoparticles by Resonant High-Energy X-ray Diffraction. (United States)

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


    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.

  17. A comparative study of Pt and Pt-Pd core-shell nanocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Long, Nguyen Viet, E-mail: [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: [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)


    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.

  18. Understanding irregular shell formation of Nautilus in aquaria: chemical composition and structural analysis. (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


    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.

  19. Atoms and molecules interacting with light atomic physics for the laser era

    CERN Document Server

    Straten, Peter van der


    This in-depth textbook with a focus on atom-light interactions prepares students for research in a fast-growing and dynamic field. Intended to accompany the laser-induced revolution in atomic physics, it is a comprehensive text for the emerging era in atomic, molecular and optical science. Utilising an intuitive and physical approach, the text describes two-level atom transitions, including appendices on Ramsey spectroscopy, adiabatic rapid passage and entanglement. With a unique focus on optical interactions, the authors present multi-level atomic transitions with dipole selection rules, and M1/E2 and multiphoton transitions. Conventional structure topics are discussed in some detail, beginning with the hydrogen atom and these are interspersed with material rarely found in textbooks such as intuitive descriptions of quantum defects. The final chapters examine modern applications and include many references to current research literature. The numerous exercises and multiple appendices throughout enable advanc...

  20. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip


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

  1. 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.

  2. When Atoms Want (United States)

    Talanquer, Vicente


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

  3. Atomicity in Electronic Commerce, (United States)


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

  4. Overview of Hanford Single Shell Tank (SST) Structural Integrity

    Energy Technology Data Exchange (ETDEWEB)

    Rast, Richard S.; Washenfelder, Dennis J.; Johnson, Jeremy M.


    To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration, Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford Single-Shell Tanks. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS. The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford Single-Shell Tanks has concluded that the tanks are structurally sound and meet current industry standards. Analysis of the remaining Hanford Single-Shell Tanks is scheduled for FY2014. Hanford Single-Shell Tanks are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of

  5. Reversed field pinch operation with intelligent shell feedback control in EXTRAP T2R (United States)

    Brunsell, P. R.; Kuldkepp, M.; Menmuir, S.; Cecconello, M.; Hedqvist, A.; Yadikin, D.; Drake, J. R.; Rachlew, E.


    Discharges in the thin shell reversed field pinch (RFP) device EXTRAP T2R without active feedback control are characterized by growth of non-resonant m = 1 unstable resistive wall modes (RWMs) in agreement with linear MHD theory. Resonant m = 1 tearing modes (TMs) exhibit initially fast rotation and the associated perturbed radial fields at the shell are small, but eventually TMs wall-lock and give rise to a growing radial field. The increase in the radial field at the wall due to growing RWMs and wall-locked TMs is correlated with an increase in the toroidal loop voltage, which leads to discharge termination after 3-4 wall times. An active magnetic feedback control system has been installed in EXTRAP T2R. A two-dimensional array of 128 active saddle coils (pair-connected into 64 independent m = 1 coils) is used with intelligent shell feedback control to suppress the m = 1 radial field at the shell. With feedback control, active stabilization of the full toroidal spectrum of 16 unstable m = 1 non-resonant RWMs is achieved, and TM wall locking is avoided. A three-fold extension of the pulse length, up to the power supply limit, is observed. Intelligent shell feedback control is able to maintain the plasma equilibrium for 10 wall times, with plasma confinement parameters sustained at values comparable to those obtained in thick shell devices of similar size.

  6. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald


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

  7. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques


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

  8. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski


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

  9. Atom Probe Tomography of Geomaterials (United States)

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


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

  10. Spectroscopic Investigations of Highly Charged Tungsten Ions - Atomic Spectroscopy and Fusion Plasma Diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Clementson, Joel [Lund Univ. (Sweden)


    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

  11. Layered Atom Arrangements in Complex Materials

    Energy Technology Data Exchange (ETDEWEB)

    K.E. Sikafus; R.W.Grimes; S.M.Corish; A.R. Cleave; M.Tang; C.R.Stanek; B.P. Uberuaga; J.A.Valdez


    In this report, we develop an atom layer stacking model to describe systematically the crystal structures of complex materials. To illustrate the concepts, we consider a sequence of oxide compounds in which the metal cations progress in oxidation state from monovalent (M{sup 1+}) to tetravalent (M{sup 4+}). We use concepts relating to geometric subdivisions of a triangular atom net to describe the layered atom patterns in these compounds (concepts originally proposed by Shuichi Iida). We demonstrate that as a function of increasing oxidation state (from M{sup 1+} to M{sup 4+}), the layer stacking motifs used to generate each successive structure (specifically, motifs along a 3 symmetry axis), progress through the following sequence: MMO, MO, M{sub r}O, MO{sub r/s}O{sub u/v}, MOO (where M and O represent fully dense triangular atom nets and r/s and u/v are fractions used to describe partially filled triangular atom nets). We also develop complete crystallographic descriptions for the compounds in our oxidation sequence using trigonal space group R{bar 3}.

  12. Atom-specific surface magnetometry

    Energy Technology Data Exchange (ETDEWEB)

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


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

  13. Understanding emergent collectivity and clustering in nuclei from a symmetry-based no-core shell-model perspective


    Dreyfuss, A. C.; Launey, K. D.; Dytrych, T.; Draayer, J. P.; Baker, R. B.; Deibel, C. M.; Bahri, C.


    We present a detailed discussion of the structure of the low-lying positive-parity energy spectrum of $^{12}$C from a no-core shell-model perspective. The approach utilizes a fraction of the usual shell-model space and extends its multi-shell reach via the symmetry-based no-core symplectic shell model (NCSpM) with a simple, physically-informed effective interaction. We focus on the ground-state rotational band, the Hoyle state and its $2^+$ and $4^+$ excitations, as well as the giant monopole...

  14. Directed assembly of bifunctional silica-iron oxide nanocomposite with open shell structure. (United States)

    Che, Hui Xin; Yeap, Swee Pin; Osman, Mohamed Syazwan; Ahmad, Abdul Latif; Lim, JitKang


    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.

  15. Ultrathin Epitaxial Cu@Au Core-Shell Nanowires for Stable Transparent Conductors. (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


    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.

  16. Ultrathin Interface Regime of Core-Shell Magnetic Nanoparticles for Effective Magnetism Tailoring. (United States)

    Moon, Seung Ho; Noh, Seung-Hyun; Lee, Jae-Hyun; Shin, Tae-Hyun; Lim, Yongjun; Cheon, Jinwoo


    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.

  17. Synthesis and characterization of PEG-iron oxide core-shell composite nanoparticles for thermal therapy. (United States)

    Wydra, Robert J; Kruse, Anastasia M; Bae, Younsoo; Anderson, Kimberly W; Hilt, J Zach


    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.

  18. Design and optimization of the large span dry-coal-shed latticed shell in Liyuan of Henan province

    Directory of Open Access Journals (Sweden)

    Du Wenfeng


    Full Text Available The design and optimization about the large span dry-coal-shed latticed shell in Liyuan of Henan province were studied. On the basis of the structural scheme of double-layer cylindrical reticulated shell, the optimization scheme of the folding double-layer cylindrical reticulated shell was proposed. Through the analysis of a plurality of calculation models, the optimal geometric parameters were obtained after discussing the influence of different slopes of folding lines and shell thickness on the structural bearing capacity and the amount of steel. The research results show that in the case of the same amount of steel, the ultimate bearing capacity of the double-layer folding cylindrical reticulated shell whose folding line slope is 9% and the shell thickness is about 4.4m can be increased 27.3% compared with the original design scheme.

  19. Yolk-shell structure of polyaniline-coated sulfur for lithium-sulfur batteries. (United States)

    Zhou, Weidong; Yu, Yingchao; Chen, Hao; DiSalvo, Francis J; Abruña, Héctor D


    Lithium–sulfur batteries have attracted much attention in recent years due to their high theoretical capacity of 1672 mAh g(–1) and low cost. However, a rapid capacity fade is normally observed, attributed mainly to polysulfide dissolution and volume expansion. Although many strategies have been reported to prolong the cyclability, the high cost and complex preparation processes still hinder their practical application. Here, we report the synthesis of a polyaniline–sulfur yolk–shell nanocomposite through a heating vulcanization of a polyaniline–sulfur core–shell structure. We observed that this heating treatment was much more effective than chemical leaching to prepare uniform yolk–shell structures. Compared with its sulfur–polyaniline core–shell counterparts, the yolk–shell nanostructures delivered much improved cyclability owing to the presence of internal void space inside the polymer shell to accommodate the volume expansion of sulfur during lithiation. The yolk–shell material exhibited a stable capacity of 765 mAh g(–1) at 0.2 C after 200 cycles, representing a promising future for industrial scale Li–S batteries.

  20. Cesium Atomic Fountain Clocks at NMIJ (United States)


    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.

  1. 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 ...

  2. Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell. (United States)

    Bodo, Enrico


    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+).

  3. Alternating current dielectrophoresis of core-shell nanoparticles: Experiments and comparison with theory (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.

  4. Topological defects in cholesteric liquid crystal shells. (United States)

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


    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


    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. Controllable Synthesis of TiO2@Fe2O3 Core-Shell Nanotube Arrays with Double-Wall Coating as Superb Lithium-Ion Battery Anodes (United States)

    Zhong, Yan; Ma, Yifan; Guo, Qiubo; Liu, Jiaqi; Wang, Yadong; Yang, Mei; Xia, Hui


    Highlighted by the safe operation and stable performances, titanium oxides (TiO2) are deemed as promising candidates for next generation lithium-ion batteries (LIBs). However, the pervasively low capacity is casting shadow on desirable electrochemical behaviors and obscuring their practical applications. In this work, we reported a unique template-assisted and two-step atomic layer deposition (ALD) method to achieve TiO2@Fe2O3 core-shell nanotube arrays with hollow interior and double-wall coating. The as-prepared architecture combines both merits of the high specific capacity of Fe2O3 and structural stability of TiO2 backbone. Owing to the nanotubular structural advantages integrating facile strain relaxation as well as rapid ion and electron transport, the TiO2@Fe2O3 nanotube arrays with a high mass loading of Fe2O3 attained desirable capacity of ~520 mA h g−1, exhibiting both good rate capability under uprated current density of 10 A g−1 and especially enhanced cycle stability (~450 mA h g−1 after 600 cycles), outclassing most reported TiO2@metal oxide composites. The results not only provide a new avenue for hybrid core-shell nanotube formation, but also offer an insight for rational design of advanced electrode materials for LIBs. PMID:28098237

  7. Bifurcation and Localization Instabilities in Cylindrical Shells under Bending. Part 1. Experiments (United States)


    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. Core-shell silk hydrogels with spatially tuned conformations as drug-delivery system. (United States)

    Yan, Le-Ping; Oliveira, Joaquim M; Oliveira, Ana L; Reis, Rui L


    Hydrogels of spatially controlled physicochemical properties are appealing platforms for tissue engineering and drug delivery. In this study, core-shell silk fibroin (SF) hydrogels of spatially controlled conformation were developed. The core-shell structure in the hydrogels was formed by means of soaking the preformed (enzymatically crosslinked) random coil SF hydrogels in methanol. When increasing the methanol treatment time from 1 to 10 min, the thickness of the shell layer can be tuned from about 200 to about 850 μm as measured in wet status. After lyophilization of the rehydrated core-shell hydrogels, the shell layer displayed compact morphology and the core layer presented porous structure, when observed by scanning electron microscopy. The conformation of the hydrogels was evaluated by Fourier transform infrared spectroscopy in wet status. The results revealed that the shell layer possessed dominant β-sheet conformation and the core layer maintained mainly random coil conformation. Enzymatic degradation data showed that the shell layers presented superior stability to the core layer. The mechanical analysis displayed that the compressive modulus of the core-shell hydrogels ranged from about 25 kPa to about 1.1 MPa by increasing the immersion time in methanol. When incorporated with albumin, the core-shell SF hydrogels demonstrated slower and more controllable release profiles compared with the non-treated hydrogel. These core-shell SF hydrogels of highly tuned properties are useful systems as drug-delivery system and may be applied as cartilage substitute. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  9. Plasma-assisted synthesis and high-resolution characterization of anisotropic elemental and bimetallic core–shell magnetic nanoparticles

    Directory of Open Access Journals (Sweden)

    M. Hennes


    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.

  10. Fabrication and photoelectrochemical properties of silicon nanowires/g-C{sub 3}N{sub 4} core/shell arrays

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Zhen [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Institute of Advanced Materials, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Ma, Ge [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Chen, Zhihong, E-mail: [Shenyang Institute of Automation, Guangzhou, Chinese Academy of Sciences, Guangzhou 511458 (China); Zhang, Yongguang [Research Institute for Energy Equipment Materials, Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology, Hebei University of Technology, Tianjin 300130 (China); Zhang, Zhe [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Gao, Jinwei [Institute of Advanced Materials, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Meng, Qingguo; Yuan, Mingzhe [Shenyang Institute of Automation, Guangzhou, Chinese Academy of Sciences, Guangzhou 511458 (China); Wang, Xin, E-mail: [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Liu, Jun-ming [Institute of Advanced Materials, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Zhou, Guofu [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China)


    Highlights: • A novel Silicon Nanowires/g-C{sub 3}N{sub 4} core/shell arrays photoanode prepared by a mild and inexpensive metal-catalyzed electroless etching (MCEE) process followed by liquid atomic layer deposition (LALD), wiich is a facile and low-cost method. • In comparison with FTO/g-C{sub 3}N{sub 4} and Si NWs samples, the Si NWs/g-C{sub 3}N{sub 4} samples showed significantly enhanced photocurrent which could be attributed to the SiNWs-based core/shell structure. • A systematical PEC mechanism of the Si NWs/g-C{sub 3}N{sub 4} was proposed is this manuscript. - Abstract: A photoelectrochemical (PEC) cell made of metal-free carbon nitride (g-C{sub 3}N{sub 4}) @siliconnanowire(Si NW) arrays (denoted as Si NWs/g-C{sub 3}N{sub 4}) is presented in this work. The as-prepared photoelectrodes with different mass contents of g-C{sub 3}N{sub 4} have been synthesized via a metal-catalyzed electroless etching (MCEE), liquid atomic layer deposition (LALD) and annealing methods. The amount of g-C{sub 3}N{sub 4} on the Si NW arrays can be controlled by tuning the concentration of the cyanamide solution used in the LALD procedure. The dense and vertically aligned Si NWs/g-C{sub 3}N{sub 4} core/shell nanostructures were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray diffraction (XRD). In comparison with FTO/g-C{sub 3}N{sub 4} and Si NW samples, the Si NWs/g-C{sub 3}N{sub 4} samples showed significantly enhanced photocurrents over the entire potential sweep range. Electrochemical impedance spectroscopy (EIS) was conducted to investigate the properties of the charge transfer process, and the results indicated that the enhanced PEC performance may be due to the increased photo-generated interfacial charge transfer between the Si NWs and g-C{sub 3}N{sub 4}. The photocurrent density reached 45 μA/cm{sup 2} under 100 mW/cm{sup 2} (AM 1.5 G) illumination at 0 V (vs. Pt) in neutral Na{sub 2}SO{sub 4} solution (pH ∼ 7

  11. Fossorial origin of the turtle shell


    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.


    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...

  12. Clustering aspects and the shell model


    Arima, Akito


    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.

  13. Indentation of pressurized viscoplastic polymer spherical shells

    DEFF Research Database (Denmark)

    Tvergaard, Viggo; Needleman, A.


    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...

  14. Integrable structure in discrete shell membrane theory. (United States)

    Schief, W K


    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.

  15. Hohlraum-driven mid-Z (SiO2) double-shell implosions on the omega laser facility and their scaling to NIF. (United States)

    Robey, H F; Amendt, P A; Milovich, J L; Park, H-S; Hamza, A V; Bono, M J


    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)].

  16. First-principles investigation on Au n @(ZnO)42 (n = 6-16) core-shell nanoparticles: structure stability and catalytic activity (United States)

    Hu, Yaowen; Huo, Jinrong; Wang, Xiaoxu; Wang, Rongming


    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.

  17. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico


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

  18. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W


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

  19. Off-axis excitation of hydrogenlike atoms by twisted photons (United States)

    Afanasev, Andrei; Carlson, Carl E.; Mukherjee, Asmita


    We show that the twisted-photon states, or photon states with large (>ℏ) angular momentum projection (mγ) in the direction of motion, can photoexcite atomic levels for a hydrogenlike atom that are novel and distinct and are not restricted by mγ, when the symmetry axis of the twisted-photon beam does not coincide with the center of the atomic target. Selection rules are given and interesting implications and observables for the above process are pointed out.

  20. Pathological behavior of the open-shell restricted self-consistent-field equations

    Energy Technology Data Exchange (ETDEWEB)

    Moscardo, F.; Alvarez-Collado, J.R.


    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.

  1. 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.


    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...


    Directory of Open Access Journals (Sweden)

    Paul Ziemann


    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.

  3. Material with core-shell structure (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


    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.

  4. Carbon isotopes in mollusk shell carbonates (United States)

    McConnaughey, Ted A.; Gillikin, David Paul


    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.

  5. Spherical-shell model for the van der Waals coefficients between fullerenes and/or nearly spherical nanoclusters. (United States)

    Perdew, John P; Tao, Jianmin; Hao, Pan; Ruzsinszky, Adrienn; Csonka, Gábor I; Pitarke, J M


    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.

  6. Voronoi Grid-Shell Structures


    Pietroni, Nico; Tonelli, Davide; Puppo, Enrico; Froli, Maurizio; Scopigno, Roberto; Cignoni, Paolo


    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...

  7. 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:, E-mail:, E-mail:, E-mail: [Centro de Astronomia e Astrofísica da Universidade de Lisboa, Campo Grande, Edifício C8 1749-016 Lisboa (Portugal)


    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.

  8. 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)


    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.

  9. One-pot synthesis and characterization of rhodamine derivative-loaded magnetic core-shell nanoparticles (United States)

    Zhang, Jin; Li, Jiaxin; Razavi, Fereidoon S.; Mumin, Abdul Md.


    A new method to produce elaborate nanostructure with magnetic and fluorescent properties in one entity is reported in this article. Magnetite (Fe3O4) coated with fluorescent silica (SiO2) shell was produced through the one-pot reaction, in which one reactor was utilized to realize the synthesis of superparamagnetic core of Fe3O4, the formation of SiO2 coating through the condensation and polymerization of tetraethylorthosilicate (TEOS), and the encapsulation of tetramethyl rhodamine isothiocyanate-dextran (TRITC-dextran) within silica shell. Transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, and X-ray diffraction (XRD) were carried out to investigate the core-shell structure. The magnetic core of the core-shell nanoparticles is 60 ± 10 nm in diameter. The thickness of the fluorescent SiO2 shell is estimated at 15 ± 5 nm. In addition, the fluorescent signal of the SiO2 shell has been detected by the laser confocal scanning microscopy (LCSM) with emission wavelength (λem) at 566 nm. In addition, the magnetic properties of TRITC-dextran loaded silica-coating iron oxide nanoparticles (Fe3O4@SiO2 NPs) were studied. The hysteresis loop of the core-shell NPs measured at room temperature shows that the saturation magnetization ( M s) is not reached even at the field of 70 kOe (7 T). Meanwhile, the very low coercivity ( H c) and remanent magnetization ( M r) are 0.375 kOe and 6.6 emu/g, respectively, at room temperature. It indicates that the core-shell particles have the superparamagnetic properties. The measured blocking temperature ( T B) of the TRITC-dextran loaded Fe3O4@SiO2 NPs is about 122.5 K. It is expected that the multifunctional core-shell nanoparticles can be used in bio-imaging.

  10. Simulasi Performansi Heat Exchanger Type Shell And Tube Dengan Double Segmental Baffle Terhadap Helical Baffle

    Directory of Open Access Journals (Sweden)

    Anggareza Adhitiya


    Full Text Available Pada heat exchanger type shell and tube, selain pengunaan baffle yang bertujuan untuk mengarahkan aliran pada sisi shell juga bertujuan untuk meningkatkan laju perpindahan panas yang terjadi antara fluida kerja dengan cara menimbulkan olakan aliran di sisi shell. Olakan –olakan ini nantinya yang akan mempengaruhi besarnya perpindahan panas dalam sisi shell. Pada kondisi standart baffle yang digunakan pada tugas akhir ini adalah jenis double segmental. Double segmental baffle mempunyai tingkat pressure drop yang cukup besar. sehingga perlu di ganti dengan baffle jenis helical yang mempunyai pressure drop yang lebih kecil. Untuk mengetahui performansi heat exchanger maka perlu adanya penelitian lebih lanjut simulasi numerik pada baffle heat exchanger type shell and tube. agar didapat pengaruh jenis baffle yang di gunakan terhadap karakteristik aliran dan perpindahan panas dari suatu heat exchanger type shell and tube. Tugas Akhir ini menggunakan program GAMBIT 2.4.6 untuk penggambaran geometri secara tiga dimensi dan program FLUENT 6.3.26 untuk mensimulasi aliran yang terjadi di dalam shell and tube heat exchanger. Pada software FLUENT 6.3.26 digunakan permodelan 3D Steady Flow dengan  memilih k – Epsilon RNG sebagai turbulence modeling serta mengaktifkan persamaan energy. Penelitian dilakukan dengan menggunakan dua variasi heat exchanger dengan jenis baffle yang berbeda .Heat exchanger type shell and tube dengan jenis double segmental baffle mempunyai nilai koefisien konveksi rata-rata = 218.408 w/m2.K. Sedangkan untuk helical baffle sebesar = 171.122 w/m2.K. Temperature outflow pada heat exchanger type shell and tube dengan jenis double segmental baffle = 306.7450K. Di ikuti dengan pressure drop sebesar = 2100 pascal Sedangkan untuk helical baffle mempunyai temperatur outflow sebesar = 307.0220K dengan pressure drop sebesar = 500 pascal.

  11. 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 ...

  12. 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.


    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...

  13. 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.


    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

  14. 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 ...

  15. 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 ...

  16. Atomic & Molecular Interactions

    Energy Technology Data Exchange (ETDEWEB)



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

  17. The Casimir atomic pendulum

    Energy Technology Data Exchange (ETDEWEB)

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


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

  18. The Casimir atomic pendulum (United States)

    Razmi, H.; Abdollahi, M.


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

  19. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J


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

  20. Dalton's Atomic Theory

    National Research Council Canada - National Science Library



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

  1. Atomic Interferometry Project (United States)

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

  2. Topics in atomic physics

    CERN Document Server

    Burkhardt, Charles E


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

  3. Zeeman atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hadeishi, T.; McLaughlin, R.


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

  4. Anomalous diamagnetic susceptibility in 13-atom platinum nanocluster superatoms. (United States)

    Roduner, Emil; Jensen, Christopher; van Slageren, Joris; Rakoczy, Rainer A; Larlus, Oliver; Hunger, Michael


    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.

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


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

  6. Self-assembly of polyamines as a facile approach to fabricate permeability tunable polymeric shells for biomolecular encapsulation. (United States)

    Jianhao, Bai; Sebastian, Beyer; Yein, Toh Soo; Dieter, Trau


    In this article, the self-assembly of polyamines as a facile approach to fabricate permeability tunable polymeric shells for encapsulation of relatively low molecular weight (LM(w)) hydrophilic biomacromolecules (M(w) ≈ 4000 Da) is presented. The entire process is performed in organic solvents within 2 to 4 h to allow for nearly 100% encapsulation yield. The polymeric shells are fabricated by a two-step process: 1) The self-assembly of polyamines (nonionized poly(allylamine) (niPA) or branched nonionized polyethyleneimine (niPEI)) within porous agarose microbeads via an inwards buildup self-assembly process. 2) Stabilization of assembled polyamines either via covalent (cross-linkers) or ionic bonding (complex with nonionized poly(styrene sulfonic acid) (niPSS)). Stable and distinct polymeric shells are formed in both cases. The shell thickness is demonstrated to be tunable within a range of 1 to 14 μm; and as the inwards buildup self-assembly technique is not a self-limiting process, shells with broader thicknesses can be achieved. Also, it is demonstrated that the polymer density of the shell can be tuned. Depending on the fabrication parameters, the resulting polymeric shells have been demonstrated to have different permeability characteristics for relatively LM(W) dextran (M(W) ≈ 4000 Da). For example, niPEI shells are observed to have a higher permeability than niPA shells. Therefore, polymeric capsules can be fabricated via this facile approach for either retention of relatively LM(w) hydrophilic biomacromolecules or designed to passively or responsively release the biomacromolecule payload. This two-step shell fabrication process represent an alternative and facile approach for the fabrication of self-assembled polymeric shells in the fields of capsule-based reactors/sensors and drugs/gene delivery where relatively LM(w) macromolecules are concerned.

  7. Wave Atom Based Watermarking


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


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

  8. Hirshfeld atom refinement. (United States)

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


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

  9. Atoms, molecules & elements

    CERN Document Server

    Graybill, George


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

  10. Atomic Bomb Health Benefits


    Luckey, T. D.


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

  11. Decomposition of Protein Experimental Compressibility into Intrinsic and Hydration Shell Contributions (United States)

    Dadarlat, Voichita M.; Post, Carol Beth


    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

  12. Ocean acidification reduces the crystallographic control in juvenile mussel shells. (United States)

    Fitzer, Susan C; Cusack, Maggie; Phoenix, Vernon R; Kamenos, Nicholas A


    Global climate change threatens the oceans as anthropogenic carbon dioxide causes ocean acidification and reduced carbonate saturation. Future projections indicate under saturation of aragonite, and potentially calcite, in the oceans by 2100. Calcifying organisms are those most at risk from such ocean acidification, as carbonate is vital in the biomineralisation of their calcium carbonate protective shells. This study highlights the importance of multi-generational studies to investigate how marine organisms can potentially adapt to future projected global climate change. Mytilus edulis is an economically important marine calcifier vulnerable to decreasing carbonate saturation as their shells comprise two calcium carbonate polymorphs: aragonite and calcite. M. edulis specimens were cultured under current and projected pCO2 (380, 550, 750 and 1000μatm), following 6months of experimental culture, adults produced second generation juvenile mussels. Juvenile mussel shells were examined for structural and crystallographic orientation of aragonite and calcite. At 1000μatm pCO2, juvenile mussels spawned and grown under this high pCO2 do not produce aragonite which is more vulnerable to carbonate under-saturation than calcite. Calcite and aragonite were produced at 380, 550 and 750μatm pCO2. Electron back scatter diffraction analyses reveal less constraint in crystallographic orientation with increased pCO2. Shell formation is maintained, although the nacre crystals appear corroded and crystals are not so closely layered together. The differences in ultrastructure and crystallography in shells formed by juveniles spawned from adults in high pCO2 conditions may prove instrumental in their ability to survive ocean acidification. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. Fullerenes in Aromatic Solvents: Correlation between Solvation-Shell Structure, Solvate Formation, and Solubility. (United States)

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


    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.

  14. Size- and Shape-Controlled Synthesis and Properties of Magnetic-Plasmonic Core-Shell Nanoparticles. (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


    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.

  15. Anisotropic syntheses of boat-shaped core shell Au Ag nanocrystals and nanowires (United States)

    Yang, Zusing; Chang, Huan-Tsung


    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.

  16. 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: [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); Quinet, P., E-mail: [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); IPNAS, Université de Liège, B-4000 Liège (Belgium); Batani, D., E-mail: [CELIA, Université de Bordeaux, F-33400 Talence (France)


    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)

  17. Large-area super-resolution optical imaging by using core-shell microfibers (United States)

    Liu, Cheng-Yang; Lo, Wei-Chieh


    We first numerically and experimentally report large-area super-resolution optical imaging achieved by using core-shell microfibers. The particular spatial electromagnetic waves for different core-shell microfibers are studied by using finite-difference time-domain and ray tracing calculations. The focusing properties of photonic nanojets are evaluated in terms of intensity profile and full width at half-maximum along propagation and transversal directions. In experiment, the general optical fiber is chemically etched down to 6 μm diameter and coated with different metallic thin films by using glancing angle deposition. The direct imaging of photonic nanojets for different core-shell microfibers is performed with a scanning optical microscope system. We show that the intensity distribution of a photonic nanojet is highly related to the metallic shell due to the surface plasmon polaritons. Furthermore, large-area super-resolution optical imaging is performed by using different core-shell microfibers placed over the nano-scale grating with 150 nm line width. The core-shell microfiber-assisted imaging is achieved with super-resolution and hundreds of times the field-of-view in contrast to microspheres. The possible applications of these core-shell optical microfibers include real-time large-area micro-fluidics and nano-structure inspections.

  18. Core-Shell Composite Fibers for High-Performance Flexible Supercapacitor Electrodes. (United States)

    Lu, Xiaoyan; Shen, Chen; Zhang, Zeyang; Barrios, Elizabeth; Zhai, Lei


    Core-shell nanofibers containing poly(acrylic acid) (PAA) and manganese oxide nanoparticles as the core and polypyrrole (PPy) as the shell were fabricated through electrospinning the solution of PAA and manganese ions (PAA/Mn2+). The obtained nanofibers were stabilized by Fe3+ through the interaction between Fe3+ ions and carboxylate groups. Subsequent oxidation of Mn2+ by KMnO4 produced uniform manganese dioxide (MnO2) nanoparticles in the fibers. A PPy shell was created on the fibers by immersing the fibers in a pyrrole solution where the Fe3+ ions in the fiber polymerized the pyrrole on the fiber surfaces. In the MnO2@PAA/PPy core-shell composite fibers, MnO2 nanoparticles function as high-capacity materials, while the PPy shell prevents the loss of MnO2 during the charge/discharge process. Such a unique structure makes the composite fibers efficient electrode materials for supercapacitors. The gravimetric specific capacity of the MnO2@PAA/PPy core-shell composite fibers was 564 F/g based on cyclic voltammetry curves at 10 mV/s and 580 F/g based on galvanostatic charge/discharge studies at 5 A/g. The MnO2@PAA/PPy core-shell composite fibers also present stable cycling performance with 100% capacitance retention after 5000 cycles.

  19. A slow gravity compensated atom laser

    DEFF Research Database (Denmark)

    Kleine Büning, G.; Will, J.; Ertmer, W.


    We report on a slow guided atom laser beam outcoupled from a Bose–Einstein condensate of 87Rb atoms in a hybrid trap. The acceleration of the atom laser beam can be controlled by compensating the gravitational acceleration and we reach residual accelerations as low as 0.0027 g. The outcoupling...... mechanism allows for the production of a constant flux of 4.5×106 atoms per second and due to transverse guiding we obtain an upper limit for the mean beam width of 4.6 μm. The transverse velocity spread is only 0.2 mm/s and thus an upper limit for the beam quality parameter is M 2=2.5. We demonstrate...... the potential of the long interrogation times available with this atom laser beam by measuring the trap frequency in a single measurement. The small beam width together with the long evolution and interrogation time makes this atom laser beam a promising tool for continuous interferometric measurements....

  20. Room-temperature ferromagnetism in CrSi2(core)/SiO2(shell) semiconducting nanocables (United States)

    Hou, Te-Chien; Han, You-Hong; Lo, Shen-Chuan; Lee, Cheng-Tse; Ouyang, Hao; Chen, Lih-Juann


    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.

  1. Gravitational Wave Detection with Atom Interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Dimopoulos, Savas; /Stanford U., Phys. Dept.; Graham, Peter W.; /SLAC /Stanford U., Phys. Dept.; Hogan, Jason M.; Kasevich, Mark A.; /Stanford U., Phys. Dept.; Rajendran, Surjeet; /SLAC /Stanford U., Phys. Dept.


    We propose two distinct atom interferometer gravitational wave detectors, one terrestrial and another satellite-based, utilizing the core technology of the Stanford 10m atom interferometer presently under construction. The terrestrial experiment can operate with strain sensitivity {approx} 10{sup -19}/{radical}Hz in the 1 Hz-10 Hz band, inaccessible to LIGO, and can detect gravitational waves from solar mass binaries out to megaparsec distances. The satellite experiment probes the same frequency spectrum as LISA with better strain sensitivity {approx} 10{sup -20}/{radical}Hz. Each configuration compares two widely separated atom interferometers run using common lasers. The effect of the gravitational waves on the propagating laser field produces the main effect in this configuration and enables a large enhancement in the gravitational wave signal while significantly suppressing many backgrounds. The use of ballistic atoms (instead of mirrors) as inertial test masses improves systematics coming from vibrations and acceleration noise, and reduces spacecraft control requirements.

  2. Fabrication of polyimide shells by vapor phase deposition for use as ICF targets

    Energy Technology Data Exchange (ETDEWEB)

    Alfonso, E.L.; Tsai, F.Y.; Chen, S.H.; Gram, R.Q.; Harding, D.R. [Univ. of Rochester, NY (United States). Lab. for Laser Energetics


    Hollow polyimide shells, for use as ICF targets, were fabricated by co-depositing monomer precursors from the vapor phase onto bounced spherical mandrels. The process involved two stages: first, the deposited monomers (pyromellitic dianhydride and 4,4{prime}-oxydianiline) reacted on the mandrel surface to form polyamic acid; second, the mandrel was heated to 300 C to imidize the polyamic acid and to decompose the mandrel. During this latter process the decomposed mandrel diffused through the thermally stable coating, leaving a polyimide shell. Depositions were performed under low ({approximately}10{sup {minus}3} Torr) and high ({approximately}10{sup {minus}6} Torr) vacuum. Also, flat witness films of polyimide deposited on Si wafers and NaCl allowed the mechanical properties and chemical composition of the film during the heating cycle to be measured. Polyimide shells with diameters ranging from 700 to 950 {micro}m and wall thicknesses ranging from 2 to 13 {micro}m were produced. The shell`s sphericity was greater than 99%. Burst and buckle pressure tests on these shells yielded the estimated mechanical strength properties. The elastic modulus and tensile strength were {approximately}15 GPa and {approximately}300 MPa, respectively. The permeability of D{sub 2} through polyamic acid at 25 C was 7.4 {times} 10{sup {minus}17} mol{center_dot}m/m{sup 2}{center_dot}Pa{center_dot}s and increased to 6.4 {times} 10{sup {minus}16} mol{center_dot}m/m{sup 2}{center_dot}Pa{center_dot}s at 25 C upon curing the shell to 150 C. The permeability of D{sub 2} at 25 C through vapor-deposited polyimide flat films was measured to be 240 times greater than through the as-deposited polyamic acid, and about 7 times greater than through commercially available solution-cast Kapton.

  3. Deep-sea ostracode shell chemistry (Mg:Ca ratios) and late Quaternary Arctic Ocean history (United States)

    Cronin, T. M.; Dwyer, Gary S.; Baker, P.A.; Rodriguez-Lazaro, J.; Briggs, W.M.; ,


    The magnesium:calcium (Mg:Ca) and strontium:calcium (Sr:Ca) ratios were investigated in shells of the benthic ostracode genus Krithe obtained from 64 core-tops from water depths of 73 to 4411 m in the Arctic Ocean and Nordic seas to determine the potential of ostracode shell chemistry for palaeoceanographic study. Shells from the Polar Surface Water (−1 to −1.5°C) had Mg:Ca molar ratios of about 0.006–0.008; shells from Arctic Intermediate Water (+0.3 to +2.0°C) ranged from 0.09 to 0.013. Shells from the abyssal plain and ridges of the Nansen, Amundsen and Makarov basins and the Norwegian and Greenland seas had a wide scatter of Mg:Ca ratios ranging from 0.007 to 0.012 that may signify post-mortem chemical alteration of the shells from Arctic deep-sea environments below about 1000 m water depth. There is a positive correlation (r2 = 0.59) between Mg:Ca ratios and bottom-water temperature in Krithe shells from Arctic and Nordic seas from water depths <900 m. Late Quaternary Krithe Mg:Ca ratios were analysed downcore using material from the Gakkel Ridge (water depths 3047 and 3899 m), the Lomonosov Ridge (water depth 1051 m) and the Amundsen Basin (water depth 4226 m) to test the core-top Mg:Ca temperature calibration. Cores from the Gakkel and Lomonosov ridges display a decrease in Mg:Ca ratios during the interval spanning the last glacial/deglacial transition and the Holocene, perhaps related to a decrease in bottom water temperatures or other changes in benthic environments.

  4. 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:


    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)

  5. Thick-shell nanocrystal quantum dots (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


    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.

  6. Periodic Orbits and Deformed Shell Structure


    Arita, K.; Magner, A. G.; Matsuyanagi, K.


    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.

  7. Measuring galaxy potentials using shell kinematics

    NARCIS (Netherlands)

    Merrifield, MR; Kuijken, K


    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


    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 ...

  9. Dynamic analysis of conical shells conveying fluid (United States)

    Senthil Kumar, D.; Ganesan, N.


    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.

  10. Strength Calculation of Locally Loaded Orthotropic Shells

    Directory of Open Access Journals (Sweden)

    Yu. I. Vinogradov


    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.

  11. 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)


    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.

  12. Microsoft Exchange Server PowerShell cookbook

    CERN Document Server

    Andersson, Jonas


    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.

  13. Collapsing spherical null shells in general relativity

    Directory of Open Access Journals (Sweden)

    S Khakshournia


    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.

  14. Faraday Wave Turbulence on a Spherical Liquid Shell (United States)

    Holt, R. Glynn; Trinh, Eugene H.


    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.

  15. Structural Evolution of Core-Shell Gold Nanoclusters: Aun(-) (n = 42-50). (United States)

    Pande, Seema; Huang, Wei; Shao, Nan; Wang, Lei-Ming; Khetrapal, Navneet; Mei, Wai-Ning; Jian, Tian; Wang, Lai-Sheng; Zeng, Xiao Cheng


    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.

  16. A peridynamic theory for linear elastic shells

    CERN Document Server

    Chowdhury, Shubhankar Roy; Roy, Debasish; Reddy, J N


    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.

  17. Structural shell analysis understanding and application

    CERN Document Server

    Blaauwendraad, Johan


    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...

  18. Variability in shell models of GRBs (United States)

    Sumner, M. C.; Fenimore, E. E.


    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.

  19. Impact of high pCO2 on shell structure of the bivalve Cerastoderma edule. (United States)

    Milano, Stefania; Schöne, Bernd R; Wang, Schunfeng; Müller, Werner E


    Raised atmospheric emissions of carbon dioxide (CO2) result in an increased ocean pCO2 level and decreased carbonate saturation state. Ocean acidification potentially represents a major threat to calcifying organisms, specifically mollusks. The present study focuses on the impact of elevated pCO2 on shell microstructural and mechanical properties of the bivalve Cerastoderma edule. The mollusks were collected from the Baltic Sea and kept in flow-through systems at six different pCO2 levels from 900 μatm (control) to 24,400 μatm. Extreme pCO2 levels were used to determine the effects of potential leaks from the carbon capture and sequestration sites where CO2 is stored in sub-seabed geological formations. Two approaches were combined to determine the effects of the acidified conditions: (1) Shell microstructures and dissolution damage were analyzed using scanning electron microscopy (SEM) and (2) shell hardness was tested using nanoindentation. Microstructures of specimens reared at different pCO2 levels do not show significant changes in their size and shape. Likewise, the increase of pCO2 does not affect shell hardness. However, dissolution of ontogenetically younger portions of the shell becomes more severe with the increase of pCO2. Irrespective of pCO2, strong negative correlations exist between microstructure size and shell mechanics. An additional sample from the North Sea revealed the same microstructural-mechanical interdependency as the shells from the Baltic Sea. Our findings suggest that the skeletal structure of C. edule is not intensely influenced by pCO2 variations. Furthermore, our study indicates that naturally occurring shell mechanical property depends on the shell architecture at μm-scale. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Characterisation of Co@Fe3O4 core@shell nanoparticles using advanced electron microscopy (United States)

    Knappett, Benjamin R.; Abdulkin, Pavel; Ringe, Emilie; Jefferson, David A.; Lozano-Perez, Sergio; Rojas, T. Cristina; Fernández, Asunción; Wheatley, Andrew E. H.


    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