WorldWideScience

Sample records for atomic shells

  1. Atomic inner-shell transitions

    Science.gov (United States)

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

    1984-01-01

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

  2. Atomic processes in nova shells

    International Nuclear Information System (INIS)

    The unusual spectra of the spatially-resolved nova shells of DQ Her, T Aur and CP Pup are reviewed. Because calculations for these conditions have not been made, recombination models of HI, HeI and CNO from a neutral to a doubly ionized state were constructed. The models are described and the results presented for densities at various temperatures. A photoionization model is also described. The effects of non-uniform density distributions in nova shells have been investigated and the observational consequences discussed. A model of the CP Pup shell is described and the evolution of this plasma during the nova's constant luminosity phase traced. The properties of neon novae are summarized and compared with the features seen in the optical spectra of old classical novae. Enhanced neon abundances are used in the model of the CP Pup Shell to investigate its effect on the evolution of the shell. Finally, the results of some near-infrared observations made on the shells of CP Pup, RR Pic and T Pyx are reported. 245 refs., 48 tabs., 17 figs

  3. The Atomic Regular Polyhedron Electronic Shell

    Directory of Open Access Journals (Sweden)

    Zilong Kong

    2013-10-01

    Full Text Available The periodic table of elements is arranged based on a series of regular polyhedron. The stability of inert gas atoms can be explained by the distribution of electrons, as well as their motion and magnetic force structure. A magnetic force regular octahedron is proposed. It is a unique configuration that best satisfies the convergence of electrons moving in the same direction within regular polyhedra. In the case of an electrostatic force crust, the formal electron spin accounts for the crusts intrinsic magnetic moment exceeding the speed of light. If one is to consider that the electron has a magnetic outer layer and an electrostatic inner layer, then the question can be solved and abovementioned inference can provide the basis for magnetic force and momentum for the regular octahedron model. The electron periphery has twenty-petal adsorptive substances; the existence of adsorptive substance causes the magnetic force greater than the electrostatic force. Each electronic shell in the regular polyhedron is in accordance with the electron configuration of periodic table of elements; the kinetic track of each electron is a surface of regular polyhedron. The magnetic properties of iron, cobalt, and nickel can be explained by the regular dodecahedron electronic shell of an atom. The electron orbit converged from reverse direction can explain diamond. The adsorptive substances found in atomic nuclei and electrons are defined as magnetic particles called magnetons. The thermodynamic magneton theory can be better explained when it is analyzed using principles of thermodynamics, superconductivity, viscosity, and even in the creation of glass. The structure of the light is a helical line.

  4. Inner-shell excitation of alkali-metal atoms

    International Nuclear Information System (INIS)

    Inner-shell excitation of alkali-metal atoms, which leads to auto-ionization, is reviewed. The validity of quantum mechanical approximation is analyzed and the importance of exchange and correlation is demonstrated. Basic difficulties in making accurate calculations for inner-shell excitation process are discussed. Suggestions are made for further study of inner-shell process in atoms and ions. (author). 26 refs, 4 figs, 1 tab

  5. Atomic shell structure from the Single-Exponential Decay Detector

    International Nuclear Information System (INIS)

    The density of atomic systems is analysed via the Single-Exponential Decay Detector (SEDD). SEDD is a scalar field designed to explore mathematical, rather than physical, properties of electron density. Nevertheless, it has been shown that SEDD can serve as a descriptor of bonding patterns in molecules as well as an indicator of atomic shells [P. de Silva, J. Korchowiec, and T. A. Wesolowski, ChemPhysChem 13, 3462 (2012)]. In this work, a more detailed analysis of atomic shells is done for atoms in the Li–Xe series. Shell populations based on SEDD agree with the Aufbau principle even better than those obtained from the Electron Localization Function, which is a popular indicator of electron localization. A link between SEDD and the local wave vector is given, which provides a physical interpretation of SEDD

  6. Atomic-level models of the bacterial carboxysome shell

    International Nuclear Information System (INIS)

    The carboxysome is a bacterial microcompartment that functions as a simple organelle by sequestering enzymes involved in carbon fixation. The carboxysome shell is roughly 800 to 1400 angstroms in diameter and is assembled from several thousand protein subunits. Previous studies have revealed the three-dimensional structures of hexameric carboxysome shell proteins, which self-assemble into molecular layers that most likely constitute the facets of the polyhedral shell. Here, we report the three-dimensional structures of two proteins of previously unknown function, CcmL and OrfA (or CsoS4A), from the two known classes of carboxysomes, at resolutions of 2.4 and 2.15 angstroms. Both proteins assemble to form pentameric structures whose size and shape are compatible with formation of vertices in an icosahedral shell. Combining these pentamers with the hexamers previously elucidated gives two plausible, preliminary atomic models for the carboxysome shell.

  7. Kinetic-energy density functional: Atoms and shell structure

    International Nuclear Information System (INIS)

    We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

  8. Shell evolution of atomic nuclei due to the tensor force

    International Nuclear Information System (INIS)

    Magic numbers and shell structure are extremely important for the study of atomic nuclei, as they determine the mass, the shape of surface, and the limit of the existence of nuclei, and have been considered to be universal over all nuclei, since Mayer and Jensen (1949). However, recent studies on exotic nuclei with large variations of proton or neutron numbers indicate that the changes of magic numbers and shell structure, i.e, shell evolution, arise due to nuclear forces, in particular the tensor force, demolishing this universality. We shall present an overview of such a paradigm shift emerging in exotic nuclei. (author)

  9. Double K-shell photoionization of atomic beryllium

    Energy Technology Data Exchange (ETDEWEB)

    Yip, F. L. [Departamento de Quimica, Modulo 13, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Martin, F. [Departamento de Quimica, Modulo 13, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Instituto Madrilen(tilde sign)o de Estudios Avanzados en Nanociencia, Cantoblanco, E-28049 Madrid (Spain); McCurdy, C. W. [Department of Chemistry, University of California, Davis, California 95616 (United States); Lawrence Berkeley National Laboratory, Chemical Sciences, and Ultrafast X-ray Science Laboratory, Berkeley, California 94720 (United States); Rescigno, T. N. [Lawrence Berkeley National Laboratory, Chemical Sciences, and Ultrafast X-ray Science Laboratory, Berkeley, California 94720 (United States)

    2011-11-15

    Double photoionization of the core 1s electrons in atomic beryllium is theoretically studied using a hybrid approach that combines orbital and grid-based representations of the Hamiltonian. The {sup 1} S ground state and {sup 1} P final state contain a double occupancy of the 2s valence shell in all configurations used to represent the correlated wave function. Triply differential cross sections are evaluated, with particular attention focused on a comparison of the effects of scattering the ejected electrons through the spherically symmetric valence shell with similar cross sections for helium, representing a purely two-electron target with an analogous initial-state configuration.

  10. Inner-shell Photoionization Studies of Neutral Atomic Nitrogen

    Science.gov (United States)

    Stolte, W. C.; Jonauskas, V.; Lindle, D. W.; Sant'Anna, M. M.; Savin, D. W.

    2016-02-01

    Inner-shell ionization of a 1s electron by either photons or electrons is important for X-ray photoionized objects such as active galactic nuclei and electron-ionized sources such as supernova remnants. Modeling and interpreting observations of such objects requires accurate predictions for the charge state distribution (CSD), which results as the 1s-hole system stabilizes. Due to the complexity of the complete stabilization process, few modern calculations exist and the community currently relies on 40-year-old atomic data. Here, we present a combined experimental and theoretical study for inner-shell photoionization of neutral atomic nitrogen for photon energies of 403-475 eV. Results are reported for the total ion yield cross section, for the branching ratios for formation of N+, {{{N}}}2+, and {{{N}}}3+, and for the average charge state. We find significant differences when comparing to the data currently available to the astrophysics community. For example, while the branching ratio to {{{N}}}2+ is somewhat reduced, that for N+ is greatly increased, and that to {{{N}}}3+, which was predicted to be zero, grows to ≈ 10% at the higher photon energies studied. This work demonstrates some of the shortcomings in the theoretical CSD data base for inner-shell ionization and points the way for the improvements needed to more reliably model the role of inner-shell ionization of cosmic plasmas.

  11. The role of fullerene shell upon stuffed atom polarization potential

    Science.gov (United States)

    Amusia, Miron; Chernysheva, Larissa

    2016-05-01

    We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as corresponding cross-sections. We illustrate the general trend by concrete examples of electron scattering upon endohedrals that are formed when Ne and Ar atom are stuffed inside fullerene C60. To obtain the presented results, we have suggested a simplified approach that permits to incorporate the effect of fullerenes polarizability into the endohedrals polarization potential. By applying this approach, we obtained numeric results that show strong variations in shape and magnitudes of scattering phases and cross-sections due to effect of fullerene polarization upon the endohedral polarization potential. Using concrete examples we have demonstrated that the elastic scattering of electrons upon endohedrals is an entirely quantum mechanical process, where addition of even a single atom can qualitatively alter the multi-particle cross-section.

  12. Multiphoton inner-shell ionization of the carbon atom

    OpenAIRE

    Rey, H. F.; Hart, H W

    2015-01-01

    We apply time-dependent R-matrix theory to study inner-shell ionization of C atoms in ultra-short high-frequency light fields with a photon energy between 170 and 245 eV. At an intensity of 1017 W/cm2, ionization is dominated by single-photon emission of a 2l electron, with two-photon emission of a 1s electron accounting for about 2-3% of all emission processes, and two-photon emission of 2l contributing about 0.5-1%. Three-photon emission of a 1s electron is estimated to contribute about 0.0...

  13. Scattering of low-energy neutrinos on atomic shells

    International Nuclear Information System (INIS)

    We present a derivation of the total cross section for inelastic scattering of low-energy solar neutrinos and reactor antineutrinos on bound electrons, resulting in a transition of the electron to an excited state. The atomic-shell structure of various chemical elements is treated in terms of a nonrelativistic approximation. We estimate the interaction rates for modern neutrino detectors, in particular the Borexino and GEMMA experiments. We establish that in these experiments the effect can be safely neglected, but it could be accessible to future large-volume neutrino detectors with low energy threshold

  14. Time delay in valence shell photoionization of noble gas atoms

    CERN Document Server

    Kheifets, A S

    2013-01-01

    We use the non-relativistic random phase approximation with exchange to perform calculations of valence shell photoionization of Ne, Ar, Kr and Xe from their respective thresholds to photon energy of 200 eV. The energy derivative of the complex phase of the photoionization matrix elements is converted to the photoelectron group delay that can be measured in attosecond streaking or two-photon transitions interference experiments. Comparison with reported time delay measurements in Ne and Ar at a few selected photon energies is made. Systematic mapping of time delay across a wide range of photon energies in several atomic targets allows to highlight important aspects of fundamental atomic physics that can be probed by attosecond time delay measurements.

  15. Simultaneous K plus L shell ionized atoms during heavy-ion collision process

    Indian Academy of Sciences (India)

    G A V Ramana Murty; G J Naga Raju; V Vijayan; T Ranjan Rautray; B Seetharami Reddy; S Lakshminarayana; K L Narasimham; S Bhuloka Reddy

    2004-06-01

    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 atomic number of the targets atoms.

  16. Multiphoton inner-shell ionization of the carbon atom

    CERN Document Server

    Rey, H F

    2015-01-01

    We apply time-dependent R-matrix theory to study inner-shell ionization of C atoms in ultra-short high-frequency light fields with a photon energy between 170 and 245 eV. At an intensity of 10$^{17}$ W/cm$^2$, ionization is dominated by single-photon emission of a $2\\ell$ electron, with two-photon emission of a 1s electron accounting for about 2-3\\% of all emission processes, and two-photon emission of $2\\ell$ contributing about 0.5-1\\%. Three-photon emission of a 1s electron is estimated to contribute about 0.01-0.03\\%. Around a photon energy of 225 eV, two-photon emission of a 1s electron, leaving C$^+$ in either 1s2s2p$^3$ or 1s2p$^4$ is resonantly enhanced by intermediate 1s2s$^2$2p$^3$ states. The results demonstrate the capability of time-dependent R-matrix theory to describe inner-shell ionization processes including rearrangement of the outer electrons.

  17. The role of fullerene shell upon stuffed atom polarization potential

    CERN Document Server

    Amusia, M Ya

    2015-01-01

    We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as corresponding cross-sections. We illustrate the general trend by concrete examples of electron scattering by endohedrals of Neon and Argon. To obtain the presented results, we have suggested a simplified approach that permits to incorporate the effect of fullerenes polarizability into the Neon and Argon endohedrals polarization potential. As a result, we obtained numeric results that show strong variations in shape and magnitudes of scattering phases and cross-sections due to effect of fullerene polarization upon the endohedral polarization potential.

  18. Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium–copper nanoalloys

    International Nuclear Information System (INIS)

    Melting of nanoalloys originates from the alloy surface and gradually propagates into the interior region. The thermal stability of Li cores and Cu shells nanoalloy with size of 3.5 nm is studied through molecular dynamics and embedded atom method with the use of potential energy, Lindemann index, and radial distribution function. Results show that the shell and core Li atoms are melted in two steps: first, some Li atoms in the core migrate to the nanoalloy surface and maintain a typical solid state despite that the system temperature is higher than the bulk melting point of Li because of Li solidification in the solid–liquid interface; second, the shell and core Li atoms are simultaneously melted at high temperatures. A comparative study of Li@Cu nanoalloys with different Li atomic numbers shows that thermal stability is enhanced with the decreasing number of Li atoms within the nanoalloys because of weak binding for Cu thin shells

  19. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

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

  20. Notes from the Nordic Spring Symposium on atomic inner shell phenomena

    International Nuclear Information System (INIS)

    The purpose of the symposium was to bring together scientists from those various fields of physics that involve atomic inner shell processes. Vol. 2 contains the submitted complete lecture notes in chronological order. (JIW)

  1. Nuclear shell energies and deformations in atomic mass formula

    International Nuclear Information System (INIS)

    Our group has for several years been studying a method of calculating nuclear shell energies and incorporating them into a mass formula. This method is characterized by the calculation of single-particle levels in an extended spherical Woods-Saxon potential, the extraction of crude shell energy, the refinement of crude shell energy due to residual interactions, and the incorporation into a mass formula. Here, we report the advance of this work focusing especially on nuclear deformations, and give some preliminary results and remarks. (author)

  2. Four shells atomic model to computer the counting efficiency of electron-capture nuclides

    International Nuclear Information System (INIS)

    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

  3. Electron-pair shell density approximation applied to inner and outer electron radii of atoms

    International Nuclear Information System (INIS)

    The shell density approximation to the electron-pair radial density of atoms is applied to the inner 〈r〉 and outer 〈r>〉 electron radii, which are two components of the familiar average electron radius 〈r〉. The inner and outer radii with two-electron nature are found to be expressed by simple weighted sums of single-electron shell radii, where the weight factors are related to the numbers of shell electrons. A numerical examination of the 53 atoms He through Xe shows that the average relative errors of the approximation are only 3.5% and 1.1% for the inner and outer electron radii, respectively. Lower and upper bounds to 〈r〉 and 〈r>〉 are discussed. The present results also bound the electron-pair relative distance and centre-of-mass radius in terms of the single-electron shell radii. (paper)

  4. Binding energy correction for atomic L-shell ionization by heavy charged particles

    International Nuclear Information System (INIS)

    During the process of inner shell ionization of atoms by low-velocity heavy charged particles the effective binding energy of the target electron is changed due to the presence of the incoming projectile. In the present work the binding energy corrections for the ionization of 2s and 2p sub-shells of the target atom have been calculated by employing approximate expressions for L-shell ionization based on a semi-classical approximation (SCA). The binding energy correction thus obtained has been incorporated in the classical binary encounter theory of ionization to calculate the L-shell ionization cross section of argon by the impact of low energy (50-200keV) protons. The results are compared with the available experimental data. (Auth.)

  5. Atomic mass prediction from the mass formula with empirical shell terms

    International Nuclear Information System (INIS)

    The mass-excess prediction of about 8000 nuclides was calculated from two types of the atomic mass formulas with empirical shell terms of Uno and Yamada. The theoretical errors to accompany the calculated mass excess are also presented. These errors have been obtained by a new statistical method. The mass-excess prediction includes the term of the gross feature of a nuclear mass surface, the shell terms and a small correction term for odd-odd nuclei. Two functional forms for the shell terms were used. The first is the constant form, and the sencond is the linear form. In determining the values of shell parameters, only the data of even-even and odd-A nuclei were used. A new statistical method was applied, in which the error inherent to the mass formula was taken account. The obtained shell parameters and the values of mass excess are shown in tables. (Kato, T.)

  6. The Casimir-Polder interaction an atom with spherical shell

    OpenAIRE

    Khusnutdinov, Nail

    2014-01-01

    The Casimir-Polder and van der Waals interaction energy of an atom with infinitely thin sphere with finite conductivity is investigated in the framework of the hydrodynamic approach. We put the sphere into spherical cavity inside the infinite dielectric media, then calculate the energy of vacuum fluctuations in the context of the zeta-function approach. The energy for a single atom is obtained by rarefying media. The Casimir-Polder expression for an atom and plate is recovered in the limit of...

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

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas

    2014-01-01

    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...

  8. Improved atomic shell excitation and relaxation in the TIGER series codes

    International Nuclear Information System (INIS)

    A new version of the TIGER Monte Carlo electron/photon transport code that more accurately models the transport for problems where atomic-shell effects are important is documented. The new model includes both electron impact ionization and photoionization of the K, L1, L2, L3, M (average) and N (average) shells, as well as a description of the subsequent atomic relaxation cascade. The relevant physical theories are essentially equivalent to those currently being employed in the SANDYL code. Because these modifications are only incidentally affected by the problem geometry, they can easily be extended to other codes in the TIGER series

  9. K-shell ionization of atoms and ions by relativistic projectiles

    International Nuclear Information System (INIS)

    We evaluate the total cross section for the single K-shell ionization of atoms and ions by the impact of relativistic electrons. The study is performed to leading orders of the QED perturbation theory with respect to the parameters αZ and 1/Z. The results obtained are in good agreement with experimental data for different atomic targets. In the case of moderate values of the nuclear charge Z, the total cross section is described by a simple analytic formula. The K-shell ionization by relativistic heavy particles is also considered.

  10. Generalized oscillator strengths for some higher valence-shell excitations of krypton atom

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The valence-shell excitations of krypton atom have been investigated by fast electron impact with an angle-resolved electron-energy-loss spectrometer. The generalized oscillator strengths for some higher mixed valence-shell excitations in 4d, 4f, 5p, 5d, 6s, 6p, 7s ← 4p of krypton atom have been determined. Their profiles are discussed, and the generalized oscillator strengths for the electric monopole and quadrupole excitations in 5p ← 4p are compared with the calculations of Amusia et al. (Phys. Rev. A 67 022703 (2003)). The differences between the experimental results and theoretical calculations show that more studies are needed.

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

    International Nuclear Information System (INIS)

    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. (paper)

  12. van der Waals coefficients for positronium interactions with closed-shell atoms

    CERN Document Server

    Swann, A R; Gribakin, G F

    2015-01-01

    The random-phase approximation with exchange (RPAE) is used with a $B$-spline basis to compute dynamic dipole polarizabilities of noble-gas atoms and several other closed-shell atoms (Be, Mg, Ca, Zn, Sr and Cd). From these, values of the van der Waals $C_6$ constants for positronium interactions with these atoms are determined and compared with existing data. Our best predictions of $C_6$ for Ps--noble-gas pairs are expected to be accurate to within 1%, and to within few per cent for the alkaline earths. Implications of increased $C_6$ values for more polarizable atoms are discussed.

  13. Interference effect in the relativistic inner shell ionization of atoms by electron impact

    International Nuclear Information System (INIS)

    We present in this paper, the results of our calculation of right-left asymmetry in the relativistic (e, 2e) processes for inner K-shell ionization of atoms. The calculation has been performed in plane wave Born approximation (PWBA) using one photon exchange approximation. The triple differential cross section (TDCS), in plane wave Born approximation (PWBA) can be factorized into products of electron kinematic factors and atomic structure functions [Donnely (1984)]. The right left asymmetry in the relativistic (e, 2e) process on the K-shell of the atoms has been shown to depend on the interference between the transition charge and component of the transition current in the scattering plane. Further, we discuss the dependence of right-left asymmetry on the incident electron energy, atomic number of the target and scattering angle. (author)

  14. Cross sections for K- and L-shell excitation in energetic ion-atom collisions

    International Nuclear Information System (INIS)

    Absolute K- and L-shell vacancy production cross sections have been determined from Auger-electron measurements in various heavy-ion-atom collisions. Collision systems with atomic numbers Z between 5 and 18 and with projectile energies varied between 6 and 600 keV were investigated. From cross section plots for some exemplary collision systems general trends are indicated and discussed in terms of the molecular-orbital (MO) model. Cross section ratios are deduced and compared to theoretical predictions

  15. X-ray emission from heavy atomic collisions : couplings of inner shells in superheavy quasimolecules

    OpenAIRE

    Verma, Punita

    2010-01-01

    Overcritical electromagnetic fields with a coupling strength of ZUA greater than or equal to 1/alpha (=137, with alpha being the fine structure constant) can be experienced in superheavy quasimolecules (atomic number ZUA = Z1+Z2) formed transiently in close collisions of two very heavy atomic partners (Z1, Z2) at velocities (vion) smaller compared to the orbital velocity of the innermost electrons of concern (ve-). The inner shell processes in these collisions are governed approximately by th...

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

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder

    1987-01-01

    display and analyze the function for the closed-shell atoms helium, beryllium, neon, argon, and zinc in the Hartree-Fock approximation. The quantum-mechanical exact results are compared with those obtained with the approximate Thomas-Fermi description of electron densities in phase space.......We present formulas for reduced Wigner phase-space functions for atoms, with an emphasis on the first-order spinless Wigner function. This function can be written as the sum of separate contributions from single orbitals (the natural orbitals). This allows a detailed study of the function. Here we...

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

    CERN Document Server

    Ballance, Connor P

    2015-01-01

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

  18. Anomalous elastic scattering of x-ray photon by an atom with an open shell

    International Nuclear Information System (INIS)

    In the non-relativistic approximation for the wavefunctions of the one-electron states and in the dipole approximation for the scattering amplitude the effect of relaxation of atomic shells in the field of core vacancies, multiplet splitting, Auger and radiative vacancy decays and virtual processes of one-photon double excitation/ionization from the atomic ground state on the differential cross section of anomalous elastic scattering of the linearly polarized x-ray photon by the copper atom near its 1s-shell ionization threshold are studied. The results of calculations are found to be in agreement with the high-precision synchrotron radiation experiment by Arp et al (1993 J. Phys. B: At. Mol. Opt. Phys. 26 4381)

  19. Anomalous elastic scattering of x-ray photon by an atom with an open shell

    Energy Technology Data Exchange (ETDEWEB)

    Hopersky, A N; Petrov, I D; Nadolinsky, A M; Yavna, V A; Koneev, R V [Rostov State University of Transport Communication, Chair of Mathematics, Rostov-on-Don, 344038 (Russian Federation)

    2004-08-28

    In the non-relativistic approximation for the wavefunctions of the one-electron states and in the dipole approximation for the scattering amplitude the effect of relaxation of atomic shells in the field of core vacancies, multiplet splitting, Auger and radiative vacancy decays and virtual processes of one-photon double excitation/ionization from the atomic ground state on the differential cross section of anomalous elastic scattering of the linearly polarized x-ray photon by the copper atom near its 1s-shell ionization threshold are studied. The results of calculations are found to be in agreement with the high-precision synchrotron radiation experiment by Arp et al (1993 J. Phys. B: At. Mol. Opt. Phys. 26 4381)

  20. Calculation of Ion Charge State Distributions After Inner-Shell Ionization in Xe Atom

    International Nuclear Information System (INIS)

    The vacancy cascades following initial inner-shell vacancies in single and multi-ionized atoms often lead to highly charged residual ions. The inner-shell vacancy produced by ionization processes may decay by either a radiative or non-radiative transition. In addition to the vacancy filling processes, there is an electron shake off process due to the change of core potential of the atom. In the calculation of vacancy cascades, the radiative (x-ray) and non-radiative (Auger and Coster-Kronig) branching ratios give valuable information on the de-excitation dynamics of an atom with inner-shell vacancy. The production of multi-charged ions yield by the Auger cascades following inner shell ionization of an atom has been studied both experimentally and theoretically. Multi-charged Xe ions following de-excitation of K-, L1-, L2,3-, M1-, M2,3- and M4,5 subshell vacancies are calculated using Monte-Carlo algorithm to simulate the vacancy cascade development. Fluorescence yield (radiative) and Auger, Coster- Kronig yield (non- radiative) are evaluated. The decay of K hole state through radiative transitions is found to be more probable than non-radiative transitions in the first step of de-excitation. On the other hand, the decay of L, M vacancies through non-radiative transitions are more probable. The K shell ionization in Xe atom mainly yields Xe7+, Xe8+, Xe9+ and Xe10+ ions, and the charged X8+ ions are the highest. The main product from the L1- shell ionization is found to be Xe8+, Xe9+ ions, while the charged Xe8+ ions predominate at L2,3 hole states. The charged Xe6+, Xe7+ and Xe8+ ions mainly yield from 3s1/2 and 3p1/2,3/2 ionization, while Xe in 3d3/2,5/2 hole states mainly turns into Xe4+ and Xe5+ ions. The present results are found to agree well with the experimental data.

  1. Calculation of Ion Charge State Distributions After Inner-Shell Ionization in Xe Atom

    International Nuclear Information System (INIS)

    The vacancy cascades following initial inner-shell vacancies in single and multi-ionized atoms often lead to highly charged residual ions. The inner-shell vacancy produced by ionization processes may decay by either a radiative or non-radiative transition. In addition to the vacancy filling processes, there is an electron shake off process due to the change of core potential of the atom. In the calculation of vacancy cascades, the radiative (x-ray) and non-radiative (Auger and Coster-Kronig) branching ratios give valuable information on the de-excitation dynamics of an atom with inner-shell vacancy. The production of multi-charged ions yield by the Auger cascades following inner shell ionization of an atom has been studied both experimentally and theoretically. Multi-charged Xe ions following de-excitation of K, L1, L2,3, M1, M2,3 and M4,5 subshell vacancies are calculated using Monte-Carlo algorithm to simulate the vacancy cascade development. Fluorescence yield (radiative) and Auger, Coster- Kronig yield (non- radiative) are evaluated. The decay of K hole state through radiative transitions is found to be more probable than non-radiative transitions in the first step of de-excitation. On the other hand, the decay of L, M vacancies through non-radiative transitions are more probable. The K shell ionization in Xe atom mainly yields Xe7+, Xe8+, Xe9+ and Xe10+ ions, and the charged X8+ ions are the highest. The main product from the L1 shell ionization is found to be Xe8+, Xe9+ ions, while the charged Xe8+ ions predominate at L2,3 hole states. The charged Xe6+, Xe7+ and Xe8+ ions mainly yield from 3s1/2 and 3p1/2,3/2 ionization, while Xe in 3d3/2,5/2 hole states mainly turns into Xe4+ and Xe5+ ions. The present results are found to agree well with the experimental data. (author)

  2. Discovery of a Shell of Neutral Atomic Hydrogen Surrounding the Carbon Star IRC+10216

    CERN Document Server

    Matthews, L D; Bertre, T Le

    2015-01-01

    We have used the Robert C. Byrd Green Bank Telescope to perform the most sensitive search to date for neutral atomic hydrogen (HI) in the circumstellar envelope (CSE) of the carbon star IRC+10216. Our observations have uncovered a low surface brightness HI shell of diameter ~1300" (~0.8 pc), centered on IRC+10216. The HI shell has an angular extent comparable to the far ultraviolet-emitting astrosphere of IRC+10216 previously detected with the GALEX satellite, and its kinematics are consistent with circumstellar matter that has been decelerated by the local interstellar medium. The shell appears to completely surround the star, but the highest HI column densities are measured along the leading edge of the shell, near the location of a previously identified bow shock. We estimate a total mass of atomic hydrogen associated with IRC+10216 CSE of M_HI~3x10e-3 M_sun. This is only a small fraction of the expected total mass of the CSE (<1%) and is consistent with the bulk of the stellar wind originating in molec...

  3. An extended empirical model for L- and M-shell ionizations of atoms

    CERN Document Server

    Talukder, M R

    2011-01-01

    An extension of the analytical model of Talukder et al (Int. J. Mass Spectrom. 269 (2008) 118) is proposed to estimate electron impact single L- and M-shell ionization cross sections of atoms with incident energy from threshold to ultra-relativistic range. Comparisons are made with other theoretical calculations. It is found that this model agrees well with the experimental data and quantum calculations.

  4. Symmetry chains for atomic shell model III. Symmetry chains conserving total orbital angular momentum

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, M.S. (Royal Military Coll. of Canada, Kingston, Ontario); Gruber, B. (Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany, F.R.). Inst. fuer Theoretische Physik)

    1982-01-01

    In this article symmetry chains for the atomic shell model are investigated which lead from the group SO(8l+-5) to the subgroup SOsub(L)(3). The tail group SOsub(L)(3) corresponds to total orbital angular momentum. Along these chains total orbital angular momentum L is a good quantum number, but not total spin S. Total orbital angular momentum can be considered as being made up of four quasi angular momenta.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-03-01

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

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

    CERN Document Server

    Novikov, S A

    2002-01-01

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

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

    International Nuclear Information System (INIS)

    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.

  8. Core-Shell Magneto-Optical Trap for Alkaline-Earth-Metal-Like Atoms

    CERN Document Server

    Lee, Jeongwon; Noh, Jiho; Mun, Jongchul

    2014-01-01

    We propose and demonstrate a new magneto-optical trap (MOT) for alkaline-earth-metal-like (AEML) atoms where the narrow $^{1}S_{0}\\rightarrow$$^{3}P_{1}$ transition and the broad $^{1}S_{0}\\rightarrow$$^{1}P_{1}$ transition are spatially arranged into a core-shell configuration. Our scheme resolves the main limitations of previously adopted MOT schemes, leading to a significant increase in both the loading rate and the steady state atom number. We apply this scheme to $^{174}$Yb MOT, where we show about a hundred-fold improvement in the loading rate and ten-fold improvement in the steady state atom number compared to reported cases that we know of to date. This technique could be readily extended to other AEML atoms to increase the statistical sensitivity of many different types of precision experiments.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-04-15

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

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

    International Nuclear Information System (INIS)

    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. (authors)

  11. Investigation of the structure change of atomic shells due to uranium ionization by the Dirac-Fock-Slater method

    International Nuclear Information System (INIS)

    The influence of outer vacancies in the atomic shells of uranium on the atomic shell structure is claculated by the Dirac-Fock-Slater method. It is found out that the energy of the X-ray transitions increases due to the detachment of the electrons with the lowest binding energies. The electron detachment from the subshells of the 4f level gives rise to negative energy shifts of the X-ray transitions.(author)

  12. Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell.

    Science.gov (United States)

    Boisdenghien, Zino; Fias, Stijn; Van Alsenoy, Christian; De Proft, Frank; Geerlings, Paul

    2014-07-28

    Most of the work done on the linear response kernel χ(r,r') has focussed on its atom-atom condensed form χAB. Our previous work [Boisdenghien et al., J. Chem. Theory Comput., 2013, 9, 1007] was the first effort to truly focus on the non-condensed form of this function for closed (sub)shell atoms in a systematic fashion. In this work, we extend our method to the open shell case. To simplify the plotting of our results, we average our results to a symmetrical quantity χ(r,r'). This allows us to plot the linear response kernel for all elements up to and including argon and to investigate the periodicity throughout the first three rows in the periodic table and in the different representations of χ(r,r'). Within the context of Spin Polarized Conceptual Density Functional Theory, the first two-dimensional plots of spin polarized linear response functions are presented and commented on for some selected cases on the basis of the atomic ground state electronic configurations. Using the relation between the linear response kernel and the polarizability we compare the values of the polarizability tensor calculated using our method to high-level values. PMID:24837234

  13. Semiempirical Sternheimer shielding factors for the atomic 4f and 5d shells

    International Nuclear Information System (INIS)

    In a recent Physical Review Letter, workers at Los Alamos reported new electric-quadrupole moment values for selected nuclei through study of hfs in the X-ray spectra of muonic atoms. On combining these true moment values with the apparent values previously deduced for the same nuclei from many-electron hfs studies, the authors evaluated Sternheimer shielding factors for several electron shells in various atoms. They were struck by the unreasonably large scatter in the resulting shielding factors. After some study, the authors concluded that the scatter arose from (1) questionable assumptions and procedures used earlier in analyzing the many-electron hfs, and (2) the diversity of methods used in evaluating quadrupole radial hfs integrals. Limiting themselves to the atomic 4f and 5d shells, they made a study of all atoms for which (a) a true quadrupole moment value (i.e. one determined either by muonic hfs or Coulomb excitation) was known and (b) the many-electron hfs had been studied

  14. On the angular distribution and spin polarization of the photoelectrons from semi-filled shell atoms

    CERN Document Server

    Amusia, M Ya

    2007-01-01

    We present here the results of calculations of photoelectrons' angular anisotropy and spin-polarization parameters for a number of semi-filled shell atoms. We consider ionization of outer or in some cases next to the outer electrons in a number of elements from I, V, and VI groups of the Periodic Table. All calculations are performed with account of multi-electron correlations in the frame of the Spin Polarized version of the Random Phase Approximation with Exchange - SP RPAE. We consider the dipole angular distribution and spin polarization of photoelectrons from semi-filled subshells and from closed shells that are neighbors to the semi-filled shells. We have considered also angular anisotropy and spin-polarization of photoelectrons from some excited atoms that are formed by spin-flip of one of the outer electrons. To check the accuracy and consistency of the applied SP RPAE approach and to see the role of the nuclear charge variation only, we have calculated the dipole angular anisotropy and spin-polarizat...

  15. Determination of the K shell oscillator strengths and the imaginary form factors of atoms using a weak beta source

    Energy Technology Data Exchange (ETDEWEB)

    Hosur, Savita B; Badiger, N M; Naik, L R [Department of Physics, Karnatak University, Dharwad-580 003 (India)], E-mail: nagappa123@yahoo.co.in

    2008-05-14

    The K shell oscillator strengths and the imaginary form factors of Gd, Hf and Ta atoms have been determined using a novel method. In this method, bremsstrahlung photons produced by beta particles from a weak beta source of {sup 90}Sr-{sup 90}Y in a nickel foil are incident on an elemental target and the transmitted spectrum of photons emerging from the target is measured using an ORTEC make HPGe detector coupled to 8 K multichannel analyser. The recorded spectrum shows a sudden drop at the K shell binding energy of the target atom and an exponential decrease in the intensity above the K shell binding energy. These portions have been used to determine the K shell binding energy, photoelectric cross-section at the K edge, the K shell oscillator strength and the imaginary form factor of the elements Gd, Hf and Ta. Good agreement between the experimental and the theoretical values is observed.

  16. Determination of the K shell oscillator strengths and the imaginary form factors of atoms using a weak beta source

    International Nuclear Information System (INIS)

    The K shell oscillator strengths and the imaginary form factors of Gd, Hf and Ta atoms have been determined using a novel method. In this method, bremsstrahlung photons produced by beta particles from a weak beta source of 90Sr-90Y in a nickel foil are incident on an elemental target and the transmitted spectrum of photons emerging from the target is measured using an ORTEC make HPGe detector coupled to 8 K multichannel analyser. The recorded spectrum shows a sudden drop at the K shell binding energy of the target atom and an exponential decrease in the intensity above the K shell binding energy. These portions have been used to determine the K shell binding energy, photoelectric cross-section at the K edge, the K shell oscillator strength and the imaginary form factor of the elements Gd, Hf and Ta. Good agreement between the experimental and the theoretical values is observed

  17. ESR Dosimetry for Atomic Bomb Survivors Using Shell Buttons and Tooth Enamel

    Science.gov (United States)

    Ikeya, Motoji; Miyajima, Junko; Okajima, Shunzo

    1984-09-01

    Atomic bomb radiation doses to humans at Nagasaki and Hiroshima are investigated by electron spin resonance (ESR) from shell buttons and tooth enamel voluntarily supplied by survivors. A shell button gives a dose of 2.1± 0.2 Gy with ESR signals at g=2.001 and g=1.997 while the signal at g=1.997 for the tooth enamel of the same person is 1.9± 0.5 Gy. Other teeth show doses from about 0.5 Gy to 3 Gy. An apparent shielding converted to a concrete thickness is given using the T65D calculated in 1965. Teeth extracted during dental treatment should be preserved for cumulative radiation dosimetry.

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

    CERN Document Server

    Yerokhin, V A; Fritzsche, S

    2014-01-01

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

  19. Prospects for ultracold polar and magnetic chromium-closed-shell-atom molecules

    CERN Document Server

    Tomza, Michał

    2013-01-01

    The properties of the electronic ground state of the polar and paramagnetic chromium--closed-shell-atom molecules have been investigated. State-of-the-art \\textit{ab initio} techniques have been applied to compute the potential energy curves for the chromium--alkaline-earth-metal-atom, CrX (X = Be, Mg, Ca, Sr, Ba), and chromium--ytterbium, CrYb, molecules in the Born-Oppenheimer approximation for the $X^7\\Sigma^+$ high-spin electronic ground state. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), was employed and the scalar relativistic effects within Douglas-Kroll-Hess Hamiltonian or energy-consistent pseudopotentials were included. The permanent electric dipole moments and static electric dipole polarizabilities were computed. The leading long-range coefficients describing the dispersion interaction between atoms at large interatomic distances, $C_6$, are also reported. Molecules under investigation are an example of species p...

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

    Science.gov (United States)

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

    2009-11-01

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

  1. Inner-shell photoemission from atoms and molecules using synchrotron radiation

    International Nuclear Information System (INIS)

    Photoelectron spectroscopy, in conjunction with synchrotron radiation, has been used to study inner-shell photoemission from atoms and molecules. The time structure of the synchrotron radiation permits the measurements of time-of-flight (TOF) spectra of Auger and photoelectrons, thereby increasing the electron collection efficiency. The double-angle TOF method yielded angle-resolved photoelectron intensities, which were used to determine photoionization cross sections and photoelectron angular distributions in several cases. Comparison to theoretical calculations has been made where possible to help explain observed phenomena in terms of the electronic structure and photoionization dynamics of the systems studied. 154 references, 23 figures, 7 tables

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

    DEFF Research Database (Denmark)

    Engelbrekt, Christian; Seselj, Nedjeljko; Poreddy, Raju;

    2016-01-01

    We present a facile synthesis protocol for atomically thin platinum (Pt) shells on top of gold (Au) nanoparticles (NPs) (Au@PtNPs) in one pot under mild conditions. The Au@PtNPs exhibited remarkable stability (> 2 years) at room temperature. The synthesis, bimetallic nanostructures and catalytic...... 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 < 5 nm PtNP catalyst. Excellent...

  3. Atomically thin spherical shell-shaped superscatterers based on Bohr model

    CERN Document Server

    Li, Rujiang; Lin, Shisheng; Liu, Xu; Chen, Hongsheng

    2015-01-01

    Graphene monolayers can be used for atomically thin three-dimensional shell-shaped superscatterer designs. Due to the excitation of the first-order resonance of transverse magnetic (TM) graphene plasmons, the scattering cross section of the bare subwavelength dielectric particle is enhanced significantly by five orders of magnitude. The superscattering phenomenon can be intuitively understood and interpreted with Bohr model. Besides, based on the analysis of Bohr model, it is shown that contrary to the TM case, superscattering is hard to occur by exciting the resonance of transverse electric (TE) graphene plasmons due to their poor field confinements.

  4. Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms.

    Science.gov (United States)

    Pederson, Mark R

    2015-02-14

    A recent modification of the Perdew-Zunger self-interaction-correction to the density-functional formalism has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Löwdin orthonormalized Fermi-orbitals which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested, here, on atoms. Total energies and ionization energies in closed-shell singlet atoms, where correlation is less important, using the Perdew-Wang 1992 Local Density Approximation (PW92) functional, are in good agreement with experiment and non-relativistic quantum-Monte-Carlo results albeit slightly too low. PMID:25681892

  5. Fermi Orbital Derivatives in Self-Interaction Corrected Density Functional Theory: Applications to Closed Shell Atoms

    CERN Document Server

    Pederson, Mark R

    2014-01-01

    A recent modification of the Perdew-Zunger self-interaction-correction (SIC) to the density-functional formalism (Pederson, Ruzsinszky, Perdew) has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Lowdin orthonormalized Fermi-orbitals (Luken et al) which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested here on atoms. Total energies and ionization energies in closed-shell atoms, where correlation is less important, using the PW92 LDA functional are in very good to excellent agreement with experiment and non-relativistic Quantum-Monte-Carlo (QMC) results.

  6. Atomic force microscopy indentation to determine mechanical property for polystyrene–silica core–shell hybrid particles with controlled shell thickness

    International Nuclear Information System (INIS)

    The positively charged polystyrene (PS) particles with a size of ca. 200 nm were synthesized by soap-free polymerization. The PS cores were coated with silica shells of tunable thickness employing the modified Stöber method. The PS cores were removed by thermal decomposition at 500 °C, resulting in well-defined silica hollow spheres (10–30 nm in shell thickness). The elastic response of the as-synthesized samples was probed by an atomic force microscope (AFM). A point load was applied to the particle surface through a sharp AFM tip, and the force–displacement curves were recorded. Elastic moduli (E) for the PS particles (2.01 ± 0.70 GPa) and the core–shell structured hybrid particles were determined on the basis of Hertzian contact model. The calculated E values of composites exhibited a linear dependence on the silica shell thickness. While the shell thickness increased from ca. 10 to 15 and 20 nm, the E values of composites increased from 4.42 ± 0.27 to 5.88 ± 0.48 and 9.07 ± 0.94 GPa. For core–shell structured organic/inorganic composites, the E values of the hybrid particles were much lower than those of inorganic shells, while these values were much close to those of organic cores. Moreover, the moduli of elasticity of the composites appeared to be determined by the properties of the polymer cores, the species of inorganic shells and the thickness of shells. Besides, the inorganic shells enhanced the mechanical properties of the polymer cores. This work will provide essential experimental and theoretical basis for the design and application of core–shell structured organic/inorganic composite abrasives in chemical mechanical polishing/planarization. - Highlights: • The elastic moduli (E) of the PS/SiO2 hybrid particles were probed by AFM. • The E values of composites exhibited a linear dependence on the shell thickness. • The elasticity appeared to be determined by the properties of the organic cores. • The E values were affected by the

  7. Atomic force microscopy indentation to determine mechanical property for polystyrene–silica core–shell hybrid particles with controlled shell thickness

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yang, E-mail: cy.jpu@126.com [School of Materials Science and Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Qian, Cheng [School of Materials Science and Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Miao, Naiming [School of Mechanical Engineering, Changzhou University, Changzhou, Jiangsu 213016 (China)

    2015-03-31

    The positively charged polystyrene (PS) particles with a size of ca. 200 nm were synthesized by soap-free polymerization. The PS cores were coated with silica shells of tunable thickness employing the modified Stöber method. The PS cores were removed by thermal decomposition at 500 °C, resulting in well-defined silica hollow spheres (10–30 nm in shell thickness). The elastic response of the as-synthesized samples was probed by an atomic force microscope (AFM). A point load was applied to the particle surface through a sharp AFM tip, and the force–displacement curves were recorded. Elastic moduli (E) for the PS particles (2.01 ± 0.70 GPa) and the core–shell structured hybrid particles were determined on the basis of Hertzian contact model. The calculated E values of composites exhibited a linear dependence on the silica shell thickness. While the shell thickness increased from ca. 10 to 15 and 20 nm, the E values of composites increased from 4.42 ± 0.27 to 5.88 ± 0.48 and 9.07 ± 0.94 GPa. For core–shell structured organic/inorganic composites, the E values of the hybrid particles were much lower than those of inorganic shells, while these values were much close to those of organic cores. Moreover, the moduli of elasticity of the composites appeared to be determined by the properties of the polymer cores, the species of inorganic shells and the thickness of shells. Besides, the inorganic shells enhanced the mechanical properties of the polymer cores. This work will provide essential experimental and theoretical basis for the design and application of core–shell structured organic/inorganic composite abrasives in chemical mechanical polishing/planarization. - Highlights: • The elastic moduli (E) of the PS/SiO{sub 2} hybrid particles were probed by AFM. • The E values of composites exhibited a linear dependence on the shell thickness. • The elasticity appeared to be determined by the properties of the organic cores. • The E values were affected

  8. Approximate symmetries in atomic nuclei from a large-scale shell-model perspective

    International Nuclear Information System (INIS)

    In this paper, we review recent developments that aim to achieve further understanding of the structure of atomic nuclei, by capitalizing on exact symmetries as well as approximate symmetries found to dominate low-lying nuclear states. The findings confirm the essential role played by the Sp(3, ℝ) symplectic symmetry to inform the interaction and the relevant model spaces in nuclear modeling. The significance of the Sp(3, ℝ) symmetry for a description of a quantum system of strongly interacting particles naturally emerges from the physical relevance of its generators, which directly relate to particle momentum and position coordinates, and represent important observables, such as, the many-particle kinetic energy, the monopole operator, the quadrupole moment and the angular momentum. We show that it is imperative that shell-model spaces be expanded well beyond the current limits to accommodate particle excitations that appear critical to enhanced collectivity in heavier systems and to highly-deformed spatial structures, exemplified by the second 0+ state in 12C (the challenging Hoyle state) and 8Be. While such states are presently inaccessible by large-scale no-core shell models, symmetry-based considerations are found to be essential. (author)

  9. Relativistic Equation of Motion Coupled-Cluster Method: Application to the closed-shell atomic systems

    CERN Document Server

    Pathak, Himadri; Das, B P; Vaval, Nayana; Pal, Sourav

    2014-01-01

    We report our successful implementation of the full fledged relativistic equation of motion coupled cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare gas atoms, He-like ions, Be-like ions along with Na+, Al+, K+, Be, and Mg. Four component Dirac spinors are used in the calculations and the one and two electron integrals are evaluated using the Dirac Coulomb Hamiltonian. Our results are in excellent agreement with those available measurements, which are taken from the National Institute of Science and Technology database (NIST). We also present results using the second order many-body perturbation theory (MBPT(2)) and random phase approximation (RPA) in the EOMCC framework. These results are compared with those of EOMCC at the level of single and double excitations in order to assess the role of the electron correlation effects in the intermediate schemes considered in our calculations .

  10. Filling of double vacancy in the K atomic shell with emission of one single photon

    International Nuclear Information System (INIS)

    A method was developed to calculate the transition rate for two-electron one-photon K(sub αα) transition (2s 2p → 1s2). The method was tested for Ni with two K-shell vacancies in the initial state. The (sub αα) rate is calculated within the framework of a single system formed by the atom and the radiation. The transition is originated in the interactiion between the parts of that system. In the dipole approximation, the transition rate is obtained from the second order term of the time dependente perturbation theory. Hartree-Fock-Slater wave functions were used in the calculations for Ni. The results are compared with the available theoretical and experimental information. (Author)

  11. Models for L-shell filling of slow hollow atoms moving below a surface

    International Nuclear Information System (INIS)

    A multiple cascade model is used to analyze the filling of L- and K-vacancies of hollow Ne atoms moving in shallow layers of an Al (111) surface. The model requires cross sections for charge transfer into the L-shell of the projectile which were determined from molecular-orbital calculations based on solid-state energies and screening effects. The analysis includes mechanisms of Landau-Zener curve-crossing and Fano-Lichten promotion. Absorption and build-up effects within the solid were taken into account. The results from the cascade model show good agreement with the ratio of L- to K-Auger emission recently measured for Ne9+ incident on Al. (orig.)

  12. High Precision {\\it K}-Shell Photoabsorption Cross Sections for Atomic Oxygen: Experiment and Theory

    CERN Document Server

    McLaughlin, B M; Bowen, K P; Gardenghi, D J; Stolte, W C

    2013-01-01

    Photoabsorption of atomic oxygen in the energy region below the $\\rm 1s^{-1}$ threshold in x-ray spectroscopy from {\\it Chandra} and {\\it XMM-Newton} is observed in a variety of x-ray binary spectra. Photoabsorption cross sections determined from an R-matrix method with pseudo-states (RMPS) and new, high precision measurements from the Advanced Light Source (ALS) are presented. High-resolution spectroscopy with E/$\\Delta$E $\\approx$ 4,250 $\\pm$ 400 was obtained for photon energies from 520 eV to 555 eV at an energy resolution of 124 $\\pm$ 12 meV FWHM. {\\it K}-shell photoabsorption cross-section measurements were made with a re-analysis of previous experimental data on atomic oxygen at the ALS. Natural linewidths $\\Gamma$ are extracted for the $\\rm 1s^{-1}2s^22p^4 (^4P)np ^3P^{\\circ}$ and $\\rm 1s^{-1}2s^22p^4(^2P)np ~^3P^{\\circ}$ Rydberg resonances series and compared with theoretical predictions. Accurate cross sections and linewidths are obtained for applications in x-ray astronomy. Excellent agreement betwe...

  13. Discovery of K-Shell Emission Lines of Neutral Atoms in the Galactic Center Region

    CERN Document Server

    Nobukawa, Masayoshi; Tsuru, Takeshi Go; Ryu, Syukyo G; Tatischeff, Vincent

    2010-01-01

    The K-shell emission line of neutral irons from the Galactic center (GC) region is one of the key for the structure and activity of the GC. The origin is still open question, but possibly due either to X-ray radiation or to electron bombarding to neutral atoms. To address this issue, we analyzed the Suzaku X-ray spectrum from the GC region of intense neutral iron line emission, and report on the discovery of Kalpha lines of neutral argon, calcium, chrome, and manganese atoms. The equivalent widths of these Kalpha lines indicate that the metal abundances in the GC region should be ~1.6 and ~4 of solar value, depending on the X-ray and the electron origins, respectively. On the other hand, the metal abundances in the hot plasma in the GC region are found to be ~1-2 solar. These results favor that the origin of the neutral Kalpha lines are due to X-ray irradiation.

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

    KAUST Repository

    Nie, Anmin

    2012-01-01

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

  15. Quantum-Shell Corrections to the Finite-Temperature Thomas-Fermi-Dirac Statistical Model of the Atom

    Energy Technology Data Exchange (ETDEWEB)

    Ritchie, A B

    2003-07-22

    Quantum-shell corrections are made directly to the finite-temperature Thomas-Fermi-Dirac statistical model of the atom by a partition of the electronic density into bound and free components. The bound component is calculated using analytic basis functions whose parameters are chosen to minimize the energy. Poisson's equation is solved for the modified density, thereby avoiding the need to solve Schroedinger's equation for a self-consistent field. The shock Hugoniot is calculated for aluminum: shell effects characteristic of quantum self-consistent field models are fully captures by the present model.

  16. Systematic study of L shell ionization of heavry atoms by protons

    International Nuclear Information System (INIS)

    Cross sections for L-subshell ionization by proton impact have been determined for W, Au, Tl, Pb, Bi, Th and U over the projectile range 0.5-3.5 MeV. The measured X-ray production cross sections of the total L- Shell and of some well resolved lines or groups of lines are consistent with those obtained by different authors in the same regions of bombarding energies and atomic numbers. Ionization cross sections were obtained by using the above results and the experimental values for the relative radiative transition probabilities, fluorescente yelds and Coster-Kronig factors. Relative radiative decay rates were measured with a Si (Li) detection system. A graphical method was employed to analyze the X-ray spectra so obtained. The values of fluorescente and Coster-Kronig yields were taken from previously published experiments performed in this laboratory. The influence of these experimental data on the shape of cross section versus proton energy curves is discussed. Comparisons of the experimentally determined L-subshell ionization cross sections are made wuth calculations in the plane-wave Born approximation, semi-classical aproximation and binary encounter approximation. The large effect of binding-energy trajetory and relativistic corrections on the PWBA calculations, invalidates quantitative conclusions regarding agreement between experimental and theoretical values. Semi-classical arguments are presented, however, to explain some general aspects of the ionization cross section curves. (Author)

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

    International Nuclear Information System (INIS)

    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, SiO2 particles have been coated with TiO2 using tetrakis-dimethylamino titanium (TDMAT) and H2O 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 SiO2 particles were coated with a 1.6 nm homogenous shell of TiO2

  18. Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

    International Nuclear Information System (INIS)

    The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level

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

    Science.gov (United States)

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

    2016-02-10

    We present the first successful isolation and crystallographic characterization of a Mackay 55-metal-atom two-shell icosahedron, Pd55L12(μ3-CO)20 (L = PPr(i)3) (1). Its two-shell icosahedron of pseudo-Ih symmetry (without isopropyl substituents) enables a structural/bonding comparison with interior 55-metal-atom two-shell icosahedral geometries observed within the multi-shell capped 145-metal-atom three-shell Pd145(CO)72(PEt3)30 and 165-metal-atom four-shell Pt-centered (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ≈ 7) nanoclusters, and within the recently reported four-shell Au133(SC6H4-p-Bu(t))52 nanocluster. DFT calculations carried out on a Pd55(CO)20(PH3)12 model analogue, with triisopropyl phosphine substituents replaced by H atoms, revealed a positive +0.84 e charge for the entire Pd55 core, with a highly positive second-shell Pd42 surface of +1.93 e. PMID:26790717

  20. Models for inner-shell excitation in ion-atom collisions

    International Nuclear Information System (INIS)

    Models of inner-shell vacancy production which include translation factors are developed for the change transfer process in ion-atom collisions. Translation factors are included in the basis set in which the electronic wavefunction is expanded in order to correctly describe the motion of the electron during the collision. Though several numerical studies have been done which employ this concept, the present models for change exchange are based on stationary state expansions. First the problem is formulated in the adiabatic framework. Having chosen a case in which the form of the translation factors is simple and in which additional approximations may be made, i.e., the case of long-range coupling, all terms in the equations of motion can be evaluated in closed form. An analytic solution is derived with the adiabatic theory which shows explicitly the effects of translation factors on the sharing ratio (defined as the ratio of vacancy production cross-sections of the high Z to low Z partners). The result reduces to that of the Demkov model in the low velocity limit. As the velocity increases, a sharing ratio is predicted which drops below the Demkov curve and reaches a maximum at finite velocity. Numerical calculations using translation factors in a molecular orbital basis exhibit such a fall-off. It is shown that this effect is due solely to the inclusion of the momentum transfer of the electron. The assumptions of the adiabatic approach, however, limit its application to the low velocity region. A new formulation is developed of the problem which is not limited by the adiabatic assumptions. Solutions of the equations of motion in closed form are obtained. This new treatment gives not only the correct adiabatic limit but also the exact Born result directly from the analytic solution of the coupled equations

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

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Zhimin; Wang, Qiang, E-mail: wangqiang@njtech.edu.cn; Shan, Xiaoye; Zhu, Hongjun, E-mail: zhuhj@njtech.edu.cn [Department of Applied Chemistry, College of Science, Nanjing Tech University, Nanjing 211816 (China); Li, Wei-qi [Department of Physics, Harbin Institute of Technology, Harbin 150001 (China); Chen, Guang-hui [Department of Chemistry, Shantou University, Shantou, Guangdong 515063 (China)

    2015-02-21

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

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

    International Nuclear Information System (INIS)

    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

  3. Relativistic equation-of-motion coupled-cluster method for the double ionization potentials of the closed-shell atoms

    CERN Document Server

    Pathak, Himadri; Sahoo, B K; Das, B P; Vaval, Nayana; Pal, Sourav

    2014-01-01

    We report the implementation of the relativistic equation-of-motion coupled-cluster method to calculate double ionization spectra (DI-EOMCC) of the closed-shell atomic systems. This method is employed to calculate principal valence double ionization potential values of He and alkaline earth metal (Be, Mg, Ca, Sr and Ba) atoms. Our results are compared with the results available from the national institute of science and technology (NIST) database and other ab initio calculations. We have achieved an accuracy of ~ 0.1%, which is an improvement over the first principles T-matrix calculations [J. Chem. Phys. 123, 144112 (2005)]. We also present results using the second-order many-body perturbation theory and the random -phase approximation in the equation-of-motion framework and these results are compared with the DI-EOMCC results.

  4. Synthesis of Pt–Pd Core–Shell Nanostructures by Atomic Layer Deposition: Application in Propane Oxidative Dehydrogenation to Propylene

    Energy Technology Data Exchange (ETDEWEB)

    Lei, Yu; Liu, Bin; Lu, Junling; Lobo-Lapidus, Rodrigo J.; Wu, Tianpin; Feng, Hao; Xia, Xiaoxing; Mane, Anil U.; Libera, Joseph A.; Greeley, Jeffrey P.; Miller, Jeffrey T.; Elam, Jeffrey W.

    2012-08-20

    Atomic layer deposition (ALD) was employed to synthesize supported Pt–Pd bimetallic particles in the 1 to 2 nm range. The metal loading and composition of the supported Pt–Pd nanoparticles were controlled by varying the deposition temperature and by applying ALD metal oxide coatings to modify the support surface chemistry. High-resolution scanning transmission electron microscopy images showed monodispersed Pt–Pd nanoparticles on ALD Al2O3- and TiO2-modified SiO2 gel. X-ray absorption spectroscopy revealed that the bimetallic nanoparticles have a stable Pt-core, Pd-shell nanostructure. Density functional theory calculations revealed that the most stable surface configuration for the Pt–Pd alloys in an H2 environment has a Pt-core, Pd-shell nanostructure. Finally, in comparison to their monometallic counterparts, the small Pt–Pd bimetallic core–shell nanoparticles exhibited higher activity in propane oxidative dehydrogenation as compared to their physical mixture.

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

    Science.gov (United States)

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

    2016-06-22

    Bimetallic nanoparticles comprising noble metal and non-noble metal have attracted intense interest over the past few decades due to their low cost and significantly enhanced catalytic performances. In this article, we have explored the atomic structure and thermal stability of Pt-Fe alloy and core-shell nanoparticles by molecular dynamics simulations. In Fe-core/Pt-shell nanoparticles, Fe with three different structures, i.e., body-centered cubic (bcc), face-centered cubic (fcc), and amorphous phases, has been considered. Our results show that Pt-Fe alloy is the most stable configuration among the four types of bimetallic nanoparticles. It has been discovered that the amorphous Fe cannot stably exist in the core and preferentially transforms into the fcc phase. The phase transition from bcc to hexagonal close packed (hcp) has also been observed in bcc-Fe-core/Pt-shell nanoparticles. In contrast, Fe with the fcc structure is the most preferred as the core component. These findings are helpful for understanding the structure-property relationships of Pt-Fe bimetallic nanoparticles, and are also of significance to the synthesis and application of noble metal based nanoparticle catalysts. PMID:27297782

  6. Prediction of mass excess, β-decay energy and neutron separation energy from the atomic mass formula with empirical shell terms

    International Nuclear Information System (INIS)

    Recently we proposed two types of atomic mass formula (constant-shell-term formula, linear-shell-term formula). With use of these formulas, we calculate and tabulate mass excesses, neutron separation energies, and β-decay energies (β-decay and/or electron capture) for about 5000 nuclides. The mass excess values and their errors in the 1977 atomic mass evaluation by A.H. Wapstra and K. Bos which we used in constructing our formulas, are also tabulated for reference. The constant-shell-term formula is fitted to 1468 input mass data with the standard deviation of 626 keV and the linear-shell-term formula with 394 keV

  7. van der Waals interaction between an atom and a spherical plasma shell

    International Nuclear Information System (INIS)

    The van der Waals interaction energy of an atom with an infinitely thin sphere with finite conductivity is investigated in the framework of the hydrodynamic approach. Thin sphere models the fullerene. We put the sphere into a spherical cavity inside the infinite dielectric media then calculate the energy of vacuum fluctuations in the context of the ζ-function approach. The interaction energy for a single atom is obtained from this expression in the limit of the rare media. The Casimir-Polder expression for an atom and plate is recovered in the limit of the infinite radius of the sphere. Assuming a finite radius of the sphere, the interaction energy of an atom falls down to a third power of distance between the atom and sphere for short distances and to a seventh power for large distances from the sphere. Numerically the interaction energy is 3.8 eV for the hydrogen atom placed on the surface of the sphere with parameters of fullerene C60. We also show that the polarizability of fullerene is merely a cube of its radius.

  8. Deuteron-and alpha particle-induced K-shell ionisation of W and Au atoms

    International Nuclear Information System (INIS)

    Deuteron - and alpha particle - induced K-shell ionisation cross sections for W and Au were obtained from thick-target measurements for low impact velocities. They were compared to proton-induced cross sections in the same range of velocities. Equal-velocity cross sections ratios are a very stringent test to the corrections incorporated to the PWBA calculations. The σd/σp data presented in this paper sheds some light on the Coulomb-deflection corrections discussed in the literature. The consequences of the inelastic character of the ionisation process are thoroughly examined. (Author)

  9. Preparation of Core-Shell Hybrid Compounds by Atomic Transfer Radical Polymerization and Its Application to Plastic Lens of Headlamp.

    Science.gov (United States)

    Noh, Seung-Man; Ahn, Jae-Beum; Choi, Ki-Hyun; Park, Seung-Kyu

    2015-09-01

    Nano silica ball (NSB) core polymethylmethacrylate (PMMA) shell hybrid nanocomposites were synthesized by atomic transfer radical polymerization (ATRP) method for the application to the clearcoat to enhance scratch resistance. The characteristics of the synthesized inorganic/organic hybrid material were examined by scanning electron microscope (SEM), particle size analysis, Fourier transform infrared (FTIR) spectroscopy and thermo gravimetric analysis-differential scanning calorimetry (TGA-DSC). The scratch resistance and light transmittance of the clearcoat were measured by a nano-scratch tester and UV-visible spectroscopy, respectively. The average particle size of the NSB-PMMA hybrid compounds was 30 nm with narrow size distribution. Even 0.1 wt% loading of NSB-PMMA in the clearcoat dramatically enhanced the scratch resistance, about 40% increase in the force of the first fracture, while slightly reduced the light transmittance, about 5% only. PMID:26716303

  10. Charge-transfer energy in closed-shell ion-atom interactions. [for H and Li ions in He

    Science.gov (United States)

    Alvarez-Rizzatti, M.; Mason, E. A.

    1975-01-01

    The importance of charge-transfer energy in the interactions between closed-shell ions and atoms is investigated. Ab initio calculations on H(plus)-He and Li(plus)-He are used as a guide for the construction of approximate methods for the estimation of the charge-transfer energy for more complicated systems. For many alkali ion-rate gas systems the charge-transfer energy is comparable to the induction energy in the region of the potential minimum, although for doubly charged alkaline-earth ions in rare gases the induction energy always dominates. Surprisingly, an empirical combination of repulsion energy plus asymptotic induction energy plus asymptotic dispersion energy seems to give a fair representation of the total interaction, especially if the repulsion energy is parameterized, despite the omission of any explicit charge-transfer contribution. More refined interaction models should consider the charge-transfer energy contribution.

  11. The thermal Casimir–Polder interaction of an atom with a spherical plasma shell

    International Nuclear Information System (INIS)

    The van der Waals and Casimir–Polder interaction energy of an atom with an infinitely thin sphere with finite conductivity is investigated in the framework of the hydrodynamic approach at finite temperature. This configuration models the real interaction of an atom with fullerene. The Lifshitz approach is used to find the free energy. We find the explicit expression for the free energy and perform its analysis for (i) high and low temperatures, (ii) large radii of the sphere and (iii) short separation between an atom and sphere. At low temperatures the thermal part of the free energy approaches zero as the fourth power of the temperature, while for high temperatures it is proportional to the first degree of the temperature. The entropy of this system is positive for small radii of the sphere and it becomes negative at low temperatures and for large radii of the sphere. (paper)

  12. The thermal Casimir-Polder interaction of an atom with spherical plasma shell

    OpenAIRE

    Khusnutdinov, Nail R.

    2012-01-01

    The van der Waals and Casimir-Polder interaction energy of an atom with an infinitely thin sphere with finite conductivity is investigated in the framework of the hydrodynamic approach at finite temperature. This configuration models the real interaction of an atom with fullerene. The Lifshitz approach is used to find the free energy. We find the explicit expression for the free energy and perform the analysis of it for i) high and low temperatures, ii) large radii of sphere and ii) short sep...

  13. Up-down asymmetry in the relativistic (e, 2e) processes for K-shell ionization of Cu, Ag and Au atoms

    International Nuclear Information System (INIS)

    We present in this communication a theoretical demonstration of up-down asymmetry in the relativistic (e, 2e) process for K-shell ionization of Cu, Ag and Au atoms. The theoretical formalism has been developed in plane wave Born approximation and in this approximation the triple differential cross section (TDCS) has been expressed in terms of a product of kinematical factors and atomic structure functions. The up-down asymmetry in the relativistic (e, 2e) process on K-shell of atoms has been shown to depend on the interference between the transition charge and component of the transition current perpendicular to the scattering plane. Further, the up-down asymmetry has been shown to depend on incident electron energy, atomic number of the target and scattering electron angle. (author)

  14. Cold collisions of an open-shell S-state atom with a (2)Pi molecule : N(S-4) colliding with OH in a magnetic field.

    OpenAIRE

    Skomorowski, Wojciech; Gonzalez-Martinez, Maykel L.; Moszynski, Robert; Hutson, Jeremy M.

    2011-01-01

    We present quantum-theoretical studies of collisions between an open-shell S-state atom and a ^2Pi-state molecule in the presence of a magnetic field. We analyze the collisional Hamiltonian and discuss possible mechanisms for inelastic collisions in such systems. The theory is applied to the collisions of the nitrogen atom (^4S) with the OH molecule, with both collision partners initially in fully spin-stretched (magnetically trappable) states, assuming that the interaction takes place exclus...

  15. Isolation of atomically precise mixed ligand shell PdAu24 clusters

    Science.gov (United States)

    Sels, Annelies; Barrabés, Noelia; Knoppe, Stefan; Bürgi, Thomas

    2016-05-01

    Exposure of PdAu24(2-PET)18 (2-PET: 2-phenylethylthiolate) to BINAS (1,1-binaphthyl-2,2-dithiol) leads to species of composition PdAu24(2-PET)18-2x(BINAS)x due to ligand exchange reactions. The BINAS adsorbs in a specific mode that bridges the apex and one core site of two adjacent S(R)-Au-S(R)-Au-S(R) units. Species with different compositions of the ligand shell can be separated by HPLC. Furthermore, site isomers can be separated. For the cluster with exactly one BINAS in its ligand shell only one isomer is expected due to the symmetry of the cluster, which is confirmed by High-Performance Liquid Chromatography (HPLC). Addition of a second BINAS to the ligand shell leads to several isomers. In total six distinguishable isomers are possible for PdAu24(2-PET)14(BINAS)2 including two pairs of enantiomers concerning the adsorption pattern. At least four distinctive isomers are separated by HPLC. Calculations indicate that one of the six possibilities is energetically disfavoured. Interestingly, diastereomers, which have an enantiomeric relationship concerning the adsorption pattern of chiral BINAS, have significantly different stabilities. The relative intensity of the observed peaks in the HPLC does not reflect the statistical weight of the different isomers. This shows, as supported by the calculations, that the first adsorbed BINAS molecule influences the adsorption of the second incoming BINAS ligand. In addition, experiments with the corresponding Pt doped gold cluster reveal qualitatively the same behaviour, however with slightly different relative abundances of the corresponding isomers. This finding points towards the influence of electronic effects on the isomer distribution. Even for clusters containing more than two BINAS ligands a limited number of isomers were found, which is in contrast to the corresponding situation for monothiols, where the number of possible isomers is much larger.Exposure of PdAu24(2-PET)18 (2-PET: 2-phenylethylthiolate) to BINAS (1

  16. Young’s modulus of PS/CeO2 composite with core/shell structure microspheres measured using atomic force microscopy

    International Nuclear Information System (INIS)

    Organic–inorganic composite microspheres with PS as a core and CeO2 as a shell were synthesized by in situ chemical precipitation method. The size of PS core was 117, 163, 206, and 241 nm, respectively, and the shell thickness was about 10 nm. The CeO2 shell was composed of a large number of nanoparticles, of which the size was 4–6 nm. Atomic force microscopy was employed to probe the mechanical properties of core–shell structured ceria-coated polystyrene (PS/CeO2) composite microspheres. On the basis of Hertz’s theory of contact mechanics, compressive moduli were measured by the analysis of force–displacement curves captured on the microsphere samples. For a fixed CeO2 shell thickness, the Young’s modulus of composite microspheres increased with an increase of PS core size. The calculated Young’s moduli (E) values of composites for 136, 185, 242, and 261 nm in diameter were 5.78 ± 0.9, 7.23 ± 1.3, 11.46 ± 1.7, and 14.54 ± 1.4 GPa, respectively. The results revealed the effect of the CeO2 shell on the elastic deformation of the PS core. This approach will provide fundamental insights into the actual role of organic/inorganic core/shell composite abrasives in chemical mechanical polishing.

  17. Time-resolved electron spectroscopy of atomic inner-shell dynamics

    International Nuclear Information System (INIS)

    The extremely fast evolution of core-hole relaxation was not yet observable directly in the time-domain. A novel technique combining core-hole creation with attosecond extreme ultraviolet (EUV) pulses and electron wave-packet sampling with a pulsed laser-field provides the necessary experimental tools. As a benchmark, the exponential decay of 3d holes in atomic krypton was tracked yielding a decay constant of 8 fs

  18. Computation of Ion Charge State Distributions After Inner-shell Ionization in Ne, Ar and Kr Atoms Using Monte Carlo Simulation

    International Nuclear Information System (INIS)

    Atomic reorganization starts by filling the initially inner-shell vacancy by a radiative transition (x-ray) or by a non-radiative transition (Auger and Coster-Kronig processes). New vacancies created during this atomic reorganization may in turn be filled by further radiative and non-radiative transitions until all vacancies reach the outermost occupied shells. The production of inner-shell vacancy in an atom and the de-excitation decays through radiative and non-radiative transitions may result in a change of the atomic potential; this change leads to the emission of an additional electron in the continuum (electron shake-off processes). In the present work, the ion charge state distributions (CSD) and mean atomic charge ions produced from inner shell vacancy de-excitation decay are calculated for neutral Ne , Ar and Kr atoms. The calculations are carried out using Monte Carlo (MC) technique to simulate the cascade development after primary vacancy production. The radiative and non-radiative transitions for each vacancy are calculated in the simulation. In addition, the change of transition energies and transition rates due to multi vacancies produced in the atomic configurations through the cascade development are considered in the present work. It is found that considering the electron shake off process and closing of non-allowed non-radiative channels improves the results of both charge state distributions (CSD) and average charge state. To check the validity of the present calculations, the results obtained are compared with available theoretical and experimental data. The present results are found to agree well with the available theoretical and experimental values. (author)

  19. Computation of Ion Charge State Distributions After Inner-Shell Ionization In Ne, Ar And Kr Atoms Using Monte Carlo Simulation

    International Nuclear Information System (INIS)

    Atomic reorganization starts by filling the initially inner-shell vacancy by a radiative transition (x-ray) or by a non-radiative transition (Auger and Coster-Kronig processes). New vacancies created during this atomic reorganization may in turn be filled by further radiative and non-radiative transitions until all vacancies reach the outermost occupied shells. The production of inner-shell vacancy in an atom and the de-excitation decays through radiative and non-radiative transitions may result in a change of the atomic potential; this change leads to the emission of an additional electron in the continuum (electron shake-off processes). In the present work, the ion charge state distributions (CSD) and mean atomic charge ions produced from inner-shell vacancy de-excitation decay are calculated for neutral Ne, Ar and Kr atoms. The calculations are carried out using Monte Carlo (MC) technique to simulate the cascade development after primary vacancy production. The radiative and non-radiative transitions for each vacancy are calculated in the simulation. In addition, the change of transition energies and transition rates due to multi vacancies produced in the atomic configurations through the cascade development are considered in the present work. It is found that considering the electron shake--off process and closing of non-allowed non-radiative channels improves the results of both charge state distributions (CSD) and average charge state. To check the validity of the present calculations, the results obtained are compared with available theoretical and experimental data. The present results are found to agree well with the available theoretical and experimental values.

  20. Inner-shell magnetic dipole transition in Tm atom as a candidate for optical lattice clocks

    CERN Document Server

    Sukachev, D; Tolstikhina, I; Kalganova, E; Vishnyakova, G; Khabarova, K; Tregubov, D; Golovizin, A; Sorokin, V; Kolachevsky, N

    2016-01-01

    We consider a narrow magneto-dipole transition in the $^{169}$Tm atom at the wavelength of $1.14\\,\\mu$m as a candidate for a 2D optical lattice clock. Calculating dynamic polarizabilities of the two clock levels $[\\text{Xe}]4f^{13}6s^2 (J=7/2)$ and $[\\text{Xe}]4f^{13}6s^2 (J=5/2)$ in the spectral range from $250\\,$nm to $1200\\,$nm, we suggest the "magic" wavelength for the optical lattice at $807\\,$nm. Frequency shifts due to black-body radiation (BBR), the van der Waals interaction, the magnetic dipole-dipole interaction and other effects which can perturb the transition frequency are calculated. The transition at $1.14\\,\\mu$m demonstrates low sensitivity to the BBR shift corresponding to $8\\times10^{-17}$ in fractional units at room temperature which makes it an interesting candidate for high-performance optical clocks. The total estimated frequency uncertainty is less than $5 \\times 10^{-18}$ in fractional units. By direct excitation of the $1.14\\,\\mu$m transition in Tm atoms loaded into an optical dipole ...

  1. Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from 55Cs to 80Hg

    International Nuclear Information System (INIS)

    We consider, for atoms from 55Cs to 80Hg, the effective atomic radius (rear), which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He2. The values of rear are about 50% larger than the mean radius of the outermost occupied orbital of 6s, . The value of rear decreases from 55Cs to 56Ba and undergoes increases and decreases with rising nuclear charge from 57La to 70Y b. In fact rear is understood as comprising two interlaced sequences; one consists of 57La, 58Ce, and 64Gd, which have electronic configuration (4fn−1)(5d1)(6s2), and the remaining atoms have configuration (4fn)(6s2). The sphere defined by rear contains 85%–90% of the 6s electrons. From 71Lu to 80Hg the radius rear also involves two sequences, corresponding to the two configurations 5dn+16s1 and 5dn6s2. The radius rear according to the present methodology is considerably larger than rvdW obtained by other investigators, some of who have found values of rvdW close to

  2. Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from 55Cs to 80Hg

    Directory of Open Access Journals (Sweden)

    Hiroshi Tatewaki

    2015-06-01

    Full Text Available We consider, for atoms from 55Cs to 80Hg, the effective atomic radius (rear, which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He2. The values of rear are about 50% larger than the mean radius of the outermost occupied orbital of 6s, . The value of rear decreases from 55Cs to 56Ba and undergoes increases and decreases with rising nuclear charge from 57La to 70Y b. In fact rear is understood as comprising two interlaced sequences; one consists of 57La, 58Ce, and 64Gd, which have electronic configuration (4fn−1(5d1(6s2, and the remaining atoms have configuration (4fn(6s2. The sphere defined by rear contains 85%–90% of the 6s electrons. From 71Lu to 80Hg the radius rear also involves two sequences, corresponding to the two configurations 5dn+16s1 and 5dn6s2. The radius rear according to the present methodology is considerably larger than rvdW obtained by other investigators, some of who have found values of rvdW close to .

  3. The thermal Casimir-Polder interaction of an atom with spherical plasma shell

    CERN Document Server

    Khusnutdinov, Nail R

    2012-01-01

    The van der Waals and Casimir-Polder interaction energy of an atom with an infinitely thin sphere with finite conductivity is investigated in the framework of the hydrodynamic approach at finite temperature. The Lifshits approach is used to find the free energy. We find the close expression for the free energy and make the analysis of it for i) high and low temperatures, ii) large radii of sphere and ii) short distance from sphere. At low temperatures the thermal part of the free energy tends to zero as forth power of the temperature while for high temperatures it is proportional to the first degree of the temperature. We show that the entropy of this system is positive for small radii of sphere and it becomes negative at low temperatures and for large radii of the sphere.

  4. Inner-shell correlations and Sturm expansions in coupled perturbation calculations of atomic systems

    Energy Technology Data Exchange (ETDEWEB)

    Sherstyuk, A.I.; Solov`eva, G.S. [Vavilov State Optical Institute, St. Petersburg (Russian Federation)

    1995-04-01

    It is shown that virtual Hartree-Fock orbitals in Sturm-type expansions can be used to calculate the response of atomic systems to an external field within the framework of the coupled perturbation theory with allowance for correlation effects. The corrected electron-electron interaction in a system with field-distorted orbitals is considered by adding a nonlocal potential to a one-electron Hartree-Fock operator within each group of equivalent elections. The remaining correlation effects are calculated by solving a system of equations for corrections to the radial functions. The system is solved iteratively, with each subsequent iteration corresponding to a correction of an increasingly higher order in the electron--electron interaction. The explicit expression derived for the polarizability contains one-and two-particle radial integrals of the Sturm functions.

  5. Inner-shell correlations and Sturm expansions in coupled perturbation calculations of atomic systems

    International Nuclear Information System (INIS)

    It is shown that virtual Hartree-Fock orbitals in Sturm-type expansions can be used to calculate the response of atomic systems to an external field within the framework of the coupled perturbation theory with allowance for correlation effects. The corrected electron-electron interaction in a system with field-distorted orbitals is considered by adding a nonlocal potential to a one-electron Hartree-Fock operator within each group of equivalent elections. The remaining correlation effects are calculated by solving a system of equations for corrections to the radial functions. The system is solved iteratively, with each subsequent iteration corresponding to a correction of an increasingly higher order in the electron--electron interaction. The explicit expression derived for the polarizability contains one-and two-particle radial integrals of the Sturm functions

  6. Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from {sub 55}Cs to {sub 80}Hg

    Energy Technology Data Exchange (ETDEWEB)

    Tatewaki, Hiroshi, E-mail: htatewak@nsc.nagoya-cu.ac.jp [Graduate School of Natural Sciences, Nagoya City University, Nagoya, Aichi 467-8501 (Japan); Institute of Advanced Studies in Artificial Intelligence, Chukyo University, Toyota, Aichi 470-0393 (Japan); Hatano, Yasuyo [School of Information Science and Technology, Chukyo University, Toyota, Aichi 470-0393 (Japan); Noro, Takeshi [Division of Chemistry, Graduate School of Science, Hokkaido University, Sapporo, Hokkaido 060-0810 (Japan); Yamamoto, Shigeyoshi [School of International Liberal Studies, Chukyo University, Nagoya, Aichi 466-8666 (Japan)

    2015-06-15

    We consider, for atoms from {sub 55}Cs to {sub 80}Hg, the effective atomic radius (r{sub ear}), which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He{sub 2}. The values of r{sub ear} are about 50% larger than the mean radius of the outermost occupied orbital of 6s, . The value of r{sub ear} decreases from {sub 55}Cs to {sub 56}Ba and undergoes increases and decreases with rising nuclear charge from {sub 57}La to {sub 70}Y b. In fact r{sub ear} is understood as comprising two interlaced sequences; one consists of {sub 57}La, {sub 58}Ce, and {sub 64}Gd, which have electronic configuration (4f{sup n−1})(5d{sup 1})(6s{sup 2}), and the remaining atoms have configuration (4f{sup n})(6s{sup 2}). The sphere defined by r{sub ear} contains 85%–90% of the 6s electrons. From {sub 71}Lu to {sub 80}Hg the radius r{sub ear} also involves two sequences, corresponding to the two configurations 5d{sup n+1}6s{sup 1} and 5d{sup n}6s{sup 2}. The radius r{sub ear} according to the present methodology is considerably larger than r{sub vdW} obtained by other investigators, some of who have found values of r{sub vdW} close to .

  7. Anomalous elastic scattering of linearly polarized X-ray radiation by multicharged atomic ions in the range of the ionization threshold of the 1s-shell

    Energy Technology Data Exchange (ETDEWEB)

    Hopersky, A.N. E-mail: phys@rgups.ru; Novikov, S.A.; Chuvenkov, V.V

    2002-04-01

    The absolute values and shape of differential cross-section of the process of the anomalous elastic scattering for non-zero angle are investigated within non-relativistic approximation for linearly polarized X-ray radiation scattered by multicharged atomic ions Ne{sup 6+} in the range of the ionization threshold of 1s-shell. The many-particle effects of radial rearrangement of electron shells in the field of an inner 1s-vacancy and the effect of vacancy stabilization are taken into account. The results of the work are predictions.

  8. Implementation and Application of the Relativistic Equation of Motion Coupled-cluster Method for the Excited States of Closed-shell Atomic Systems

    CERN Document Server

    Nandy, D K; Sahoo, B K

    2014-01-01

    We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This theoretical development will be very useful to carry out high precision calculations of varieties of atomic properties in many atomic systems. We employ this method to calculate excitation energies of many low-lying states in a few Ne-like highly charged ions, such as Cr XV, Fe XVII, Co XVIII and Ni XIX ions, and compare them against their corresponding experimental values to demonstrate the accomplishment of the EOMCC implementation. The considered ions are apt to substantiate accurate inclusion of the relativistic effects in the evaluation of the atomic properties and are also interesting for the astrophysical studies. Investigation of the temporal variation of the fine structure constant (\\alpha) from the astrophysical observations is one of the modern research problems...

  9. Core-shell Si@TiO2 nanosphere anode by atomic layer deposition for Li-ion batteries

    Science.gov (United States)

    Bai, Ying; Yan, Dong; Yu, Caiyan; Cao, Lina; Wang, Chunlei; Zhang, Jinshui; Zhu, Huiyuan; Hu, Yong-Sheng; Dai, Sheng; Lu, Junling; Zhang, Weifeng

    2016-03-01

    Silicon (Si) has been regarded as next-generation anode for high-energy lithium-ion batteries (LIBs) due to its high Li storage capacity (4200 mA h g-1). However, the mechanical degradation and resultant capacity fade critically hinder its practical application. In this regard, we demonstrate that nanocoating of Si spheres with a 3 nm titanium dioxide (TiO2) layer via atomic layer deposition (ALD) can utmostly balance the high conductivity and the good structural stability to improve the cycling stability of Si core material. The resultant sample, Si@TiO2-3 nm core-shell nanospheres, exhibits the best electrochemical performance of all with a highest initial Coulombic efficiency and specific charge capacity retention after 50 cycles at 0.1C (82.39% and 1580.3 mA h g-1). In addition to making full advantage of the ALD technique, we believe that our strategy and comprehension in coating the electrode and the active material could provide a useful pathway towards enhancing Si anode material itself and community of LIBs.

  10. 18. Within the atom economical electronic "s, p, d, f Type electron hull shell" forming principle and spin Elliptical orbit parameters variation analysis

    Directory of Open Access Journals (Sweden)

    Huang Zhenqiang and Huang Yuxiang

    2013-10-01

    Full Text Available In chapter 16 we have about three of hydrogen, lithium, helium atoms "s type ball shell electron cloud" describes forming principle and calculation. Therefore: each electronic in nucleus and other electronic electric, magnetic field force, not only along the spin elliptical orbits around the nucleus, there are different degrees of lateral additional movement, as shown in figure 18.2, 18.4, 18.6... As shown. It formed the spin elliptical orbit revolving curved surface. When same layer n of rotating ellipsoid surface "electron hull shell" under the action of electric field repelling force symmetry respectively to different space position and direction, were composed "s, p, d, f type electron hull shell". From (1.2-1 type, electronic wave radius:

  11. Open M-shell Opacity of Bromine Plasma in Comparison of the Detailed Level Accounting Model with the Average Atom Model

    Institute of Scientific and Technical Information of China (English)

    JIN Feng-Tao; YUAN Jian-Min

    2005-01-01

    @@ The open M-shell opacity of a hot bromine plasma has been calculated by using a detailed level accounting (DLA )model. One-electron orbitals obtained by solving the fully relativistic Dirac-Fock equations are used to obtain the atomic levels and the radiative transition oscillator strengths. Only the level mixing within the same electron configuration is considered to reduce the complexity of the calculations. Detailed comparisons have been made between the results of the DLA and average atom (AA) models. Good agreements are found for both the M-shell transition arrays and the Planck mean opacity but there are differences for the line positions in the 2p → 3d absorption region due to the statistical treatment for the one-electron orbitals in the AA model.

  12. Coulomb interaction in atomic and nuclear physics: Inner-Shell excitation, Coulomb dissociation of nuclei, and nuclear polarizability in electronic atoms

    International Nuclear Information System (INIS)

    In three chapters different physical situations are described which have commonly the Coulomb interaction as driving force. The first two chapters study the Coulomb interactions in connection with the excitation of inner electron shells and the Coulomb excitation of nuclei in first order. In the third part on effect ofthe Coulomb interaction between electronic shell and nucleus is treated in second order (nuclear polarization), and its effect on the isotopic and isomeric shift is studied. (orig./HSI)

  13. 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

    Science.gov (United States)

    Ayinol, M.; Aydeniz, D.

    2016-03-01

    L shell ionization cross section and Li subshells ionization cross sections of Rn, Ra, Th, U, Pu atoms calculated. For each of atoms, ten different electron impact energy values (Eo) 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. σL total and σLi(i = 1,2,3) subshells ionisation cross section values obtained for Eo values in the energy range of ELi atom. Starting almost from Eo = ELi values of the each sub shell ionization threshold energy, σL total and σLi (i = 1,2,3) are increasing rapidly with Eo. For a fixed Eo = 3.ELi), while Z increases from 86atom impact studies.

  14. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

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

  15. Atoms

    International Nuclear Information System (INIS)

    Completed by recent contributions on various topics (atoms and the Brownian motion, the career of Jean Perrin, the evolution of atomic physics since Jean Perrin, relationship between scientific atomism and philosophical atomism), this book is a reprint of a book published at the beginning of the twentieth century in which the author addressed the relationship between atomic theory and chemistry (molecules, atoms, the Avogadro hypothesis, molecule structures, solutes, upper limits of molecular quantities), molecular agitation (molecule velocity, molecule rotation or vibration, molecular free range), the Brownian motion and emulsions (history and general features, statistical equilibrium of emulsions), the laws of the Brownian motion (Einstein's theory, experimental control), fluctuations (the theory of Smoluchowski), light and quanta (black body, extension of quantum theory), the electricity atom, the atom genesis and destruction (transmutations, atom counting)

  16. Computation of triple differential cross-sections with the inclusion of exchange effects in atomic K-shell ionization by relativistic electrons for symmetric geometry

    Indian Academy of Sciences (India)

    S Dhar; M R Alam

    2007-09-01

    The triple differential cross-section for K-shell ionization of silver and copper atoms by relativistic electrons have been computed in the coplanar symmetric geometry with the inclusion of exchange effects following the multiple scattering theory of Das and Seal [1] multiplied by suitable spinors. Present computed results are marginally improved in some cases from the previous computed results [2]. Present results are compared with measured values [3] and with previous computation results [2]. Some other theoretical computational results are also presented here for comparison.

  17. Determination of rare earth elements, thorium, and uranium in mussel, ark shell, and coral by inductively coupled plasma atomic emission spectrometry

    International Nuclear Information System (INIS)

    The determination of rare earth elements, thorium, and uranium in mussel, ark shell, and coral was made by inductively coupled plasma atomic emission spectrometry(ICP-AES). Four samples of mussels, original mussles, and mussels powdered by the original standard method, were dissolved with a mixture of HNO3 and HClO4. For one part of the sample solution, coprecipitation by ferric hydroxide was applied. Analytical values obtained with and without coprecipitation showed good agreement. The sample solutions for shells and coral were prepared by acid decomposition, and the elements to be determined were separated from calcium by coprecipitation to eliminate spectral interference by calcium. Analytical values were obtained from the calibration curves made with standard solutions containing matrix components at concentrations similar to those for real samples solutions. The concentrations of rare earth elements, Th and U in sample solutions of mussel ranged from 0.001 μg/g to 0.2 μg/g. The concentrations of rare earth elements and Th in mussel, shells, and coral are 2000 -- 15000 times higher than those in sea water. (author)

  18. Inner-shell corrections to the Bethe stopping-power formula evaluated from a realistic atomic model

    International Nuclear Information System (INIS)

    Generalized oscillator strengths for K- and L-shell ionization have been calculated using a central potential derived from the Hartree-Slater model. In cases in which an ejected electron carries low kinetic energies, sizable differences with hydrogenic-model calculations are evident

  19. De-excitation decay following 1s and 2p shell ionization in Potassium and Calcium atoms using Monte Carlo method

    International Nuclear Information System (INIS)

    Full text; Relative abundance of charged ions and mean charged ions are calculated following 1s and 2p vacancy production in potassium and calcium atoms. The calculations are performed with Monte Carlo simulation method. The simulation based on the tracing of all possible radiation, non-radiation transitions and electron shake off probabilities after inner shell vacancy creation. The radiative transition rates and electron shakes off processes are obtained with Multiconfiguration-Dirac-Fock (MCDF) wave functions model. The non-radiation transition rates are carried out using Dirac-Fock-Slater (DFS) wave functions. At 1s hole states in Potassium atom, the yield of K5+ ions are the prominent produces. The doubly charged K2+ ions predominate over K3+ ions after 2p shell ionization in potassium. On the other hand, the Ca3+ ions dominate over Ca2+ ions in Calcium. The considerations of closing some Coster-Kronig channels and electron shake off processes through the simulation improve the results of charged ions with the experimental data. The results of electron shake off probabilities are compared with other theoretical calculation. The results of relative abundance of charged ions agree well with the experimental data. (author)

  20. Preparation of (Ba,Sr)TiO{sub 3}-polystrene core-shell nanoparticles by solvent-free surface-initiated atom transfer radical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Yang Xiaowei [State Key Laboratory of Materials-Oriented Chemical Engineering, School of Materials Science and Engineering, Nanjing University of Technology, 5 New model Road, Nanjing 210009 (China); Zeng Yanwei, E-mail: zengyanwei@tom.com [State Key Laboratory of Materials-Oriented Chemical Engineering, School of Materials Science and Engineering, Nanjing University of Technology, 5 New model Road, Nanjing 210009 (China); Cai Tongxiang; Hu Zhenxing [State Key Laboratory of Materials-Oriented Chemical Engineering, School of Materials Science and Engineering, Nanjing University of Technology, 5 New model Road, Nanjing 210009 (China)

    2012-07-15

    The polystyrene shells have been successfully grown on the barium strontium titanate (BST) nanocrystals, which were synthesized by microwave-activated glycothermal method, via a solvent-free surface-initiated atom transfer radical polymerization (SI-ATRP) after the 2-bromo-2-methylpropionic acid molecules (Br-MPA) were anchored at the surface of BST nanocrystals through ligand exchange with hydroxyl groups on their surfaces. These surface modified BST nanocrystals can then be perfectly dispersed in styrene monomer and act as macroinitiators for ATRP to yield BST-PS core-shell structured nanoparticles, which endow the BST nanocrystals with exceptionally good dispersibility and stability in hydrophobic solvents. The BST-PS core-shell structures were characterized by X-ray diffraction (XRD) technique and transmission electron microscopy (TEM). Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy (Raman), differential scanning calorimetry (DSC) and gel permeation chromatography were also employed to probe the Br-MPA and PS on the BST nanocrystals. It has been shown that after the BST nanocrystals are surface-modified with Br-MPA, the polymerization of styrene can steadily occur at the surface of BST nanocrystals to form a uniform polystyrene shell and its thickness can reach {approx}10 nm when the polymerization reaction is extended to 36 h, while no changes are found to take place with the BST nanocrystals. Compared with typical high molecular weight PS (M{sub n} = 6700), the as-obtained PS possess a relatively low molecular weight (M{sub n} = 5473) and a lower glass transition temperature (T{sub g} {approx} 93 Degree-Sign C). The research results demonstrate a viable strategy for the preparation of polymer-coated functional metal oxides nanocrystals, potentially useful in biological and nanoelectronic applications.

  1. Preparation of (Ba,Sr)TiO3-polystrene core-shell nanoparticles by solvent-free surface-initiated atom transfer radical polymerization

    International Nuclear Information System (INIS)

    The polystyrene shells have been successfully grown on the barium strontium titanate (BST) nanocrystals, which were synthesized by microwave-activated glycothermal method, via a solvent-free surface-initiated atom transfer radical polymerization (SI-ATRP) after the 2-bromo-2-methylpropionic acid molecules (Br-MPA) were anchored at the surface of BST nanocrystals through ligand exchange with hydroxyl groups on their surfaces. These surface modified BST nanocrystals can then be perfectly dispersed in styrene monomer and act as macroinitiators for ATRP to yield BST-PS core-shell structured nanoparticles, which endow the BST nanocrystals with exceptionally good dispersibility and stability in hydrophobic solvents. The BST-PS core-shell structures were characterized by X-ray diffraction (XRD) technique and transmission electron microscopy (TEM). Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy (Raman), differential scanning calorimetry (DSC) and gel permeation chromatography were also employed to probe the Br-MPA and PS on the BST nanocrystals. It has been shown that after the BST nanocrystals are surface-modified with Br-MPA, the polymerization of styrene can steadily occur at the surface of BST nanocrystals to form a uniform polystyrene shell and its thickness can reach ∼10 nm when the polymerization reaction is extended to 36 h, while no changes are found to take place with the BST nanocrystals. Compared with typical high molecular weight PS (Mn = 6700), the as-obtained PS possess a relatively low molecular weight (Mn = 5473) and a lower glass transition temperature (Tg ∼ 93 °C). The research results demonstrate a viable strategy for the preparation of polymer-coated functional metal oxides nanocrystals, potentially useful in biological and nanoelectronic applications.

  2. Measurement of atomic L shell Coster-Kronig yields (f12, f23 and f13) for some elements in the atomic number range 59≤Z≤90

    International Nuclear Information System (INIS)

    Non-radiative transitions cause changes in the generation of the intensity of the L lines. In order to investigate the physical quantities relevant to the L lines affected by the non-radiative transitions, experimental measurements were carried out using a Si(Li) x-ray spectrometer. Atomic L shell Coster-Kronig yields (f12, f13 and f23) for some elements in the atomic number range 59≤Z≤90 were determined. These selected measured semi-empirical values were also fitted by least squares to polynomials in Z of the form ΣnanZn (except for f13) and compared with theoretical and with earlier fitted values. (author)

  3. Alignment and orientation of atomic outer shells induced by electron and ion impact: Some recent developments and remaining problems

    International Nuclear Information System (INIS)

    Alignment and orientation of atoms in collision experiments with planar symmetry have now been studied for about 15 years and close to 500 papers have been produced, mainly devoted to S->P excitation. Despite the large variety of electron-atom, ion-atom and atom-atom collision systems considered, a unified framework for description of these phenomena is now emerging. This framework is a generalization of the original ideas of Macek and Jaecks and is based on consideration of symmetries, conservation laws, etc. The key parameters are directly related to the shape and dynamics of the charge cloud of the excited electron as well as to experimental observables. A brief review is given of this framework, and some current problems and prospects for the future are discussed. (orig.)

  4. X-ray and inner-shell processes: Their impact on our understanding of atomic physics and atoms interacting with solids

    International Nuclear Information System (INIS)

    Atomic physics and the basic concepts of quantum theory have been probed in the last fifty years by using the techniques of optics and lasers in the visible range. The new powerful accelerators, storage rings, and various large scale devices, such as ion beams, synchrotron radiation, plasma confinement machines, powerful lasers, etc. developed by the nuclear physicists and high technology engineers have allowed, in the past three decades, new, unexpected and more general insights of atomic structure and more accurate checks of quantum mechanics. It is now possible to prepare any kind of atom or ion, having any number of electrons in any quantum states (atomic manipulations), and to trap or set them in defined places on surfaces. The study of these atomic species having electrons in any deep, or highly excited levels requires the use of electromagnetic transitions in a much wider range of wavelengths than in optics, and, because most of the time they are in autoionizing states, of Auger spectrometry. It is the purpose of this talk to review some of the most salient discoveries in the field since this time, to present some of the most recent and exciting results obtained in the last decade, and future prospects

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

    Directory of Open Access Journals (Sweden)

    Yehia A. Lotfy

    2006-01-01

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

  6. Slurry analysis of cadmium and copper collected on 11-mercaptoundecanoic acid modified TiO2 core-Au shell nanoparticles by flame atomic absorption spectrometry

    International Nuclear Information System (INIS)

    Separation/preconcentration of copper and cadmium using TiO2 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, 3σ) for copper and cadmium were 0.28 and 0.15 ng mL-1, respectively.

  7. Origin and shape evolution of core-shell nanoparticles in Au-Pd: from few atoms to high Miller index facets

    Energy Technology Data Exchange (ETDEWEB)

    Bhattarai, Nabraj; Casillas, Gilberto; Khanal, Subarna; Velazquez Salazar, J. Jesus; Ponce, Arturo; Jose-Yacaman, Miguel, E-mail: miguel.yacaman@utsa.edu [University of Texas at San Antonio, Department of Physics and Astronomy (United States)

    2013-06-15

    Au-Pd core-shell nanocubes and triangular nanoparticles were systematically synthesized from a few Pd layers up to fully grown morphologies by a modified seed-mediated growth method. The shape evolution of Au-Pd core-shell nanoparticles from single crystal and singly twinned seed to final concave nanocube and triangular plates are presented at atomic level by Cs-corrected scanning transmission electron microscopy (STEM). The growth mechanism of both morphologies was studied throughout different sizes. It was found that the concave nanocubes grew from octahedral Au seeds due to fast growth along Left-Pointing-Angle-Bracket 111 Right-Pointing-Angle-Bracket directions; while the triangular nanoparticles grew from singly twinned Au seeds, growing twice as fast in Left-Pointing-Angle-Bracket 110 Right-Pointing-Angle-Bracket directions along the twin boundary; compared to the Left-Pointing-Angle-Bracket 111 Right-Pointing-Angle-Bracket direction perpendicular to the twin boundary. Both the concave nanocubes and triangular nanoparticles presented high index facet (HIF) surfaces that will increase the catalytic activity of different reactions.

  8. Origin and shape evolution of core–shell nanoparticles in Au–Pd: from few atoms to high Miller index facets

    International Nuclear Information System (INIS)

    Au–Pd core–shell nanocubes and triangular nanoparticles were systematically synthesized from a few Pd layers up to fully grown morphologies by a modified seed-mediated growth method. The shape evolution of Au–Pd core–shell nanoparticles from single crystal and singly twinned seed to final concave nanocube and triangular plates are presented at atomic level by Cs-corrected scanning transmission electron microscopy (STEM). The growth mechanism of both morphologies was studied throughout different sizes. It was found that the concave nanocubes grew from octahedral Au seeds due to fast growth along 〈111〉 directions; while the triangular nanoparticles grew from singly twinned Au seeds, growing twice as fast in 〈110〉 directions along the twin boundary; compared to the 〈111〉 direction perpendicular to the twin boundary. Both the concave nanocubes and triangular nanoparticles presented high index facet (HIF) surfaces that will increase the catalytic activity of different reactions.

  9. Time-resolved fluorescence spectroscopy of matrix-isolated silver atoms after pulsed excitation of inner-shell transitions

    Science.gov (United States)

    Hebert, T.; Wiggenhauser, H.; Schriever, U.; Kolb, D. M.

    1990-02-01

    The energy dissipation in matrix-isolated silver atoms after pulsed vacuum ultraviolet (VUV) excitation of 4d-5p transitions has been studied by time-resolved fluorescence spectroscopy. The decay behavior of the various fluorescence bands has been analyzed and a model for the relaxation process proposed within the framework of a two-dimensional configuration-coordinate diagram. If minute quantities of Ag2 are present in the matrix, the analysis requires consideration of energy transfer between silver atoms and dimers.

  10. The effect of phenomenological modeling of z-pinch implosions on the scaling of k-shell emission with atomic number and mass

    International Nuclear Information System (INIS)

    Recent 1-D phenomenological modeling of plasma turbulence by enhancing transport coefficients has shown that it is possible to achieve good agreement with experimental plasma conditions at stagnation, especially when compared to previous laminar flow calculations. Since this original phenomenological study focused upon only a single Physics International Inc. argon experiment, it is important to build a stronger foundation for this modeling. This is accomplished by: (1) including turbulence effects phenomenologically in the 1-D, radiation, MHD average fluid description of the turbulent flow by enhancing the resistivity Ω, viscosity υ, and heat conductivity κ transport coefficients; (2) finding a set of (κ,υ,Ω) coefficients that reasonably produces the stagnation temperatures and densities of a Physics International Inc. aluminum experiment; (3) this choice of transport coefficients is then tested for dependence on mass loading m and atomic number Z by comparing calculated implosion conditions with those found in a variety of PI aluminum and argon experiments. The authors find that the choice of enhanced transport coefficients that produces good agreement with the stagnation temperatures and densities of the single PI aluminum experiment also gives acceptable agreement for the other aluminum and argon experiments. Based on the presumption that a better representation of plasma conditions at stagnation also gives rise to more realistic K-shell yield scaling with atomic number, the minimum load mass and kinetic energy (machine energy) requirements needed to efficiently produce K-shell emission are calculated for aluminum and argon using enhanced transport calculations. These results are then extrapolated to other Z materials and compared with predictions of the original laminar flow scaling study. Implications of this work for large current machines will be presented

  11. Shell Venster

    International Nuclear Information System (INIS)

    In the bi-monthly issues of 'Shell Venster' (window on Shell) attention is paid to the activities of the multinational petroleum company Shell Nederland and the Koninklijke/Shell Groep by means of non-specialist articles

  12. Quasi-atomic model of bacteriophage t7 procapsid shell: insights into the structure and evolution of a basic fold.

    Science.gov (United States)

    Agirrezabala, Xabier; Velázquez-Muriel, Javier A; Gómez-Puertas, Paulino; Scheres, Sjors H W; Carazo, José M; Carrascosa, José L

    2007-04-01

    The existence of similar folds among major structural subunits of viral capsids has shown unexpected evolutionary relationships suggesting common origins irrespective of the capsids' host life domain. Tailed bacteriophages are emerging as one such family, and we have studied the possible existence of the HK97-like fold in bacteriophage T7. The procapsid structure at approximately 10 A resolution was used to obtain a quasi-atomic model by fitting a homology model of the T7 capsid protein gp10 that was based on the atomic structure of the HK97 capsid protein. A number of fold similarities, such as the fitting of domains A and P into the L-shaped procapsid subunit, are evident between both viral systems. A different feature is related to the presence of the amino-terminal domain of gp10 found at the inner surface of the capsid that might play an important role in the interaction of capsid and scaffolding proteins. PMID:17437718

  13. High-precision atomic clocks with highly charged ions: nuclear spin-zero $f^{12}$-shell ions

    OpenAIRE

    Dzuba, V. A.; Derevianko, A; Flambaum, V. V.

    2012-01-01

    Optical atomic clocks using highly-charged ions hold an intriguing promise of metrology at the 19th significant figure. Here we study transitions within the $4f^{12}$ ground-state electronic configuration of highly charged ions. We consider isotopes lacking hyperfine structure and show that the detrimental effects of coupling of electronic quadrupole moments to gradients of trapping electric field can be effectively reduced by using specially chosen virtual clock transitions. The estimated sy...

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

    Science.gov (United States)

    Surzhykov, Andrey; Koval, Peter; Fritzsche, Stephan

    2005-01-01

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

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

    KAUST Repository

    Wang, Ruiqi

    2016-03-04

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

  16. QUARK DYNAMICS IN ATOMIC NUCLEI AND QUARK SHELLS Динамика кварков в атомных ядрах и кварковые оболочки

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2013-02-01

    Full Text Available In this article, we consider a system of Dirac equations describing the dynamics of quarks in the metric of the atomic nuclei. We found out, that the binding energy of the nucleons for all known nuclides depends on the content of the quarks. The resulting dependence of the energy of the nucleons shows a quark shells, similar electron shells

  17. QUARK DYNAMICS IN ATOMIC NUCLEI AND QUARK SHELLS Динамика кварков в атомных ядрах и кварковые оболочки

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2013-02-01

    Full Text Available In this paper we consider a system of Dirac equations describing the dynamics of quarks in the metric of the atomic nuclei. We found out, that the binding energy of the nucleons for all known nuclides depends on the content of the quarks. The resulting dependence of the energy of the nucleons shows a quark shells, similar to electron shells. Our basic assumption is that each nucleon in the nucleus loses its individuality by dissociation to individual quarks that form quark shells. These shells are filled sequentially, just as filled electron shells. Since the nucleons are composed of two types of quarks, there are two types of shells that are filled with u and d quarks, respectively. In this case, the binding energy per nucleon depends on the concentration of quarks in the shells and the energy of the interaction of quarks.

  18. Spectroscopic atom symbolism

    International Nuclear Information System (INIS)

    Quantum numbers are introduced of the individual electrons of a multi-electron atom as are the concepts of electron configuration and configuration state diagram. An atom is described in Russell-Saunders approximation using the vector model concept. Overall quantum numbers are introduced for the electron shell and their relationships are discussed to the quantum numbers of the individual shell electrons. (author)

  19. Theoretical description of atomic photoionization by attosecond XUV pulses in a strong laser field: the case of p-shell ionization

    International Nuclear Information System (INIS)

    A theoretical description of attosecond photoionization in the presence of a strong laser field, based on the numerical solution of the Schroedinger equation, is extended to the case of p-shell ionization. In particular, Ar(3p) photoionization is considered. The main difference between this case and the previously considered case of s-shell ionization stems from the interference of the two dipole allowed channels of p-shell photoionization, which determines the angular distribution of photoelectrons in the absence of the laser field. The latter additionally distorts the angular distributions. We also extend to the initial p-shell case the model based on the strong-field approximation (SFA), which has been suggested earlier. At high photoelectron energy and low laser intensity both calculations give similar results. However, at low electron energy the SFA is inadequate. The dependence of the angular distribution on the carrier-envelope phase and the effects of orbital polarization are considered

  20. Core–shell photoanode developed by atomic layer deposition of Bi2O3 on Si nanowires for enhanced photoelectrochemical water splitting

    International Nuclear Information System (INIS)

    Core–shell nanowire (NW) arrays, which feature a vertically aligned n-type Si NW core and a p-type α-Bi2O3 shell, are developed as a highly efficient photoanode that is suitable for water splitting. The morphology and structure of the heterostructure were characterized by scanning electron microscopy (SEM), energy-dispersive x-ray spectroscopy (EDS), high-resolution transmission electron microscopy (HRTEM), x-ray photoelectron spectroscopy (XPS), and x-ray diffraction (XRD). The deposition of Bi2O3 nanolayers on the surface of the smooth Si NWs causes the surface of the NWs to become rough. The as-prepared core–shell NW photoelectrode has a relatively low reflectance in the visible light region, suggesting good light absorption. The core–shell NW arrays show greatly improved photoelectrochemical water-splitting performance. Photoelectrochemical stability for over 16 h under constant light illumination and fixed bias potential was achieved, illustrating the good stability of this core–shell NW photoanode. These Si/Bi2O3 core–shell NW arrays effectively combine the light absorption ability of the Si NWs and the wide energy gap and chemical stability of Bi2O3 for water splitting. This study furthers the attempts to design photoanodes from low-cost, abundant materials for applications in water splitting and photovoltaics. (paper)

  1. Inner-shell ionization of heavy atoms by slow ions. A study of electronic relativistic effects and projectile Coulomb deflection in the Semiclassical Approximation

    International Nuclear Information System (INIS)

    Several investigations have been made on K and L shell ionization of the heavy collision partner in slow asymmetric collisions based on the SCA. The use of the SCA can only be defended for slow collisions if the projectile has a charge much less than the target. Thus this approximation should first be tested for proton impact on very heavy target elements. For these elements the inner shell electrons move sufficiently fast for a relativistic description to be mandatory. These relativistic effects are in themselves of some interest, as they can be quite large. After discussion of the formulation of the SCA used throughout this work, a further introduction is given on relativistic effects in Coulomb ionisation. Two papers on electronic relativistic effects in K and L shell ionization follow. The next two papers discuss calculations with an exact Coulomb projectile path. The latter of these also touches upon the inclusion of corrections to the SCA from terms beyond first order perturbation theory. In the last paper of this thesis it is shown how the theoretical apparatus developed for the SCA- calculations can immediately be used also for making calculations of more symmetric systems with the Briggs model. Thus, at least for direct ionization in very slow collisions a unification of the SA and MO approaches has apparently been reached. (JIW)

  2. Improved atomic data for electron-transport predictions by the codes TIGER and TIGERP. I. Inner-shell ionization by electron collision

    International Nuclear Information System (INIS)

    The inner-shell ionization data for electron-target collisions now in use in the TIGER and TIGERP electron-transport codes are extracted and compared with other data for these processes. The TIGER cross sections for K-shell ionization by electron collisions are found to be seriously in error for large-Z targets and incident electron energies greater than 1 MeV. A series of TIGER and TIGERP runs were carried out with and without improved K-shell electron ionization cross section data replacing that now in use. The relative importance of electron-impact and photon ionization of the various subshells was also extracted from these runs. In general, photon ionization dominated in the examples studied so the sensitivity of many predicted properties to errors in the electron-impact subshell ionization data was not large. However, some differences were found and, as all possible applications were not covered in this study, it is recommended that these electron-impact data now in TIGER and TIGERP be replaced. Cross section data for the processes under study are reviewed and those that are most suitable for this application are identified. 19 references, 9 figures, 2 tables

  3. Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of the projectile charge and velocity

    International Nuclear Information System (INIS)

    Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of projectile charge and velocity. Auger electron spectroscopy is used for an experimental investigation of ionization and excitation of lithium atoms by ions (Kr34+ and Ar18+) and electrons at high impact velocities (from 6 to 60 a.u.). In particular, relative contributions of the mechanisms responsible for lithium K-shell ionization-excitation are determined for various projectile charges Zp and velocities vp. A large range of perturbation parameters |Zp|/vp is explored (|Zp|/vp = 0,05 - 0,7 a.u.). From single K-shell excitation results, it appears that the projectile-electron interaction gives mainly rise to a dipole-like transition 1s -> np Concerning K-shell ionization-excitation, the separation of the TS2 (two independent projectile-electron interactions) and TS1 (one projectile-electron interaction) mechanisms responsible for the formation of the 2snp 1,3P and 2sns 1,3S lithium states is performed. In TS1 process, the projectile-electron interaction can be followed by an electron-electron interaction (dielectronic process) or by an internal rearrangement of the residual target after a sudden potential change (shake process). From Born theory, ab initio calculations are performed. The good agreement between theoretical and experimental results confirms the mechanism identification. For the production of P states, TS1 is found to be strongly dominant for small |Zp|/vp values and TS2 is found to be most important for large |Zp|/vp values. Since P states cannot be formed significantly via a shake process, the TS1 and TS2 separation provides a direct signature of the dielectronic process. On the other hand, the TS1 process is shown to be the unique process for producing the S states. At the moment, only the shake aspect of the TS1 process can explain the fact that the 2s3s configuration is preferentially

  4. The study of the action of self-friction field on the atom and molecular structures by using combined Hartree-Fock-Roothaan theory for closed and open shells of any symmetry

    Science.gov (United States)

    Mamedov, B. A.; Çopuroğlu, E.

    2016-06-01

    In this work, we study the effects of self-friction field on the states of a single configuration of closed and open shells by using the Combined Hartree-Fock-Roothaan equations for atomic-molecular and nuclear systems. Here, we present a program that implements the evaluation of the various properties of atoms and molecular systems with respect to the various values of self-friction quantum numbers. An especially fast and accurate algorithm for the calculation of the self-friction multicenter molecular integrals is obtained by using one-range addition theorems. To demonstrate the action of self-friction field on the atomic and molecular systems we have performed the calculations of H2O, CH3, CH2 and NH3 molecules. For the derivations of the orbital, kinetic and total energies and linear combination coefficients, the results are given for various values of self-friction quantum numbers. For various values of self-friction quantum numbers the obtained results of the orbital, kinetic and total energies and linear combination coefficients have been analyzed.

  5. Linear Depenedences of Van Der Waals, Covalent and Valence Shell Radii of Atoms of Groups 1a - 8a on their Bohr Radii

    OpenAIRE

    Heyrovska, Raji

    2007-01-01

    An earlier finding that the van der waals radii are related to their de broglie wavelengths for some non-metallic elements has been extended here to show that in fact, they vary linearly with the ground state bohr radii for all the elements of groups 1a to 8 a. Similarly, the valence shell radii and the covalent radii are shown to be linearly dependent on the bohr radii. One table of data and 5 figures have been provided here showing that all the above radii are sums of two lengths, one of wh...

  6. Shell supports

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2004-01-01

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

  7. Shelled opisthobranchs.

    Science.gov (United States)

    Mikkelsen, Paula M

    2002-01-01

    In his contributions to the monographic series "Manual of Conchology", Henry Pilsbry reviewed the subgroup Tectibranchiata, comprising those opisthobranch snails that (at least primitively) still possess a shell (Pilsbry, 1894-1896). Exemplified by the Cephalaspidea (bubble shells), others included in this group at Pilsbry's time and since were Anaspidea (sea hares) and the shelled members of Notaspidea (side-gilled slugs) and Sacoglossa (leaf slugs). Pilsbry (and others since his time) considered tectibranchs to be the "root stock" from which more advanced gastropods such as Nudibranchia and Pulmonata were derived. Tectibranch systematics is firmly based on conchology and most species were originally described from empty shells. However, soft-anatomical characters were acknowledged quite early on as equally important in tectibranchs, due to the reduction of their shells and their evolutionary proximity to unshelled gastropods. Today, Tectibranchiata is not recognized as a natural taxon although the word "tectibranch" (like "prosobranch" and "mesogastropod") continues in vernacular use. Shelled opisthobranchs have been redistributed among various taxa, including several new ones--the unresolved basal opisthobranchs (Architectibranchia) and the "lower Heterobranchia", an enigmatic and currently much-studied group of families considered basal to all of Euthyneura (Opisthobranchia and landsnails (Pulmonata)). Despite their polyphyletic status, shelled opisthobranchs remain important subjects in evolutionary studies of gastropods--as the most basal members of nearly every opisthobranch clade and as organisms with mosaic combinations of primitive and derived features within evolutionary "trends" (e.g., loss of the shell, detorsion, concentration of the nervous system, ecological specialization, etc.). Although they play a pivotal role, the shelled opisthobranchs have received minimal attention in more comprehensive gastropod studies, often relegated to token

  8. Linear Depnedences of Van Der Waals, Covalent and Valence Shell Radii of Atoms of Groups 1a - 8a on their Bohr Radii

    CERN Document Server

    Heyrovska, Raji

    2007-01-01

    An earlier finding that the van der waals radii are related to their de broglie wavelengths for some non-metallic elements has been extended here to show that in fact, they vary linearly with the ground state bohr radii for all the elements of groups 1a to 8 a. Similarly, the valence shell radii and the covalent radii are shown to be linearly dependent on the bohr radii. One table of data and 5 figures have been provided here showing that all the above radii are sums of two lengths, one of which is a multiple of the bohr radius and the other, a positive or negative constant for each group of elements.

  9. Particles and Shells

    CERN Document Server

    Palazzi, P

    2003-01-01

    The current understanding of particle masses in terms of quarks and their binding energy is not satisfactory. Both in atoms and in nuclei the organizing principle of stability is the shell structure, while this does not seem to play any role for particles. In order to explore the possibility that shells might also be relevant at this inner level of aggregation, atomic and nuclear stability are expressed by "stablines", alignments of the 1/3 power of the total number of constituents of the most stable configurations. Could similar patterns be found in the particle spectrum? By analyzing the distribution of particle lifetimes as a function of mass, stability peaks are recognized for mesons and for baryons and indeed the cube roots of their masses follow two distinct stablines. Such alignments would be a strong indication that the particles themselves are shell structured assuming only that each constituent contributes a constant amount to the total mass. This is incompatible with the prevalent view that the par...

  10. Atomic Bremsstrahlung in ion-atom collisions (stripping)

    International Nuclear Information System (INIS)

    Atomic Bremsstrahlung produced in high energy (non relativistic) ion-atom collisions including retardation effects is studied. Mechanical states of the system are described by the symmetrical eikonal approximation and Hartree-Fock electronic wave functions for the calculation of the shape factor of each atom. Photon energy spectra are presented for collisions of protons against noble gases, Ne, Ar, Kr and Xe. The contribution of each atomic shell to these spectra is studied, where lowest shell (1s) corresponds to the hard X-ray region and the higher shells correspond to lower photon energies. (Author)

  11. Knowledge Led Master Code Search for Atomic and Electronic Structures of LaF3 Nanoclusters on Hybrid Rigid Ion-Shell Model-DFT Landscapes

    OpenAIRE

    Woodley, S. M.

    2013-01-01

    Stable and metastable atomic configurations of stoichiometric (LaF3)n nanoclusters are obtained for n = 1 to 6 using Monte Carlo global optimization techniques implemented in newly developed software. All configurations are refined using an all-electron DFT approach with the PBEsol exchange and correlation functional. To reduce the computational cost, approximate configurations were initially filtered out using a basin hopping algorithm that was biased toward finding either the global minimum...

  12. Shell worlds

    Science.gov (United States)

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

    2013-02-01

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

  13. High efficiency n-Si/ p-Cu2O core-shell nanowires photodiode prepared by atomic layer deposition of Cu2O on well-ordered Si nanowires array

    Science.gov (United States)

    Kim, Hangil; Kim, Soo-Hyun; Ko, Kyung Yong; Kim, Hyungjun; Kim, Jaehoon; Oh, Jihun; Lee, Han-Bo-Ram

    2016-05-01

    A highly efficient n-Si/ p-Cu2O core-shell (C-S) nanowire (NW) photodiode was fabricated using Cu2O grown by atomic layer deposition (ALD) on a well-ordered Si NW array. Ordered Si nanowires arrays were fabricated by nano-sphere lithography to pattern metal catalysts for the metal-assisted etching of silicon, resulting in a Si NW arrays with a good arrangement, smooth surface and small diameter distribution. The ALD-Cu2O thin films were grown using a new non-fluorinated Cu precursor, bis(1-dimethylamino-2-methyl-2-butoxy)copper (C14H32N2O2Cu), and water vapor (H2O) at 140°C. Transmission electron microscopy equipped with an energy dispersive spectrometer confirmed that p-Cu2O thin films had been coated over arrayed Si NWs with a diameter of 150 nm (aspect ratio of ˜7.6). The C-S NW photodiode exhibited more sensitive photodetection performance under ultraviolet illumination as well as an enhanced photocurrent density in the forward biasing region than the planar structure diode. The superior performance of C-S NWs photodiode was explained by the lower reflectance of light and the effective carrier separation and collection originating from the C-S NWs structure. [Figure not available: see fulltext.

  14. Strontium clusters: electronic and geometry shell effects

    DEFF Research Database (Denmark)

    Lyalin, Andrey G.; Solov'yov, Ilia; Solov'yov, Andrey V.;

    2008-01-01

    charged strontium clusters consisting of up to 14 atoms, average bonding distances, electronic shell closures, binding energies per atom, and spectra of the density of electronic states (DOS). It is demonstrated that the size-evolution of structural and electronic properties of strontium clusters is...

  15. Shell corrections in stopping powers

    Science.gov (United States)

    Bichsel, H.

    2002-05-01

    One of the theories of the electronic stopping power S for fast light ions was derived by Bethe. The algorithm currently used for the calculation of S includes terms known as the mean excitation energy I, the shell correction, the Barkas correction, and the Bloch correction. These terms are described here. For the calculation of the shell corrections an atomic model is used, which is more realistic than the hydrogenic approximation used so far. A comparison is made with similar calculations in which the local plasma approximation is utilized. Close agreement with the experimental data for protons with energies from 0.3 to 10 MeV traversing Al and Si is found without the need for adjustable parameters for the shell corrections.

  16. Study on atomic layer deposition preparation of core-shell structured nanometer materials%原子层沉积方法制备核-壳型纳米材料研究

    Institute of Scientific and Technical Information of China (English)

    李勇; 李惠琪; 夏洋; 刘邦武

    2013-01-01

    Monocrystal Pt nanoparticles, amorphous Al2O3 thin film, polycrystalline ZnO and TiO2 thin films were fabricated on black carbon nanoparticles by means of atomic layer deposition (ALD). Using high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectrometer (XPS), energy dispersive spectroscopy (EDS), We have characterized and analyzed the surface morphology, crystal structure and composition of the ranopasticles and thin filins. Results indicate that the ALD method is an ideal method to prepare core-shell stuctured nanometer materials. In addition, the reasons why the formation of ALD films with different crystal morphologies, such as monocrystal, amorphous, polycrystalline, were discussed.%采用原子层沉积方法在碳黑纳米颗粒表面分别沉积Al2 O3, ZnO, TiO2和Pt,成功制备出核-壳型纳米材料。通过高分辨率透射电子显微镜、X射线光电子能谱仪、能谱仪对材料的表面形貌、晶体结构、薄膜成分进行了表征和分析。结果表明,原子层沉积方法是制备核壳型纳米材料的理想方法。此外,还分析了采用原子层沉积方法沉积不同材料,所生长的薄膜材料有单晶、多晶、非晶等多种存在形式的形成原因。

  17. Atomic inner shell ionization: a new method of nuclear interaction lifetimes in the range 10-16-10-18 second. Lifetime measurement of the compound nucleus in the reaction 106Cd+p (Ep=10 and 12 MeV)

    International Nuclear Information System (INIS)

    A new method to measure the lifetime of the compound nucleus formed in the reaction 106Cd+p at Ep=10 and 12 MeV is described. The nuclear lifetime is compared to the known lifetime of an atomic inner shell vacancy created in the entrance channel of the nuclear reaction. If the ionization probability in he way-in of the nuclear reaction is kown the compound nucleus lifetime is deduced by a simple relation from the number of compound X-rays measured in coincidence with one of the reaction products. A large number of ionization probability values measured in very small impact parameter collisions induced by H+, He+, D+ on Al, Cu, S, Ti, Si, Ag, Cd are reported. The data are interpreted in terms of the corrected SCA theory of ionization. New effects such as angular dependence and trajectory effect (hair-pin-curve effect) are shown experimentally. The influence of a nuclear delay time on the ionization probability value is considered; the effect on a nuclear reaction of the energy losses by the projectile during the ionization process is analysed in detail. The yield curve of the resonant nuclear reaction 27Al(p,γ)28Si is taken as an example. A detailed analysis of the compound nucleus 107In lifetimes is given. Attention has been paid to competitive processes leading to X ray emission of same energy as the compound X rays. Extensions of the method to measure compound nucleus lifetimes in collision induced by heavy ions and to separate the shape elastic and compound elastic mechanisms are presented

  18. Open shells in reduced-density-matrix-functional theory

    OpenAIRE

    Lathiotakis, N. N.; Helbig, N.; Gross, E. K. U.

    2005-01-01

    Reduced-density-matrix-functional theory is applied to open-shell systems. We introduce a spin-restricted formulation by appropriately expressing approximate correlation-energy functionals in terms of spin-dependent occupation numbers and spin-independent natural orbitals. We demonstrate that the additional constraint of total-spin conservation is indispensable for the proper treatment of open-shell systems. The formalism is applied to the first-row open-shell atoms. The obtained ground-state...

  19. A study of the kinetic energy density functional for atoms

    International Nuclear Information System (INIS)

    This paper studies the rigorous kinetic energy density functional at the level of the Hartree-Fock method for closed electron shell atoms. The behaviour of the kinetic energy and its components, is analysed as the atomic number N increases. It is shown that the increments of the specific energies for two consecutive closed electron shells atoms depend distinctly on the electron configuration of the last electron shell. 35 refs, 1 fig., 4 tabs

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

    Science.gov (United States)

    Talbot, Christopher; Neo, Choo Tong

    2013-01-01

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

  1. Nuclear and atomic models

    International Nuclear Information System (INIS)

    A theorem concerning fermion interaction is postulated and applied to the problems of atomic (electronic) and nuclear physics. Model building based solely upon the postulate that adjacent like fermions must be singlet paired accounts for the closed shells of both nuclear and atomic structure. The implied antiferromagnetic FCC lattice of protons and neutrons in alternating layers has been found by previous workers to be the lowest-energy solid configuration of nuclear matter (N = P). The buildup of the FCC lattice from a central tetrahedron reproduces all of the shells and subshells of the isotropic harmonic oscillator, which is the basis for the shell model. In atomic structure, the singlet pairing of adjacent electrons implies closed-shell structures uniquely at the six noble gases and the three noble metals, Ni, Pd, and Pt. The basis for the postulate concerning fermions is found in terms of classical electrodynamics; it is a microscopic corollary of Biot-Savart's law that parallel currents attract whereas antiparallel currents repel. (author)

  2. 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...

  3. Interaction of a slow monopole with a hydrogen atom

    OpenAIRE

    Shnir, Ya. M.

    1996-01-01

    The electric dipole moment of the hydrogen-like atom induced by a monopole moving outside the electron shell is calculated. The correction to the energy of the ground state of the hydrogen atom due to this interaction is calculated.

  4. Simple and Onion-type Fullerenes shells as resonators and amplifiers

    CERN Document Server

    Amusia, M Ya

    2009-01-01

    We discuss the influence of a single or double fullerenes shell upon photoionization and vacancy decay of an atom, stuffed inside the fullerenes construction. The main manifestations of this influence are additional structures in the photoionization cross-section and variation of the vacancy decay probability. The main mechanisms, with which fullerenes shells affect the processes in caged atoms is the scattering of the outgoing electrons by the fullerenes shell and modification of the photon beam due to fullerenes shell polarization. General consideration will be illustrated by numeric calculations where C60 and C240 will be chosen as fullerenes and Ar and Xe as caged atoms.

  5. Deeply bound pionic atom

    International Nuclear Information System (INIS)

    The standard method of pionic atom formation does not produce deeply bound pionic atoms. A study is made on the properties of deeply bound pionic atom states by using the standard pion-nucleus optical potential. Another study is made to estimate the cross sections of the formation of ls pionic atom states by various methods. The pion-nucleus optical potential is determined by weakly bound pionic atom states and pion nucleus scattering. Although this potential may not be valid for deeply bound pionic atoms, it should provide some hint on binding energies and level widths of deeply bound states. The width of the ls state comes out to be 0.3 MeV and is well separated from the rest. The charge dependence of the ls state is investigated. The binding energies and the widths increase linearly with Z azbove a Z of 30. The report then discusses various methods to populate deeply bound pionic atoms. In particular, 'pion exchange' reactions are proposed. (n, pπ) reaction is discussed first. The cross section is calculated by assuming the in- and out-going nucleons on-shell and the produced pion in (n1) pionic atom states. Then, (n, dπ-) cross sections are estimated. (p, 2Heπ-) reaction would have cross sections similar to the cross section of (n, dπ-) reaction. In conclusion, it seems best to do (n, p) experiment on heavy nuclei for deeply bound pionic atom. (Nogami, K.)

  6. Atomic physics with highly charged ions

    International Nuclear Information System (INIS)

    This report discusses: One electron outer shell processes in fast ion-atom collisions; role of electron-electron interaction in two-electron processes; multi-electron processes at low energy; multi-electron processes at high energy; inner shell processes; molecular fragmentation studies; theory; and, JRM laboratory operations

  7. Simple and Onion-type Fullerenes shells as resonators and amplifiers

    OpenAIRE

    Amusia, M. Ya.

    2009-01-01

    We discuss the influence of a single or double fullerenes shell upon photoionization and vacancy decay of an atom, stuffed inside the fullerenes construction. The main manifestations of this influence are additional structures in the photoionization cross-section and variation of the vacancy decay probability. The main mechanisms, with which fullerenes shells affect the processes in caged atoms is the scattering of the outgoing electrons by the fullerenes shell and modification of the photon ...

  8. Photoexcitation of K-shell and L-shell Hollow Beryllium

    International Nuclear Information System (INIS)

    We have observed K-shell and L-shell hollow beryllium atoms (2s22p3s and 1s3s23p) created by photoexcitation using synchrotron radiation. Resonance shapes were fitted to the Fano profile and the parameters were deduced. A Dirac-Fock calculation was performed to identify the configuration of the peaks and to predict other hollow atomic peaks. The results of the calculation were in good agreement with the experimental data. The comparison of the transition strength has revealed that the three-electron photoexcitation to the 1s3s23p configuration is stronger than the two-electron photoexcitation to the 2s22p3s configuration. This is attributed to the large overlap between the 2s orbital of the ground state (1s22s2) with the 3s orbital of the L-shell hollow state (1s3s23p)

  9. Engineered inorganic core/shell nanoparticles

    International Nuclear Information System (INIS)

    It has been for a long time recognized that nanoparticles are of great scientific interest as they are effectively a bridge between bulk materials and atomic structures. At first, size effects occurring in single elements have been studied. More recently, progress in chemical and physical synthesis routes permitted the preparation of more complex structures. Such structures take advantages of new adjustable parameters including stoichiometry, chemical ordering, shape and segregation opening new fields with tailored materials for biology, mechanics, optics magnetism, chemistry catalysis, solar cells and microelectronics. Among them, core/shell structures are a particular class of nanoparticles made with an inorganic core and one or several inorganic shell layer(s). In earlier work, the shell was merely used as a protective coating for the core. More recently, it has been shown that it is possible to tune the physical properties in a larger range than that of each material taken separately. The goal of the present review is to discuss the basic properties of the different types of core/shell nanoparticles including a large variety of heterostructures. We restrict ourselves on all inorganic (on inorganic/inorganic) core/shell structures. In the light of recent developments, the applications of inorganic core/shell particles are found in many fields including biology, chemistry, physics and engineering. In addition to a representative overview of the properties, general concepts based on solid state physics are considered for material selection and for identifying criteria linking the core/shell structure and its resulting properties. Chemical and physical routes for the synthesis and specific methods for the study of core/shell nanoparticle are briefly discussed

  10. Elastic Platonic Shells

    OpenAIRE

    Yong, Ee; Nelson, David R.; Mahadevan, Lakshminarayanan

    2013-01-01

    On microscopic scales, the crystallinity of flexible tethered or cross-linked membranes determines their mechanical response. We show that by controlling the type, number, and distribution of defects on a spherical elastic shell, it is possible to direct the morphology of these structures. Our numerical simulations show that by deflating a crystalline shell with defects, we can create elastic shell analogs of the classical platonic solids. These morphologies arise via a sharp buckling transit...

  11. Shell-like structures

    CERN Document Server

    Altenbach, Holm

    2011-01-01

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

  12. Fisher Information and Atomic Structure

    CERN Document Server

    Chatzisavvas, K Ch; Panos, C P; Moustakidis, Ch C

    2013-01-01

    We present a comparative study of several information and statistical complexity measures in order to examine a possible correlation with certain experimental properties of atomic structure. Comparisons are also carryed out quantitatively using Pearson correlation coefficient. In particular, we show that Fisher information in momentum space is very sensitive to shell effects, and is directly associated with some of the most characteristic atomic properties, such as atomic radius, ionization energy, electronegativity, and atomic dipole polarizability. Finally we present a relation that emerges between Fisher information and the second moment of the probability distribution in momentum space i.e. an energy functional of interest in (e,2e) experiments.

  13. Thin shell model revisited

    CERN Document Server

    Gao, Sijie

    2014-01-01

    We reconsider some fundamental problems of the thin shell model. First, we point out that the "cut and paste" construction does not guarantee a well-defined manifold because there is no overlap of coordinates across the shell. When one requires that the spacetime metric across the thin shell is continuous, it also provides a way to specify the tangent space and the manifold. Other authors have shown that this specification leads to the conservation laws when shells collide. On the other hand, the well-known areal radius $r$ seems to be a perfect coordinate covering all regions of a spherically symmetric spacetime. However, we show by simple but rigorous arguments that $r$ fails to be a coordinate covering a neighborhood of the thin shell if the metric across the shell is continuous. When two spherical shells collide and merge into one, we show that it is possible that $r$ remains to be a good coordinate and the conservation laws hold. To make this happen, different spacetime regions divided by the shells must...

  14. Arithmetic aspects of atomic structures

    International Nuclear Information System (INIS)

    The purpose of this presentation is to give an updated account of some on-going work related to the theory of large atoms in the context of large-Z asymptotics, which began over the last decade or so. The goal of that work is to produce a refined version of the Thomas-Fermi theory that accounts for observed physical features such as electronic orbitals or an atomic shell structure. This presents similarities with issues in quantum chaos. (orig.)

  15. Synthesis and Characterization of Monodisperse Metallodielectric SiO2@Pt@SiO2 Core-Shell-Shell Particles.

    Science.gov (United States)

    Petrov, Alexey; Lehmann, Hauke; Finsel, Maik; Klinke, Christian; Weller, Horst; Vossmeyer, Tobias

    2016-01-26

    Metallodielectric nanostructured core-shell-shell particles are particularly desirable for enabling novel types of optical components, including narrow-band absorbers, narrow-band photodetectors, and thermal emitters, as well as new types of sensors and catalysts. Here, we present a facile approach for the preparation of submicron SiO2@Pt@SiO2 core-shell-shell particles. As shown by transmission and scanning electron microscopy, the first steps of this approach allow for the deposition of closed and almost perfectly smooth platinum shells onto silica cores via a seeded growth mechanism. By choosing appropriate conditions, the shell thickness could be adjusted precisely, ranging from ∼3 to ∼32 nm. As determined by X-ray diffraction, the crystalline domain sizes of the polycrystalline metal shells were ∼4 nm, regardless of the shell thickness. The platinum content of the particles was determined by atomic absorption spectroscopy and for thin shells consistent with a dense metal layer of the TEM-measured thickness. In addition, we show that the roughness of the platinum shell strongly depends on the storage time of the gold seeds used to initiate reductive platinum deposition. Further, using polyvinylpyrrolidone as adhesion layer, it was possible to coat the metallic shells with very homogeneous and smooth insulating silica shells of well-controlled thicknesses between ∼2 and ∼43 nm. After depositing the particles onto silicon substrates equipped with interdigitated electrode structures, the metallic character of the SiO2@Pt particles and the insulating character of the SiO2 shells of the SiO2@Pt@SiO2 particles were successfully demonstrated by charge transport measurements at variable temperatures. PMID:26731341

  16. Conversion probabilities of low-energy (ℎω≤3 keV) nuclear transitions in the electron shells of free atoms. Article translated from Journal Yadernye Konstanty (Nuclear Constants). Series: Nuclear Constants, Issue No. 1, 1987

    International Nuclear Information System (INIS)

    Conversion of some low-energy transitions (ℎω≤3 keV) in the nuclei 90Nb, 99Tc, 103Ru, 110Ag, 140Pr, 142Pr, 153Gd, 159Gd, 160Tb, 165Tm, 171Lu, 173W, 188Re, 193Pt, 201Hg, 205Pb, 236Pa and 250Bk are investigated for the case of an isolated atom. The conversion transition probabilities are calculated using the electron wave functions, obtained through numerical integration of the Dirac equations in the atomic field within the framework of the Hartree-Fock-Slater method. The calculation is carried out for the normal configuration of the valence band of the aforementioned atoms. The calculation results are tabulated in this paper. (author)

  17. New polymer target-shell properties and characterizations

    International Nuclear Information System (INIS)

    A method for characterizing ICF target shells is presented, based on measurement of the gas released from a single shell into a small volume. It utilizes cryogenic permeation systems developed in connection with our work on ICF targets containing nuclear spin-polarized deuterium. Permeation rates for polystyrene and parylene-coated-polystyrene shells are measured at temperatures from 350K down to 180K. Burst or implosion pressure can be determined over a full temperature range down to 20K. Shell temperature is calculated from its gas leakage rate, calibrated by permeation measurements over the temperature range. Lag of shell temperature compared with sample-chamber temperature during warming of the latter is attributed to the weakness of the thermal link provided by both radiative heat transfer and free molecular conduction with small accommodation coefficients for helium and deuterium gas at the structure to which the shell is conductively linked, or at the surface of a conductively isolated shell. Quantification of this lag can provide a measure of atomic scale roughness of the shell outer surface. Also presented are reversible pre-rupture leakage phenomena for polystyrene and parylene-coated-polystyrene shells

  18. Composite shells with interlaminar imperfections

    OpenAIRE

    Wozniak, Czeslaw; Wozniak, Margaret

    1993-01-01

    In this contribution the effect of interlaminar initial imperfections on a composite shell behavior is investigated. The constitutive equations for shells with initial interlaminar bonding imperfections are obtained.

  19. Measurement of vacancy transfer probability from K to L shell using K-shell fluorescence yields

    Indian Academy of Sciences (India)

    Ö Söğüt; E Büyükkasap; A Küçükönder; T Tarakçioğlu

    2009-10-01

    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 with a high resolution Si(Li) detector. The measurement of vacancy transfer probabilities are least-squared fitted to second-order polynomials to obtain analytical relations that represent these probabilities as a function of atomic number. The obtained results agree with theoretical and fitted values.

  20. Nuclear shell theory

    CERN Document Server

    de-Shalit, Amos; Massey, H S W

    1963-01-01

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

  1. C-Shell Cookbook

    Science.gov (United States)

    Currie, Malcolm J.

    This cookbook describes the fundamentals of writing scripts using the UNIX C shell. It shows how to combine Starlink and private applications with shell commands and constructs to create powerful and time-saving tools for performing repetitive jobs, creating data-processing pipelines, and encapsulating useful recipes. The cookbook aims to give practical and reassuring examples to at least get you started without having to consult a UNIX manual. However, it does not offer a comprehensive description of C-shell syntax to prevent you from being overwhelmed or intimidated. The topics covered are: how to run a script, defining shell variables, prompting, arithmetic and string processing, passing information between Starlink applications, obtaining dataset attributes and FITS header information, processing multiple files and filename modification, command-line arguments and options, and loops. There is also a glossary.

  2. Continuum Shell Model

    OpenAIRE

    Volya, Alexander; Zelevinsky, Vladimir

    2005-01-01

    The Continuum Shell Model is an old but recently revived method that traverses the boundary between nuclear many-body structure and nuclear reactions. The method is based on the non-Hermitian energy-dependent effective Hamiltonian. The formalism, interpretation of solutions and practical implementation of calculations are discussed in detail. The results of the traditional shell model are fully reproduced for bound states; resonance parameters and cross section calculations are presented for ...

  3. Dynamic Analysis of Shells

    Directory of Open Access Journals (Sweden)

    Charles R. Steele

    1995-01-01

    Full Text Available Shell structures are indispensable in virtually every industry. However, in the design, analysis, fabrication, and maintenance of such structures, there are many pitfalls leading to various forms of disaster. The experience gained by engineers over some 200 years of disasters and brushes with disaster is expressed in the extensive archival literature, national codes, and procedural documentation found in larger companies. However, the advantage of the richness in the behavior of shells is that the way is always open for innovation. In this survey, we present a broad overview of the dynamic response of shell structures. The intention is to provide an understanding of the basic themes behind the detailed codes and stimulate, not restrict, positive innovation. Such understanding is also crucial for the correct computation of shell structures by any computer code. The physics dictates that the thin shell structure offers a challenge for analysis and computation. Shell response can be generally categorized by states of extension, inextensional bending, edge bending, and edge transverse shear. Simple estimates for the magnitudes of stress, deformation, and resonance in the extensional and inextensional states are provided by ring response. Several shell examples demonstrate the different states and combinations. For excitation frequency above the extensional resonance, such as in impact and acoustic excitation, a fine mesh is needed over the entire shell surface. For this range, modal and implicit methods are of limited value. The example of a sphere impacting a rigid surface shows that plastic unloading occurs continuously. Thus, there are no short cuts; the complete material behavior must be included.

  4. Shells in the Magellanic System

    OpenAIRE

    Stanimirovic, Snezana

    2006-01-01

    The Magellanic System harbors >800 expanding shells of neutral hydrogen, providing a unique opportunity for statistical investigations. Most of these shells are surprisingly young, 2--10 Myr old, and correlate poorly with young stellar populations. I summarize what we have learned about shell properties and particularly focus on the puzzling correlation between the shell radius and expansion velocity. In the framework of the standard, adiabatic model for shell evolution this tight correlation...

  5. Multi-Shell Hollow Nanogels with Responsive Shell Permeability

    Science.gov (United States)

    Schmid, Andreas J.; Dubbert, Janine; Rudov, Andrey A.; Pedersen, Jan Skov; Lindner, Peter; Karg, Matthias; Potemkin, Igor I.; Richtering, Walter

    2016-03-01

    We report on hollow shell-shell nanogels with two polymer shells that have different volume phase transition temperatures. By means of small angle neutron scattering (SANS) employing contrast variation and molecular dynamics (MD) simulations we show that hollow shell-shell nanocontainers are ideal systems for controlled drug delivery: The temperature responsive swelling of the inner shell controls the uptake and release, while the thermoresponsive swelling of the outer shell controls the size of the void and the colloidal stability. At temperatures between 32 °C < T < 42 °C, the hollow nanocontainers provide a significant void, which is even larger than the initial core size of the template, and they possess a high colloidal stability due to the steric stabilization of the swollen outer shell. Computer simulations showed, that temperature induced switching of the permeability of the inner shell allows for the encapsulation in and release of molecules from the cavity.

  6. Synergetic effect of organic cores and inorganic shells for core/shell structured composite abrasives for chemical mechanical planarization

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yang, E-mail: cy.jpu@126.com [School of Materials Science and Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Li, Zhina [School of Materials Science and Engineering, Changzhou University, Changzhou, Jiangsu 213164 (China); Miao, Naiming [School of Mechanical Engineering, Changzhou University, Changzhou, Jiangsu 213016 (China)

    2014-09-30

    Highlights: • The damage-free polishing mechanism of core/shell composite abrasive was explored. • The organic core is help to decrease surface roughness and mechanical damages. • The inorganic shell is in favor of improving material removal rate. • The enhanced CMP behavior is due to the synergistic effect between core and shell. - Abstract: Core/shell structured organic/inorganic composite microspheres has an important potential application in efficient and damage-free chemical mechanical planarization/polishing (CMP) as a kind of novel abrasive due to its uniform non-rigid mechanical property. However, the synergistic effect of material removal between organic cores and inorganic shells of composite abrasives is ambiguous. In this work, oxide-CMP performances of various slurries, containing polystyrene (PS) spheres, solid abrasives (SiO{sub 2} or CeO{sub 2}), mixed abrasives ((PS + SiO{sub 2}) or (PS + CeO{sub 2})), core/shell composites (PS/SiO{sub 2} or PS/CeO{sub 2}), were investigated by atomic force microscopy. Experiment results indicated that the surfaces polished by composite abrasives exhibited lower surface roughness, fewer scratches as well as lower topographical variations than those by other type of abrasives. The core/shell structure of composite abrasives plays an important role in improving CMP behavior. Moreover, the organic cores are mainly beneficial to decrease surface roughness and mechanical damages, and the inorganic shells are in favor of improving material removal rate.

  7. Synergetic effect of organic cores and inorganic shells for core/shell structured composite abrasives for chemical mechanical planarization

    International Nuclear Information System (INIS)

    Highlights: • The damage-free polishing mechanism of core/shell composite abrasive was explored. • The organic core is help to decrease surface roughness and mechanical damages. • The inorganic shell is in favor of improving material removal rate. • The enhanced CMP behavior is due to the synergistic effect between core and shell. - Abstract: Core/shell structured organic/inorganic composite microspheres has an important potential application in efficient and damage-free chemical mechanical planarization/polishing (CMP) as a kind of novel abrasive due to its uniform non-rigid mechanical property. However, the synergistic effect of material removal between organic cores and inorganic shells of composite abrasives is ambiguous. In this work, oxide-CMP performances of various slurries, containing polystyrene (PS) spheres, solid abrasives (SiO2 or CeO2), mixed abrasives ((PS + SiO2) or (PS + CeO2)), core/shell composites (PS/SiO2 or PS/CeO2), were investigated by atomic force microscopy. Experiment results indicated that the surfaces polished by composite abrasives exhibited lower surface roughness, fewer scratches as well as lower topographical variations than those by other type of abrasives. The core/shell structure of composite abrasives plays an important role in improving CMP behavior. Moreover, the organic cores are mainly beneficial to decrease surface roughness and mechanical damages, and the inorganic shells are in favor of improving material removal rate

  8. Atom Chips

    CERN Document Server

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

    1999-01-01

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

  9. Dynamical polarizability of atoms

    International Nuclear Information System (INIS)

    The frequency-dependent polarizability of a closed-shell atom is considered in an RPA type approximation. This is usually done using many-body perturbation theory but can also be recast into the form of equations for the density oscillations as previously shown by the authors. The latter approach is known to lead to a non-hermitian problem because of the structure of the interaction kernel. This note shows that this is also true if using the reaction matrix method. The main result is to derive the expression for the polarizability function taking into account the non-hermitian nature of the problem. (author)

  10. Formulation of the Strutinsky's averaging method in Hartree-Fock-Roothaan framework: Open Shell Systems

    International Nuclear Information System (INIS)

    Strutinsky's shell-correction method is applied in the framework of the Hartree-Fock method developed by Roothaan (HFR) in the atoms and ions with an open shell. Applying the Strutinsky energy averaging to the density matrix define a self-consistently average HFR system as a solution of the variational problem. We derive the explicit expressions for the shell corrections. 3 refs. (author)

  11. Atom Probe Tomographic Mapping Directly Reveals the Atomic Distribution of Phosphorus in Resin Embedded Ferritin

    Science.gov (United States)

    Perea, Daniel E.; Liu, Jia; Bartrand, Jonah; Dicken, Quinten; Thevuthasan, S. Theva; Browning, Nigel D.; Evans, James E.

    2016-02-01

    Here we report the atomic-scale analysis of biological interfaces within the ferritin protein using atom probe tomography that is facilitated by an advanced specimen preparation approach. Embedding ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualise atomic distributions and distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell, as well as the organic-organic interface between the ferritin protein shell and embedding resin. In addition, we definitively show the atomic-scale distribution of phosphorus as being at the surface of the ferrihydrite mineral with the distribution of sodium mapped within the protein shell environment with an enhanced distribution at the mineral/protein interface. The sample preparation method is robust and can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment.

  12. A study of K shell X-ray intensity ratios of NixCr1−x alloys in external magnetic field and determination of effective atomic numbers of these alloys

    International Nuclear Information System (INIS)

    In this study, the effect of external magnetic field on the Kβ/Kα X-ray intensity ratios of various alloy compositions of Ni–Cr transition metal alloys has been investigated. The Kα and Kβ emission spectra of Ni, Cr and NixCr1−x (x=0.40; 0.50; 0.60; 0.80) alloys were measured by using a Si (Li) solid-state detector. Kβ/Kα X-ray intensity ratios of Ni, Cr and NixCr1−x alloys without magnetic field and in 0.5 and 1 T external magnetic field have been measured following excitation by 59.5 keV γ-rays from a 200 mCi241Am radioisotope point source. When the experimental data obtained in external magnetic field have been compared with data without external magnetic field, deviations have been observed in Kβ/Kα X-ray intensity ratios for Ni and Cr in different alloy compositions. Thus, results of these measurements have shown that Kβ/Kα X-ray intensity ratios of Ni and Cr in NixCr1−x alloys are dependent on the external magnetic field. Also the total mass attenuation coefficients for pure 3d transition metals and their alloys at different compositions were measured and theoretically estimated using mixture rule for selected photon energy. Later on, total atomic and electronic cross-sections and effective atomic number for alloys are determined experimentally and theoretically using these mass attenuation coefficients. When these parameters are examined depending on the alloy compositions, thereof have been found to vary with the alloy composition. - Highlights: • The external magnetic field effect on the K X-ray intensity ratios of some Ni–Cr alloys is investigated. • The changes on Kβ/Kα X-ray intensity ratios of the alloys are observed depending on concentrations of the elements constituting the alloys and external magnetic field intensity. • The Ze is depending on the concentrations of the elements constituting the alloys

  13. Search for next neutron shell closure in superheavy region

    International Nuclear Information System (INIS)

    The stability of the heaviest and superheavy elements have been a long-standing fundamental question in nuclear science. Theoretically, the mere existence of the heaviest elements with Z > 104 is entirely due to the quantal shell effects. If the heaviest nuclei were governed by the classical liquid drop model, they would fission immediately from their ground states due to the large electric charge. However in the mid 1960s, with the invention of the shell-correction method, it was realized that atomic numbers could exist due to the strong shell stabilization. Most of the heaviest elements found recently are believed to be well deformed. Since in the region of superheavy elements the single particle level density is relatively large, small shifts in position of single particle gaps and be crucial for determining the shell stability of the nucleus

  14. Metal shell technology based upon hollow jet instability

    International Nuclear Information System (INIS)

    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. We describe a technology for the production of shells based upon the hydrodynamic instability of an annular jet of molten metal. We have produced shells in the 0.7--2.0 mm size range 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

  15. Investigation of physical vapor deposition techniques of conformal shell coating for core/shell structures by Monte Carlo simulations

    International Nuclear Information System (INIS)

    Vertically aligned core/shell nanowire (nanorod) arrays are favorable candidates in many nano-scale devices such as solar cells, detectors, and integrated circuits. The quality of the shell coating around nanowire arrays is as crucial as the quality of the nanowires in device applications. For this reason, we worked on different physical vapor deposition (PVD) techniques and conducted Monte Carlo simulations to estimate the best deposition technique for a conformal shell coating. Our results show that a small angle (≤ 45°) between incoming flux of particles and the substrate surface normal is necessary for PVD techniques with a directional incoming flux (e.g. thermal or e-beam evaporation) for a reasonable conformal coating. On the other hand, PVD techniques with an angular flux distribution (e.g. sputtering) can provide a fairly conformal shell coating around nanowire arrays without a need of small angle deposition. We also studied the shape effect of the arrays on the conformality of the coating and discovered that arrays of the tapered-top nanorods and the pyramids can be coated with a more conformal and thicker coating compared to the coating on the arrays of flat-top nanowires due to their larger openings in between structures. Our results indicate that conventional PVD techniques, which offer low cost and large scale thin film fabrication, can be utilized for highly conformal and uniform shell coating formation in core/shell nanowire device applications. - Highlights: • We examined the shell coating growth in core/shell nanostructures. • We investigated the effect of physical vapor deposition method on the conformality of the shell. • We used Monte Carlo simulations to simulate the shell growth on nanowire templates. • Angular atomic flux (i.e., sputtering at high pressure) leads to conformal and uniform coatings. • A small angle (< 45°) to the directional flux needs to be introduced for conformal coatings

  16. Investigation of physical vapor deposition techniques of conformal shell coating for core/shell structures by Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Cansizoglu, H., E-mail: hxis@ualr.edu; Yurukcu, M.; Cansizoglu, M.F.; Karabacak, T.

    2015-05-29

    Vertically aligned core/shell nanowire (nanorod) arrays are favorable candidates in many nano-scale devices such as solar cells, detectors, and integrated circuits. The quality of the shell coating around nanowire arrays is as crucial as the quality of the nanowires in device applications. For this reason, we worked on different physical vapor deposition (PVD) techniques and conducted Monte Carlo simulations to estimate the best deposition technique for a conformal shell coating. Our results show that a small angle (≤ 45°) between incoming flux of particles and the substrate surface normal is necessary for PVD techniques with a directional incoming flux (e.g. thermal or e-beam evaporation) for a reasonable conformal coating. On the other hand, PVD techniques with an angular flux distribution (e.g. sputtering) can provide a fairly conformal shell coating around nanowire arrays without a need of small angle deposition. We also studied the shape effect of the arrays on the conformality of the coating and discovered that arrays of the tapered-top nanorods and the pyramids can be coated with a more conformal and thicker coating compared to the coating on the arrays of flat-top nanowires due to their larger openings in between structures. Our results indicate that conventional PVD techniques, which offer low cost and large scale thin film fabrication, can be utilized for highly conformal and uniform shell coating formation in core/shell nanowire device applications. - Highlights: • We examined the shell coating growth in core/shell nanostructures. • We investigated the effect of physical vapor deposition method on the conformality of the shell. • We used Monte Carlo simulations to simulate the shell growth on nanowire templates. • Angular atomic flux (i.e., sputtering at high pressure) leads to conformal and uniform coatings. • A small angle (< 45°) to the directional flux needs to be introduced for conformal coatings.

  17. 正电子碰撞Ag,In,Sn原子L壳层电离截面的理论计算%Theoretical calculation of L-shell ionization cross section of Ag, In, and Sn atoms by positron impact

    Institute of Scientific and Technical Information of China (English)

    何彪; 何建新; 易有根; 江少恩; 郑志坚

    2011-01-01

    在David Botz分析模型的基础上,综合考虑正电子及电子碰撞电离的库仑效应和电子交换效应,引入离子效应和相对论效应修正因子,计算了Ag,In,Sn原子的L壳层电离截面.计算结果表明,引入了修正因子的计算结果明显优于平面波波恩近似和扭曲波波恩近似的计算结果,并和最近文献的实验值符合得较好.其计算结果可为激光等离子体模拟提供准确参数.%Based on the analytical formulas of David Botz, considering the Coulomb effect and exchange effect in the ionization by positron and electron impact, the total cross sections of positron-impact Lshell ionization of Ag? In, Sn atomic are calculated by incorporating both ionic and relativistic corrections in it. In comparison with the quantum mechanical predictions of plane-wave and distorted-wave Born approximations, it is found that the improved analytical formulas are in better agreement with the experimental results. The calculated results can be used to simlate the laser plasma.

  18. Shell's deep thinkers

    International Nuclear Information System (INIS)

    In a bid to improve delivery of best practice in deepwater operations to all its companies around the globe, Shell has just set up 'centres of excellence' on both sides of the Atlantic. The author has been asking each of the men heading up those centres how big a change all this is. (author)

  19. Atomic energy

    CERN Multimedia

    1996-01-01

    Interviews following the 1991 co-operation Agreement between the Department of Atomic Energy (DAE) of the Government of India and the European Organization for Nuclear Research (CERN) concerning the participation in the Large Hadron Collider Project (LHC) . With Chidambaram, R, Chairman, Atomic Energy Commission and Secretary, Department of Atomic Energy, Department of Atomic Energy (DAE) of the Government of India and Professor Llewellyn-Smith, Christopher H, Director-General, CERN.

  20. Atom chips

    CERN Document Server

    Reichel, Jakob

    2010-01-01

    This book provides a stimulating and multifaceted picture of a rapidly developing field. The first part reviews fundamentals of atom chip research in tutorial style, while subsequent parts focus on the topics of atom-surface interaction, coherence on atom chips, and possible future directions of atom chip research. The articles are written by leading researchers in the field in their characteristic and individual styles.

  1. Stability of charged thin shells

    International Nuclear Information System (INIS)

    In this article we study the mechanical stability of spherically symmetric thin shells with charge, in Einstein-Maxwell and Einstein-Born-Infeld theories. We analyze linearized perturbations preserving the symmetry, for shells around vacuum and shells surrounding noncharged black holes.

  2. Temporal structures in shell models

    DEFF Research Database (Denmark)

    Okkels, F.

    2001-01-01

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

  3. Simulation for double shell pinch

    Institute of Scientific and Technical Information of China (English)

    Wang Gang-Hua; Hu Xi-Jing; Sun Cheng-Wei

    2004-01-01

    Basic shock phenomena are presented in a composite pinch, a hybrid of the Z-pinch. The successive transfer of current within the plasma structure is demonstrated by our calculations. Properties of the shock wave are described.The current distribution between the two shells after the outer shell hitting the inner shell is also discussed.

  4. Recent Advances in Shell Evolution with Shell-Model Calculations

    CERN Document Server

    Utsuno, Yutaka; Tsunoda, Yusuke; Shimizu, Noritaka; Honma, Michio; Togashi, Tomoaki; Mizusaki, Takahiro

    2014-01-01

    Shell evolution in exotic nuclei is investigated with large-scale shell-model calculations. After presenting that the central and tensor forces produce distinctive ways of shell evolution, we show several recent results: (i) evolution of single-particle-like levels in antimony and cupper isotopes, (ii) shape coexistence in nickel isotopes understood in terms of configuration-dependent shell structure, and (iii) prediction of the evolution of the recently established $N=34$ magic number towards smaller proton numbers. In any case, large-scale shell-model calculations play indispensable roles in describing the interplay between single-particle character and correlation.

  5. 7 CFR 51.2002 - Split shell.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 2 2010-01-01 2010-01-01 false Split shell. 51.2002 Section 51.2002 Agriculture... Standards for Grades of Filberts in the Shell 1 Definitions § 51.2002 Split shell. Split shell means a shell... of the shell, measured in the direction of the crack....

  6. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-22

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

  7. Atomic Physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

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

  8. Atomic polarizabilities

    International Nuclear Information System (INIS)

    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

  9. Atom interferometry

    International Nuclear Information System (INIS)

    We will first present a development of the fundamental principles of atom interferometers. Next we will discuss a few of the various methods now available to split and recombine atomic De Broglie waves, with special emphasis on atom interferometers based on optical pulses. We will also be particularly concerned with high precision interferometers with long measurement times such those made with atomic fountains. The application of atom interferometry to the measurement of the acceleration due to gravity will be detailed. We will also develop the atom interferometry based on adiabatic transfer and we will apply it to the measurement of the photon recoil in the case of the Doppler shift of an atomic resonance caused by the momentum recoil from an absorbed photon. Finally the outlook of future developments will be given. (A.C.)

  10. Shell funds chair

    Science.gov (United States)

    The Shell Companies Foundation, Inc., of Houston, Tex., has given $750,000 to the University of Texas at Austin to establish the Shell Distinguished Chair in Geophysics. The 5-year, $150,000-per-year grant will support the studies of John G. Sclater. Sclater, currently a professor at the Massachusetts Institute of Technology, has accepted a joint position that begins July 1 in the geological sciences department and in the Institute for Geophysics at UT Austin.Sclater's research into the formation of ocean basins has applications for understanding the way petroleum deposits mature. He has studied the reconstruction of movements of the continents and the subsidence of ocean basins. He is considered an expert in the interpretation of geothermal and seismic data.

  11. Giant atoms for the production of nuclear fuel

    International Nuclear Information System (INIS)

    Neutral atoms can be blown up to the size of a football, if the electrons of the atomic shell are appropriately excited by photons just below the ionization energy. Such atoms, called Rydberg atoms, behave very differently to the usual ones in multiple respects. The fact that they can very easily be ionized by conventional electrostatic fields is being investigated as a method of isotope separation, for instance in the very important case of U235 and U238. (orig.)

  12. Fe3O4 and CdS based bifunctional core–shell nanostructure

    International Nuclear Information System (INIS)

    Highlights: ► First report on a room temperature aqueous process for growth of a hybrid core shell nanostructure containing a magnetic core and a semiconducting shell. ► Formation of distinct core shell nanostructure revealed by high resolution transmission electron microscopy. ► A bifunctional nature combining magnetic as well as photoresponce for the as synthesised core shell nanostructures demonstrated. ► A tendency towards self organisation of the core–shell nanostructure. ► Possible applications including purification and isolation of biological materials, drug delivery system, bio-labels, spintronics, etc. -- Abstract: A room temperature solution process for synthesis of Fe3O4 nanoparticles and their hybrid core shell nanostructures using CdS as the shell material has been described. The as grown particles have been characterised using XRD, Rietveld refinement, high resolution transmission electron microscopy, atomic force microscopy, superconducting quantum interference device, optical absorbance and photoluminescence spectroscopy. A superparamagnetic response revealed from the magnetisation measurements of the as synthesised magnetite nanoparticles was retained even after the growth of the CdS shell. From luminescence and high resolution atomic force microscopy measurements, it is shown that the core–shell structures advantageously combine magnetic as well as fluorescence response with a tendency towards self-organization.

  13. Innershell ionisation at small impactparameters in proton-atom collisions

    International Nuclear Information System (INIS)

    This thesis concentrates on innershell ionisation in proton-atom collisions. An experiment on K-shell ionisation of argon is described, performed in a gasfilled collision chamber under single collision conditions. Further experiments with carbon and aluminium were performed, the K-shell vacancy production in the collision of protons with these atoms being detected through the measurement of Auger-electrons. A spectrometer with a large solid angle was specially constructed for this and its performance is described. K-shell ionisation accompanying nuclear (p,γ) reactions has also been measured using 26Mg and 27Al. (Auth./C.F.)

  14. Schroedinger atom

    International Nuclear Information System (INIS)

    Features of an electrodynamical interpretation suggested by Schroedinger for the wave function are discribed. According to this conception electron charges are continuously distributed all over the volume of an atomic system. The proof is given that classical electrodynamics keeps its action inside atom. Schroedinger's atom has been shown to be the only model in which electrones do not lose their energy for emission when they move around nucleus. A significance of the distributed electron charge self-field is estimated. Practical applications of this conception have been noted including the new trend in quantum electrodynamics. Experimental and theoretical corroborations of the atom model with a continuous electron charge are adduced

  15. Atomic physics

    International Nuclear Information System (INIS)

    Research activities in atomic physics at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: experiments on stored ions; test for parity violation in neutral weak currents; energy conservation and astrophysics; atomic absorption spectroscopy, atomic and molecular detectors; theoretical studies of quantum electrodynamics and high-z ions; atomic beam magnetic resonance; radiative decay from the 23Po,2 levels of helium-like argon; quenching of the metastable 2S/sub 1/2/ state of hydrogen-like argon in an external electric field; and lifetime of the 23Po level of helium-like krypton

  16. First Principles Study of Core-Shell Semiconductor Nanocrystals

    Science.gov (United States)

    Vasiliev, Igor

    2011-03-01

    Core-shell nanocrystals composed of two different semiconductors have recently attracted considerable attention. These structures provide enhanced functionality and possess more degrees of freedom than single-component semiconductor nanocrystals and quantum dots. I present the results of ab initio density functional calculations for the structures, electronic densities of states, and optical absorption gaps of core-shell nanocrystals composed of group II-VI semiconductors, such as CdSe, CdTe, ZnSe, and ZnTe. The outer surfaces of the nanocrystals are passivated using partially charged hydrogen atoms. The calculations are performed for ``traditional'' core-shell nanocrystals, in which a core a narrow gap semiconductor is covered with a shell of a wide gap material, and ``inverted'' core-shell nanocrystals, in which a wide-gap core is enclosed in a narrow-gap shell. Supported by the Donors of the American Chemical Society Petroleum Research Fund under Grant No. PRF-48556-AC10 and by the U. S. Department of Energy under Grant No. DE-FG36-08GO88008.

  17. Radiative shell thinning in intense laser-driven blast waves

    International Nuclear Information System (INIS)

    The structural evolution of blast waves launched by intense laser pulses in gases is investigated. These blast waves exhibit significant energy loss through radiation while propagating in xenon as evidenced by interferometric imaging revealing radiative precursors and deceleration parameters well below those of an energy-conserving wave. Thinning of the blast wave shell from radiative cooling is observed through comparison of shocks launched in gases of differing atomic number. Shell thinning is also measured when the gas density is altered, indicating the influence of conditions within the preshock medium. These results are compared with radiative-hydrodynamic simulations.

  18. Multi-Shell Shell Model for Heavy Nuclei

    OpenAIRE

    Sun, Yang; Wu, Cheng-Li

    2003-01-01

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

  19. Multi-shell effective interactions

    CERN Document Server

    Tsunoda, Naofumi; Hjorth-Jensen, Morten; Otsuka, Takaharu

    2013-01-01

    Background: Effective interactions, either derived from microscopic theories or based on fitting selected properties of nuclei in specific mass regions, are widely used inputs to shell-model studies of nuclei. Until recently, most shell-model calculations have been confined to a single oscillator shell. Recent interest in nuclei away from the stability line, requires however larger shell-model spaces. Since the derivation of microscopic effective interactions has been limited to degenerate model spaces, there are both conceptual and practical limits to present shell-model calculations that utilize such interactions. Purpose: The aim of this work is to present a novel microscopic method to calculate effective interactions for the nuclear shell model. Its main difference from existing theories is that it can be applied not only to degenerate model spaces but also to non-degenerate model spaces. Methods: The formalism is presented in the form of many-body perturbation theory based on the recently developed Exten...

  20. Wrinkling of Pressurized Elastic Shells

    KAUST Repository

    Vella, Dominic

    2011-10-01

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

  1. Plate shell structures of glass

    DEFF Research Database (Denmark)

    Bagger, Anne

    . Together with Ghent University, a script has been developed for an automated generation of a given plate shell geometry and a corresponding finite element (FE) model. A suitable FE modelling technique is proposed, suggesting a relatively simple method of modelling the connection detail's stiffness......This thesis is a study of plate shell structures -- a type of shell structure with a piecewise plane geometry, organized so that the load bearing system is constituted by distributed in-plane forces in the facets. The high stiffness-to-weight ratio of smoothly curved shell structures is mainly due...... 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...

  2. Shell structure from nuclear observables

    CERN Document Server

    Bentley, I; Cunningham, S; Aprahamian, A

    2016-01-01

    The appearance and disappearance of shells and subshells are determined using a previously introduced method of structural analysis. This work extends the approach and applies it to protons, in addition to neutrons, in an attempt to provide a more complete understanding of shell structure in nuclei. Experimental observables including the mean-square charge radius, as well as other spectroscopic and mass related quantities are analyzed for extrema. This analysis also uses differential observables among adjacent even-even nuclei to serve as the derivatives for these quantities of interest. Local extrema in these quantities indicate shell structure and the lack of local extrema indicate missing shell closures. The shell structure of low-mass nuclei is inconsistent likely as a consequence of the single-particle structure. Additionally, multiple shell features occurring in midshell regions are determined by combining information from two or more observables. Our results near stability complement previous observati...

  3. Shell structure from nuclear observables

    Science.gov (United States)

    Bentley, I.; Rodríguez, Y. Colón; Cunningham, S.; Aprahamian, A.

    2016-04-01

    The appearance and disappearance of shells and subshells are determined using a previously introduced method of structural analysis. This work extends the approach and applies it to protons, in addition to neutrons, in an attempt to provide a more complete understanding of shell structure in nuclei. Experimental observables including the mean-square charge radius, as well as other spectroscopic and mass related quantities are analyzed for extrema. This analysis also uses differential observables among adjacent even-even nuclei to serve as the derivatives for these quantities of interest. Local extrema in these quantities indicate shell structure and the lack of local extrema indicate missing shell closures. The shell structure of low-mass nuclei is inconsistent likely as a consequence of the single-particle structure. Additionally, multiple shell features occurring in midshell regions are determined by combining information from two or more observables. Our results near stability complement previous observations further out.

  4. Properties of few-electron artificial atoms

    OpenAIRE

    Varga, K.; Navratil, P.; Usukura, J.; Suzuki, Y

    2000-01-01

    The spectra of quantum dots of different geometry (``quantum ring'', ``quantum cylinder'', ``spherical square-well'' and ``parabolic confinement'') are studied. The stochastic variational method on correlated Gaussian basis functions and a large scale shell-model approach have been used to investigate these ``artificial'' atoms and their properties in magnetic field. Accurate numerical results are presented for $N$=2-8 electron systems.

  5. Atomic physics

    CERN Document Server

    Born, Max

    1989-01-01

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

  6. The notes on thin shells

    CERN Document Server

    Iofa, Mikhail Z

    2016-01-01

    Geometry of the spacetime with a spherical shell embedded in it is studied in two coordinate systems - in Kodama-Schwarzschild coordinates and in Gaussian normal coordinates. We consider transformations between the coordinate systems as in the 4D spacetime so as at the surface $\\S$ swept in the spacetime by the spherical shell. Extrinsic curvatures of the surface swept by the shell are calculated in both coordinate systems. Applications to the Israel junction conditions are discussed.

  7. Shell Joint Venture IT Framework

    OpenAIRE

    Evert Ruijs

    2013-01-01

    Dit artikel is alleen beschikbaar in het Nederlands. Shell's wereldwijde productie van olie en gas gaat voor een groot deel via Joint Ventures. Deze Joint Ventures werken in meer of mindere mate onder het management van Shell, vaak optioneel gebruik makend van Shell's processen, standaarden, gemeenschappelijke portfolio van applicaties en technologie. Om de vele soorten van applicaties en versies van implementaties beheersbaar te houden in de 'extended enterprise' is een goed raamwerk nodig. ...

  8. Creep analysis of orthotropic shells

    International Nuclear Information System (INIS)

    A method of creep analysis of orthotropic cylindrical shells subjected to axisymmetric loads has been developed. A general study of creep behaviour of cylindrical shells subjected to a uniform internal pressure has been conducted for a wide range of values of anisotropy coefficients and creep law exponent. Analysis includes determination of stress re-distribution, strain rates, stationary state stresses. Application of reference stress technique has been extended to analysis of shells. (author)

  9. Thermoluminescence measurement of calcite shells

    International Nuclear Information System (INIS)

    Thermoluminescence (TL) measurements of calcite derived from shells or shell fragments are relevant to the detection of irradiated shellfish for enforcement of food labelling regulations, and to dating of archaeological and fossil materials. The bio-inorganic nature of the material, which is both micro-porous and an intimate mixture of organic and inorganic phases, presents problems for direct TL measurements. This paper discusses the optimal conditions for direct TL measurements on dried, powdered samples from modern shells. (Author)

  10. The direct manipulation shell

    International Nuclear Information System (INIS)

    Accelerator controls systems provide parameter display pages which allow the operator to monitor and manipulate selected control points in the system. Display pages are generally implemented as either hand-crafted, purpose-built programs; or by using a specialized display page layout tool. These two methods of display page development exhibit the classic trade-off between functionality vs. ease of implementation. In the Direct Manipulation Shell we approach the process of developing a display page in a manifestly object-oriented manner. This is done by providing a general framework for interactively instantiating and manipulating display objects. (author)

  11. PREONS SHELLS AND ATOMIC STRUCTURE Преоновые оболочки и структура атома

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2013-03-01

    Full Text Available We consider the model of the structure of electrons and quarks, in which these particles are presented consisting of elementary particles preons. From this model, the theory of electron shells, as a continuation of the quark nuclear shells has been proposed

  12. Core-shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters

    Science.gov (United States)

    Wang, Xinqin; Cui, Yingqi; Yu, Shengping; Zeng, Qun; Yang, Mingli

    2016-04-01

    The structural, electronic, and optical properties of core-shell nanoclusters, (CdSe)x@(CdSe)y and their Zn-substituted complexes of x = 2-4 and y = 16-28, were studied with density functional theory calculations. The substitution was applied in the cores, the shells, and/or the whole clusters. All these clusters are characterized by their core-shell structures in which the core-shell interaction was found different from those in core or in shell, as reflected by their bondlengths, volumes, and binding energies. Moreover, the core and shell combine together to compose a new cluster with electronic and optical properties different from those of separated individuals, as reflected by their HOMO-LUMO gaps and optical absorptions. With the substitution of Cd by Zn, the structural, electronic, and optical properties of clusters change regularly. The binding energy increases with Zn content, attributed to the strong Zn-Se bonding. For the same core/shell, the structure with a CdSe shell/core has a narrower gap than that with a ZnSe shell/core. The optical absorption spectra also change accordingly with Zn substitution. The peaks blueshift with increasing Zn concentration, accompanying with shape variations in case large number of Cd atoms are substituted. Our calculations reveal the core-shell interaction and its influence on the electronic and optical properties of the core-shell clusters, suggesting a composition-structure-property relationship for the design of core-shell CdSe and ZnSe nanoclusters.

  13. 7 CFR 51.2289 - Shell.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 2 2010-01-01 2010-01-01 false Shell. 51.2289 Section 51.2289 Agriculture Regulations... Standards for Shelled English Walnuts (Juglans Regia) Definitions § 51.2289 Shell. Shell means the outer shell and/or the woody partition from between the halves of the kernel, and any fragments of either....

  14. Atomic physics at high brilliance synchrotron sources: Proceedings

    International Nuclear Information System (INIS)

    This report contains papers on the following topics: present status of SPring-8 and the atomic physics undulator beamline; recent photoabsorption measurements in the rare gases and alkalis in the 3 to 15 keV proton energy region; atomic and molecular physics at LURE; experiments on atoms, ions and small molecules using the new generation of synchrotron radiation sources; soft x-ray fluorescence spectroscopy using tunable synchrotron radiation; soft x-ray fluorescence spectroscopy excited by synchrotron radiation: Inelastic and resonant scattering near threshold; outer-shell photoionization of ions; overview of the APS BESSRC beamline development; the advanced light source: Research opportunities in atomic and molecular physics; Photoionization of the Ba+ ion by 4d shell excitation; decay dynamics of inner-shell excited atoms and molecules; absorption of atomic Ca, Cr, Mn and Cu; High-resolution photoelectron studies of resonant molecular photoionization; radiative and radiationless resonant raman scattering by synchrotron radiation; auger spectrometry of atoms and molecules; some thoughts of future experiments with the new generation of storage rings; Electron spectroscopy studies of argon K-shell excitation and vacancy cascades; ionization of atoms by high energy photons; ion coincidence spectroscopy on rare gas atoms and small molecules after photoexcitation at energies of several keV; an EBIS for use with synchrotron radiation photoionization of multiply charged ions and PHOBIS; gamma-2e coincidence measurements the wave of the future in inner-shell electron spectroscopy; recoil momentum spectroscopy in ion-atom and photon-atom collisions; a study of compton ionization of helium; future perspectives of photoionization studies at high photon energies; and status report on the advanced photon source. These papers have been cataloged separately elsewhere

  15. Detection of positron-atom bound states through resonant annihilation

    CERN Document Server

    Dzuba, V A; Gribakin, G F

    2010-01-01

    A method is proposed for detecting positron-atom bound states by observing Feshbach resonances in positron annihilation at electron volt energies. The method is applicable to a range of open-shell transition metal atoms which are likely to bind the positron: Si, Fe, Co, Ni, Ge, Tc, Ru, Rh, Sn, Sb, Ta, W, Os, Ir, and Pt.

  16. QED theory of the nuclear recoil effect in atoms

    CERN Document Server

    Shabaev, V M

    1998-01-01

    The quantum electrodynamic theory of the nuclear recoil effect in atoms to all orders in \\alpha Z is formulated. The nuclear recoil corrections for atoms with one and two electrons over closed shells are considered in detail. The problem of the composite nuclear structure in the theory of the nuclear recoil effect is discussed.

  17. Explanation of the recent results on photoionization of endohedral atoms

    CERN Document Server

    Amusia, M Ya; Drukarev, E G

    2014-01-01

    We suggest an explanation of the recently observed discrepancy between the experimental and theoretical results on ionization of atoms, encapsulated into the fullerenes by photons with the energies of about 80-190eV. On the ground of previous theoretical considerations we conclude that the photoionization of the caged atom without excitation of the fullerene shell has low probability.

  18. QED theory of the nuclear recoil effect in atoms

    OpenAIRE

    Shabaev, V. M.

    1997-01-01

    The quantum electrodynamic theory of the nuclear recoil effect in atoms to all orders in \\alpha Z is formulated. The nuclear recoil corrections for atoms with one and two electrons over closed shells are considered in detail. The problem of the composite nuclear structure in the theory of the nuclear recoil effect is discussed.

  19. Dynamics study of green AuNP formation and their basis for Au-Pt core-shell nanostructure synthesis

    DEFF Research Database (Denmark)

    Engelbrekt, Christian; Seselj, Nedjeljko; Ulstrup, Jens; Zhang, Jingdong

    details of nanoparticle formation has been developed employing readily available electrochemical and optical techniques. The aim is to understand which parameters control the growth and shape and at which stages of the synthesis. The gold nanoparticles (AuNPs) studied are further used as seeds for size...... controlled AuNPs and Au - Pt core - shell NPs with an atomically thin Pt shell...

  20. Photoionization modelling of metal-enriched nova shells

    International Nuclear Information System (INIS)

    A photoionization model has been developed to investigate the physical conditions in old nova shells with large metal abundances. Atomic rates at low temperatures are included in the model so that the evolution of shells can be traced from their hot, early stages to their later cool phases. X-ray processes are also included. A situation in which a region of lowest temperature but highest ionization can exist at the inner edge of a nebula is demonstrated. A non-uniform density distribution is compared with a uniform density and the observational consequences discussed. The shell of the old nova, CVP Pup, is analysed in detail and its evolution during its constant-luminosity phase traced. (author)

  1. Multi-major-shell shell model for heavy nuclei–an extended projected shell model

    International Nuclear Information System (INIS)

    The projected shell model (PSM) in its original version is an efficient shell model truncation scheme for well deformed nuclei. However, the model is applicable only to rotational motion, but not collective vibrations. In this paper, we discuss a scheme that extends the PSM applicability to low-lying rotational and vibrational states possibly in all kinds of heavy nuclei (from deformed via transitional to spherical), thus rendering it to be a more general multi-major-shell shell model for heavy nuclei. Three known types of vibration (β, γ, and scissors-mode) are discussed. (author)

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

    Science.gov (United States)

    Magwene, Paul M; Socha, John J

    2013-02-01

    Turtle shells are a form of armor that provides varying degrees of protection against predation. Although this function of the shell as armor is widely appreciated, the mechanical limits of protection and the modes of failure when subjected to breaking stresses have not been well explored. We studied the mechanical properties of whole shells and of isolated bony tissues and sutures in four species of turtles (Trachemys scripta, Malaclemys terrapin, Chrysemys picta, and Terrapene carolina) using a combination of structural and mechanical tests. Structural properties were evaluated by subjecting whole shells to compressive and point loads in order to quantify maximum load, work to failure, and relative shell deformations. The mechanical properties of bone and sutures from the plastral region of the shell were evaluated using three-point bending experiments. Analysis of whole shell structural properties suggests that small shells undergo relatively greater deformations before failure than do large shells and similar amounts of energy are required to induce failure under both point and compressive loads. Location of failures occurred far more often at sulci than at sutures (representing the margins of the epidermal scutes and the underlying bones, respectively), suggesting that the small grooves in the bone created by the sulci introduce zones of weakness in the shell. Values for bending strength, ultimate bending strain, Young's modulus, and energy absorption, calculated from the three-point bending data, indicate that sutures are relatively weaker than the surrounding bone, but are able to absorb similar amounts of energy due to higher ultimate strain values. PMID:23203474

  3. Opportunities for atomic physics with hard synchrotron radiation

    International Nuclear Information System (INIS)

    The construction of third-generation synchrotron radiation facilities places atomic and molecular scientists at the threshold of extraordinary opportunities. Areas of potential interest for the APS in atomic physics are: (1) exploration of relativistic and QED effects which become prominent in inner shells and at high Z; (2) total photon interaction cross sections; (3) scattering; (4) fluorescence; (5) photo- and Auger-electron spectrometries; and (6) ion spectrometry. A special regime in which the APS will lend access to unprecedented exploration is atomic inner-shell phenomena

  4. Atomic and molecular spectroscopy of transition metals in condensed helium

    International Nuclear Information System (INIS)

    Full text: We investigated laser induced fluorescence spectra of copper and gold atoms and dimers thereof isolated in solid and liquid 4He. Among the atomic spectral lines the most interesting ones are forbidden transitions that involve electrons from inner d-shells which are screened from the surrounding He atoms by the outer s-shell and are therefore much less affected by the interaction with the He matrix. Indeed, the observed spectral lineshapes are much narrower than those of transitions involving outer shell electrons. Another important result is the observation of well resolved vibrational structures in five molecular bands of the Au2 and Cu2 dimers. We expect that the analysis of those spectra will significantly advance our understanding of impurity atoms and molecules in condensed He. (author)

  5. Expert system development (ESD) shell

    International Nuclear Information System (INIS)

    An Expert System Development (ESD) Shell design implementation is desribed in detail. The shell provides high-level generic facilities for Knowledge Representation (KR) and inferencing and tools for developing user interfaces. Powerful set of tools in the shell relieves much of the programming burden in the ES development. The shell is written in PROLOG under IBM PC/AT. KR facilities are based on two very powerful formalisms namely, frames and rules. Inference Engine (IE) draws most of its power from unification and backward reasoning strategy in PROLOG. This basic mechanism is enhanced further by incorporating both forward and backward chaining of rules and frame-based inferencing. Overall programming style integrates multiple paradigms including logic, object oriented, access-oriented and imperative programming. This permits ES designer a lot of flexibility in organizing inference control. Creation and maintainance of knowledge base is a major activity. The shell, therefore, provides number of facilities to simplify these tasks. Shell design also takes note of the fact that final success of any system depends on end-user satisfaction and hence provides features to build use-friendly interfaces. The shell also provides a set of interfacing predicates so that it can be embedded within any PROLOG program to incorporate functionalilty of the shell in the user program. (author). 10 refs., 8 figs

  6. Shell model and spectroscopic factors

    International Nuclear Information System (INIS)

    In these lectures, I introduce the notion of spectroscopic factor in the shell model context. A brief review is given of the present status of the large scale applications of the Interacting Shell Model. The spectroscopic factors and the spectroscopic strength are discussed for nuclei in the vicinity of magic closures and for deformed nuclei. (author)

  7. Strength of protective ferroconcrete shells with an internal explosive load

    International Nuclear Information System (INIS)

    Ferroconcrete cylindrical containment vessels of height equal to the diameter with an elliptical lid are most widely used at Russian atomic power stations. They are designed to withstand the action of internal static pressure. Although the action of explosive internal loads on their internal surface is possible in an accident, no experimental studies of this situation are known. As a first approximation, the integral characteristic K = M/mex used to estimate the permissible explosive load of ferroconcrete explosion chambers was suggested as a first approximation in estimating the dynamic strength of shells under an explosive load; here M is the mass of the shell and mex is the mass of the explosive charge. Practical experience with explosion chambers indicates that they remain intact under multiple explosions if K ≥ 103. In their work, the failure of cylindrical ferroconcrete shells (rings) under an internal explosive load is experimentally studied, and the results are used to predict the explosion stability of the containment vessels of atomic power plants. In the pressure-momentum plane of the load, there are regions corresponding to damage to the ring at three levels: the presence of partial and through cracks and failure of the reinforcement. The boundaries of the regions (isodamage curves) are the geometric loci of all possible combinations of load parameters corresponding to the same final state of the ring on the chosen scale. A procedure has been described for plotting isodamage curves for thin rings of arbitrary radius on the basis of the experimental results. By plotting such curves for the example of a hypothetical cylindrical shell close in size to the cylindrical section of the containment vessel at the fifth unit of the Novo-Voronezh atomic power plant (Ro = 23 m, H = 40 m, σ = 1.2 m), it has been shown that this shell remains intact under the explosion of a TNT charge of mass up to 3.5 ton

  8. Composite shell spacecraft seat

    Science.gov (United States)

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

    2008-01-01

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

  9. Thermal stability of Cu@Ag core–shell nanoparticles

    International Nuclear Information System (INIS)

    Highlights: •Thermal stability of Cu@Ag core–shell NPs upon heating was evaluated. •Oxidation of nanoparticles was monitored by synchrotron radiation X-ray diffraction. •Phase transitions and morphological evolution were investigated. •Mechanisms for the coalescence of Cu cores and ripening of Ag shell were explained. -- Abstract: In this study, the structural evolution and oxidation of Cu@Ag core–shell nanoparticle deposits (with average particle diameter of 25 nm and Ag/Cu atomic ratio of 1/8) upon heating in air were investigated quantitatively via in situ synchrotron radiation X-ray diffraction. With an increasing temperature, the coalescence of Cu cores and ripening of Ag shell occurred simultaneously, resulting in discrete Ag nanonodules and unprotected Cu microparticles. Due to the protection of the thin Ag shell, the formation temperatures of the Cu oxides for Cu@Ag NPs were higher than those for pure Cu nanoparticles with similar size by at least 150 °C

  10. Polymer and protein interfacial competition in a shell production process

    Science.gov (United States)

    Willard, Emma; Randall, Greg

    2015-11-01

    We are exploring oil-in-aqueous polymer compound droplet formulations to UV polymerize into shells while in a strong AC electric field (kV/cm, 20 MHz). The electric field drives the drops to adopt a concentric configuration so that a ``perfect'' spherical shell can be polymerized with a uniform wall thickness. In our previous study of oil-in-water droplet centering, we determined that droplet stretching in the electric field was a problem, which we overcame by using protein additives to strengthen the oil/water interface. However, adding polymer to the shell fluid has been shown to weaken the droplet interface and further complicates T junction droplet generation. In this work, we study the adsorption competition between bovine serum albumin and polyethylene glycol diacrylate with the pendant drop method to generate a polymer/protein shell formulation that will resist stretching in the centering electric field. Furthermore, we explore droplet generation of polymer/protein shell formulations in a double T junction and stretching in an electric field. Work supported by General Atomics IR&D funds.

  11. Shell structure of pancakes and the absorption spectra of quasars

    International Nuclear Information System (INIS)

    The formation of the absorption lines of atomic hydrogen in the spectra of distant quasars is considered. A model is constructed of the formation of shells of a pancake formed in the adiabatic picture of the generation of the large-scale structure of the universe. It is shown that the absorption lines can form doublets and the equivalent widths of the corresponding lines are calculated. The physical conditions corresponding to the observed heavy-element absorption spectra are discussed

  12. Atomic secrecy

    International Nuclear Information System (INIS)

    An article, The H-Bomb Secret: How We Got It, Why We're Telling It, by Howard Morland was to be published in The Progressive magazine in February, 1979. The government, after learning of the author's and the editors' intention to publish the article and failing to persuade them to voluntarily delete about 20% of the text and all of the diagrams showing how an H-bomb works, requested a court injunction against publication. Acting under the Atomic Energy Act of 1954, US District Court Judge Robert W. Warren granted the government's request on March 26. Events dealing with the case are discussed in this publication. Section 1, Progressive Hydrogen Bomb Case, is discussed under the following: Court Order Blocking Magazine Report; Origins of the Howard Morland Article; Author's Motives, Defense of Publication; and Government Arguments Against Disclosure. Section 2, Access to Atomic Data Since 1939, contains information on need for secrecy during World War II; 1946 Atomic Energy Act and its effects; Soviet A-Bomb and the US H-Bomb; and consequences of 1954 Atomic Energy Act. Section 3, Disputed Need for Atomic Secrecy, contains papers entitled: Lack of Studies on H-Bomb Proliferation; Administration's Position on H-Bombs; and National Security Needs vs Free Press

  13. Contemporary models of the atomic nucleus

    CERN Document Server

    Nemirovskii, P E

    2013-01-01

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

  14. Manipulation of individual double-walled carbon nanotubes packed in a casing shell

    International Nuclear Information System (INIS)

    Controlled placement of carbon nanotubes is important for carbon-based nanodevice assembly. However, it is difficult to manipulate individual nanotubes because of their extremely small dimensions. Ultra-fine tubes are often in the form of bundles and are hard to efficiently move on a surface due to the strong adhesion among themselves and between the tubes and the substrate. This paper presents a novel manipulation approach of individual double-walled carbon nanotubes encased in a thick amorphous carbon shell. With an atomic force microscope, we are able to freely displace the nanotubes within a casing shell, and unpack it from the shell on a silicon surface. The theoretical analysis demonstrates that the unpacking process is determined by the difference of the static friction between the shell and the substrate and the resistance force between the shell and the embedded nanotube.

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

    International Nuclear Information System (INIS)

    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.

  16. A novel method for measuring K-shell photoelectric parameters of high-Z elements

    Science.gov (United States)

    Nayak, S. V.; Badiger, N. M.

    2006-06-01

    The K-shell jump ratio, jump factor and the ratio of total to K-shell photoelectric cross section at K edge have been determined for Hf, Ta, Au and Pb by adopting a novel method. In this method, continuous external bremsstrahlung (EB) photons are produced in a thin nickel elemental converter by beta particles from a 90Sr-90Y weak beta source. The spectrum of EB photons transmitted through the elemental targets of Hf, Ta, Au and Pb is recorded with an HPGe detector coupled to an 8K multichannel analyser. The transmitted spectrum shows a sharp decrease in intensity at the K-shell binding energy of the target atom. The region of sharp decrease is fitted to a sigmoidal function and the K-shell jump ratio, jump factor and the ratio of total to the K-shell photoelectric cross section at K edge are determined. The measured values are compared with the theoretical values.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-09-01

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

  18. Synthesis of Core-Shell SiOx/Carbon Nano fibers on Silicon Substrates by Ultrasonic Spray Pyrolysis

    International Nuclear Information System (INIS)

    We synthesized the core-shell SiOx/carbon nano fibers with diameters of 200-300 nm using ultrasonic spray pyrolysis with a phosphorus/ethanol mixture. High-resolution transmission electron microscopy (HRTEM) and energy-dispersive spectroscopy (EDS) investigations confirmed the core-shell structure, which consisted of a core of SiOx and a shell of amorphous carbon. The phosphorus atoms corroded the entire silicon substrate surface, and the Si-P liquid-catalyzed the solid-liquid-solid mechanism is proposed to explain the growth of the core-shell SiOx/carbon nano fibers.

  19. Calculation of Al-Zn diagram from central atoms model

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the param eter of energy in the central atoms model in proportion to the number of other atoms i (referred with the central atom). A parameter Pα is proposed in this model, which equals to reciprocal of activity coefficient of a component, therefore, the new model can be understood easily. By this model, the Al-Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.

  20. Optimum rotationally symmetric shells for flywheel rotors

    Science.gov (United States)

    Blake, Henry W.

    2000-01-01

    A flywheel rim support formed from two shell halves. Each of the shell halves has a disc connected to the central shaft. A first shell element connects to the disc at an interface. A second shell element connects to the first shell element. The second shell element has a plurality of meridional slits. A cylindrical shell element connects to the second shell element. The cylindrical shell element connects to the inner surface of the flywheel rim. A flywheel rim support having a disc connected an outer diameter of a shaft. Two optimally shaped shell elements connect to the optimally shaped disc at an interface. The interface defines a discontinuity in a meridional slope of said support. A cylindrical shell element connects to the two shell elements. The cylindrical shell element has an outer surface for connecting to the inner surface of the flywheel rim. A flywheel rim casing includes an annular shell connected to the central shaft. The annular shell connects to the flywheel rim. A composite shell surrounds the shaft, annular shell and flywheel rim.

  1. MicroShell Minimalist Shell for Xilinx Microprocessors

    Science.gov (United States)

    Werne, Thomas A.

    2011-01-01

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

  2. Dynamical symmetries of the shell model

    International Nuclear Information System (INIS)

    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)

  3. Dynamical symmetries of the shell model

    Energy Technology Data Exchange (ETDEWEB)

    Van Isacker, P

    2000-07-01

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

  4. K-shell Photoabsorption of Oxygen Ions

    CERN Document Server

    García, J; Bautista, M A; Gorczyca, T W; Kallman, T R; Palmeri, P

    2004-01-01

    Extensive calculations of the atomic data required for the spectral modelling of the K-shell photoabsorption of oxygen ions have been carried out in a multi-code approach. The present level energies and wavelengths for the highly ionized species (electron occupancies 2 4, lack of measurements, wide experimental scatter, and discrepancies among theoretical values are handicaps in reliable accuracy assessments. The radiative and Auger rates are expected to be accurate to 10% and 20%, respectively, except for transitions involving strongly mixed levels. Radiative and Auger dampings have been taken into account in the calculation of photoabsorption cross sections in the K-threshold region, leading to overlapping lorentzian shaped resonances of constant widths that cause edge smearing. The behavior of the improved opacities in this region has been studied with the XSTAR modelling code using simple constant density slab models, and is displayed for a range of ionization parameters.

  5. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

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

  6. Evolution of three-shell onion-like and core-shell structures in (AgCo)201 bimetallic clusters

    Institute of Scientific and Technical Information of China (English)

    Wang Qiang; Li Guo-Jian; Li Dong-Gang; Lv Xiao; He Ji-Cheng

    2009-01-01

    This paper studies the structural evolution of (AgCo)201 clusters with different Co concentrations under various temperature conditions by using molecular dynamics with the embedded atom method. The most stable position for Co atoms in the cluster is the subsurface layer at low temperature (lower than 200 K for the Ag200Co1 cluster). The position changes to the core layer with the increase of temperature, but there is an energy barrier in the middle layer. This makes the Ag-Co cluster form an Ag-Co-Ag three-shell onion-like configuration. When the temperature is high enough [higher than 800 K for (AgCo)201 clusters with 50% Co], Co atoms can obtain enough energy to overcome the energy barrier and the duster forms an Ag-Co core-shell configuration. Amorphization for the onion-like and core-shell clusters is induced by the large lattice misfit at Ag-Co interfaces. The structural evolution in the Ag-Co cluster is related to the release of excess energy.

  7. Platinum-coated non-noble metal-noble metal core-shell electrocatalysts

    Science.gov (United States)

    Adzic, Radoslav; Zhang, Junliang; Mo, Yibo; Vukmirovic, Miomir

    2015-04-14

    Core-shell particles encapsulated by a thin film of a catalytically active metal are described. The particles are preferably nanoparticles comprising a non-noble core with a noble metal shell which preferably do not include Pt. The non-noble metal-noble metal core-shell nanoparticles are encapsulated by a catalytically active metal which is preferably Pt. The core-shell nanoparticles are preferably formed by prolonged elevated-temperature annealing of nanoparticle alloys in an inert environment. This causes the noble metal component to surface segregate and form an atomically thin shell. The Pt overlayer is formed by a process involving the underpotential deposition of a monolayer of a non-noble metal followed by immersion in a solution comprising a Pt salt. A thin Pt layer forms via the galvanic displacement of non-noble surface atoms by more noble Pt atoms in the salt. The overall process is a robust and cost-efficient method for forming Pt-coated non-noble metal-noble metal core-shell nanoparticles.

  8. Dielectronic recombination of the 4p and 4d open sub-shell tungsten ions

    International Nuclear Information System (INIS)

    Dielectronic recombination rate coefficients are given theoretically for several highly charged tungsten ions. As 4p open sub-shell ions, Ga-, Ge-, As-, Br-, Kr-like ions are considered. Rb-like ion is further considered as a 4d open sub-shell ion. Theoretical calculations are carried out using a relativistic atomic code FAC. The effect of configuration interaction is taking into account. Inner-shell electron excitations play a significant role for the dielectronic recombination process. Simple analytical formulae are given for the total rate coefficients by fitting to the presently obtained numerical results.

  9. Atoms as Qed bound atoms

    International Nuclear Information System (INIS)

    The relevance of Quantum Electrodynamics (Qed) in contemporary atomic structure theory is reviewed. Recent experimental advances allow both the production of heavy ions of high charge as well as the measurement of atomic properties with a precision never achieved before. The description of heavy atoms with few electrons via the successive incorporation of one, two, etcetera photons in a rigorous manner and within the bound state Furry representation of Qed is technically feasible. For many-electron atoms the many-body (correlation) effects are very important and it is practically impossible to evaluate all the relevant Feynman diagrams to the required accuracy. Thus, it is necessary to develop a theoretical scheme in which the radiative and nonradiative effects are taken into account in an effective way making emphasis in electronic correlation. Preserving gauge invariance, and avoiding both continuum dissolution and variational collapse are basic problems that must be solved when using effective potential methods and finite-basis representations of them. In this context, we shall discuss advances and problems in the description of atoms as Qed bound states. (Author)

  10. Recovery of Salmonella from commercial shell eggs by shell rinse and shell crush methodologies.

    Science.gov (United States)

    Musgrove, M T; Jones, D R; Northcutt, J K; Harrison, M A; Cox, N A; Ingram, K D; Hinton, A J

    2005-12-01

    Salmonella is the most important human pathogen associated with shell eggs. Salmonella Enteritidis is the serotype most often implicated in outbreaks, although other serotypes have been recovered from eggs and from the commercial shell egg washing environment. Many sample methods are used to recover microorganisms from eggshells and membranes. A shell rinse and modified shell-and-membrane crush method for recovery of Salmonella were compared. Eggs were collected from 3 commercial shell-washing facilities (X, Y, and Z) during 3 visits. Twelve eggs were collected from each of 10 to 12 locations along the egg processing chain. After being transported back to the laboratory, each egg was sampled first by a shell rinse method and then by a shell crush method. For each technique (rinse or crush), 2 pools of 5 eggs per location sampled were selectively enriched for the recovery of Salmonella. Presumptive samples positive for Salmonella were confirmed serologically. Overall, there were 10.1% (40/396) Salmonella-positive pooled samples. Salmonella were recovered by the shell rinse and shell crush techniques (4.8 vs. 5.3%, respectively). Plant X yielded 21.5% Salmonella positives, whereas less than 5% of samples from plants Y and Z were found to be contaminated with the organism (4.2 and 4.5%, respectively). Salmonella was recovered more often from unwashed eggs (15.8%) than from washed eggs (8.3%). For some eggs, Salmonella was only recovered by one of the methods. Use of both approaches in the same experiment increased sampling sensitivity, although in most cases, crushing provided more sensitive Salmonella recovery. PMID:16479955

  11. Intergalactic shells at large redshift

    Science.gov (United States)

    Shull, J. M.; Silk, J.

    1981-01-01

    The intergalactic shells produced by galactic explosions at large redshift, whose interiors cool by inverse Compton scattering off the cosmic background radiation, have a characteristic angular size of about 1 arcmin at peak brightness. At z values lower than 2, the shells typically have a radius of 0.5 Mpc, a velocity of about 50 km/sec, a metal abundance of about 0.0001 of cosmic values, and strong radiation in H I(Lyman-alpha), He II 304 A, and the IR fine-structure lines of C II and Si II. The predicted extragalactic background emission from many shells, strongly peaked toward the UV, sets an upper limit to the number of exploding sources at z values of about 10. Shell absorption lines of H I, C II, Si II, and Fe II, which may be seen at more recent epochs in quasar spectra, may probe otherwise invisible explosions in the early universe.

  12. Instant Windows PowerShell

    CERN Document Server

    Menon, Vinith

    2013-01-01

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

  13. Rotating Thin-Shell Wormhole

    OpenAIRE

    Ovgun, A.

    2016-01-01

    In this article, we construct rotating thin shell wormhole using a Myers-Perry black hole in five dimensions. The stability of the wormhole is analyzed under perturbations follows from the Darmois-Israel junction conditions. We find that it required exotic matter at the throat to keep throat of wormhole stable. Our analysis shows that the stability of the rotating thin-shell wormhole is available with choosing suitable values of parameters.

  14. Pseudospin Conserving Shell Model Interactions

    OpenAIRE

    Ginocchio, Joseph N.

    2010-01-01

    Pseudospin symmetry is approximately conserved in nuclei. Normally shell model interactions are written in terms of spin an orbital angular momentum operators, not in terms of pseudospin and pseudo-orbital angular momentum operators. We determine the shell model interactions which conserve pseudospin symmetry and pseudo-orbital angular momentum symmetry and write them in terms of spin and orbital angular momentum operators including the tensor interaction. We show that, although the tensor in...

  15. 40 Years of Shell Scenarios

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-02-15

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

  16. Collision patterns on mollusc shells

    OpenAIRE

    P. J. Plath; J. K. Plath; Schwietering, J.

    1997-01-01

    On mollusc shells one can find famous patterns. Some of them show a great resemblance to the soliton patterns in one-dimensional systems. Other look like Sierpinsky triangles or exhibit very irregular patterns. Meinhardt has shown that those patterns can be well described by reaction–diffusion systems [1]. However, such a description neglects the discrete character of the cell system at the growth front of the mollusc shell. We have therefore developed a one-dimensional cellular vector automa...

  17. Collision patterns on mollusc shells

    Directory of Open Access Journals (Sweden)

    P. J. Plath

    1997-01-01

    Full Text Available On mollusc shells one can find famous patterns. Some of them show a great resemblance to the soliton patterns in one-dimensional systems. Other look like Sierpinsky triangles or exhibit very irregular patterns. Meinhardt has shown that those patterns can be well described by reaction–diffusion systems [1]. However, such a description neglects the discrete character of the cell system at the growth front of the mollusc shell.

  18. Oyster shells as history books

    OpenAIRE

    Surge, D.; Milner, N.

    2003-01-01

    [FIRST PARAGRAPH] A collaborative project was established in 2002 that has brought together geochemistry and archaeology in order to investigate environmental change and the harvesting strategies of ancient peoples. The objectives of this study are to decipher the life history and environmental information contained in shells of the European oyster, Ostrea edulis, by analyzing geochemical variations along shell growth. This approach provides an independent measure of age and season of death, ...

  19. Nuclear Shell Structure Evolution Theory

    OpenAIRE

    Wang, Zhengda; Wang, Xiaobin; Zhang, Xiaodong; Wang, Xiaochun

    2012-01-01

    The Self-similar-structure shell model (SSM) comes from the evolution of the conventional shell model (SM) and keeps the energy level of SM single particle harmonic oscillation motion. In SM, single particle motion is the positive harmonic oscillation and in SSM, the single particle motion is the negative harmonic oscillation. In this paper a nuclear evolution equation (NEE) is proposed. NEE describes the nuclear evolution process from gas state to liquid state and reveals the relations among...

  20. Isogeometric shell formulation based on a classical shell model

    KAUST Repository

    Niemi, Antti

    2012-09-04

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

  1. Laboratory Measurement and Theoretical Modeling of K-shell X-ray Lines from Inner-shell Excited and Ionized Ions of Oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Gu, M; Schmidt, M; Beiersdorfer, P; Chen, H; Thorn, D B; Tr?bert, E; Behar, E; Kahn, S M

    2005-02-05

    We present high resolution laboratory spectra of K-shell X-ray lines from inner-shell excited and ionized ions of oxygen, obtained with a reflection grating spectrometer on the electron beam ion trap (EBIT-I) at the Lawrence Livermore National Laboratory. Only with a multi-ion model including all major atomic collisional and radiative processes, are we able to identify the observed K-shell transitions of oxygen ions from O III to O VI. The wavelengths and associated errors for some of the strongest transitions are given, taking into account both the experimental and modeling uncertainties. The present data should be useful in identifying the absorption features present in astrophysical sources, such as active galactic nuclei and X-ray binaries. They are also useful in providing benchmarks for the testing of theoretical atomic structure calculations.

  2. ASYMPTOTIC ANALYSIS OF DYNAMIC PROBLEMS FOR LINEARLY ELASTIC SHELLS JUSTIFICATION OF EQUATIONS FOR DYNAMIC KOITER SHELLS

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Under certain conditions, the dynamic equatioins of membrane shells and the dynamic equations of flexural shells are obtained from dynamic equations of Koiter shells by the method of asymptotic analysis.

  3. Atomic hydrogen in the Orion star-forming region

    International Nuclear Information System (INIS)

    A large-scale survey of atomic hydrogen in Orion reveals low-density material with a total mass comparable to that in dense molecular clouds. The atomic gas is sufficiently dense that it can shield the molecular material from photodissociative radiation and provide a pressure link to the low-density intercloud medium. An excess of H I emission comes from photodissociation fronts near the bright stars and from a giant shell in the Orion Belt region. This shell may have caused the apparent bifurcation between the Orion A and B clouds, and the associated pressures may have induced peculiar motions and star formation in NGC 2023 and 2024. 49 refs

  4. A Hartree-Fock program for atomic structure calculations

    International Nuclear Information System (INIS)

    The Hartree-Fock equations for a general open shell atom are described. The matrix equations that result when the single particle orbitals are written in terms of a linear combination of analytic basis functions are derived. Attention is paid to the complexities that occur when open shells are present. The specifics of a working FORTRAN program which is available for public use are described. The program has the flexibility to handle either Slater-type orbitals or Gaussian-type orbitals. It can be obtained over the internet at http://lacebark.ntu.edu.au/j_mitroy/research/atomic.htm Copyright (1999) CSIRO Australia

  5. Radial pressure measurement in core/shell nanocrystals

    Science.gov (United States)

    Ithurria, Sandrine; Guyot-Sionnest, Philippe; Mahler, Benoît; Dubertret, Benoît

    2009-02-01

    Quantum dots are nanometre-sized semiconductor particles exhibiting unique size-dependent electronic properties. In order to passivate the nanocrystals surface and to protect them from oxidation, we grow a shell composed of a second semiconductor with a larger bandgap on the core (for example a core / shell CdS / ZnS). However, the lattice mismatch between the two materials (typically 7% between ZnS and CdS) induces mechanical stress which can lead to dislocations. To better understand these mechanisms, it is important to be able to measure the pressure induced on the semiconductor core. We used a nanocrystal doped with manganese ions Mn2+, which provide a phosphorescence signal depending on the local pressure. A few dopant atoms per nanoparticle were placed at controlled radial positions in a ZnS shell formed layer by layer. The experimental pressure measurements are in very good agreement with a simple spherically symmetric elastic continuum model[1]. Using manganese as a pressure gauge could be used to better understand some structural phenomena observed in these nanocrystals, such as crystalline phases transition, or shell cracking.

  6. Calculations of electron screening in muonic atoms

    International Nuclear Information System (INIS)

    The electron screening in mounic atoms (O, Al, Fe, In, Ho, Au, Th) has been calculated for p3/2, d5/2 and f7/2 levels with nμ=3/2, d5/2 and f7/2 muons up to nμ=30. Screening corrections are also given for electron configurations with holes in the K and L3 shell. (orig.)

  7. Core/shell-structured nickel/nitrogen-doped onion-like carbon nanocapsules with improved electromagnetic wave absorption properties

    Science.gov (United States)

    Wu, Niandu; Liu, Xianguo; Or, Siu Wing

    2016-05-01

    Core/shell-structured nickel/nitrogen-doped onion-like carbon (Ni/(C, N)) nanocapsules are synthesized by a modified arc-discharge method using N2 gas as the source of N atoms. Core/shell-structured Ni/C nanocapsules are also prepared for comparison. The Ni/(C, N) nanocapsules with diameters of 10-80 nm exhibit a clear core/shell structure. The doping of N atoms introduces more lattice defects into the (C, N) shells and creates more disorderly C in the (C, N) shells. This leads to a slight shift in the dielectric resonance peak to the lower frequency side and an increase in the dielectric loss tangent for the Ni/(C, N) nanocapsules in comparison with the Ni/C nanocapsules. The magnetic permeability of both types of nanocapsules remains almost unaltered since the N atoms exist only in the (C, N) shells. The reflection loss (RL) of the Ni/(C, N) nanocapsules not only reaches a high value of -35 dB at 13.6 GHz, but also is generally improved in the low-frequency S and C microwave bands covering 2-8 GHz as a result of the N-doping-induced additional dipolar polarization and dielectric loss from the (C, N) shells.

  8. Exotic atoms

    International Nuclear Information System (INIS)

    The experiments use a solid hydrogen layer to form muonic hydrogen isotopes that escape into vacuum. The method relies on transfer of the muon from protium to either a deuteron or a triton. The resulting muonic deuterium or muonic tritium will not immediately thermalize because of the very low elastic cross sections, and may be emitted from the surface of the layer. Measurements which detect decay electrons, muonic x-rays, and fusion products have been used to study the processes. A target has been constructed which exploits muonic atom emission in order to learn more about the energy dependence of transfer and muon molecular formation

  9. Atomic Clocks

    Science.gov (United States)

    Wynands, Robert

    Time is a strange thing. On the one hand it is arguably the most inaccessible physical phenomenon of all: both in that it is impossible to manipulate or modify—for all we know—and in that even after thousands of years mankind's philosophers still have not found a fully satisfying way to understand it. On the other hand, no other quantity can be measured with greater precision. Today's atomic clocks allow us to reproduce the length of the second as the SI unit of time with an uncertainty of a few parts in 1016—orders of magnitude better than any other quantity. In a sense, one can say [1

  10. Single atom measurement and atomic manipulation using atomic force microscope

    International Nuclear Information System (INIS)

    This paper explains studies to measure atomic force as the force linking an atom and atom, using an atomic force microscope (AFM). First, it describes the principle and device configuration of AFM, and as an example of the atomic force measurement of Si atoms on the surface of Si(111)-(7x7), it describes the technique to measure atomic force using AFM, as well as the uncertainty of probe tip against atomic force. In addition, it describes the following items on the measurement results of chemical bonding force: (1) chemical bonding force vs physical force and chemical bonding force vs current on the surface of Si(111)-(7x7), (2) chemical bonding force and element dependence on the surface of Si/Sn(111)-(√3x√3), (3) atomic manipulation based on AMF, and (4) relationship between atomic manipulation and the size of chemical bonding force with a probe. (A.O.)

  11. Asymptotic safety goes on shell

    International Nuclear Information System (INIS)

    It is well known in quantum field theory that the off-shell effective action depends on the gauge choice and field parametrization used in calculating it. Nevertheless, the typical scheme in which the scenario of asymptotically safe gravity is investigated is an off-shell version of the functional renormalization group equation. Working with the Einstein-Hilbert truncation as a test bed, we develop a new scheme for the analysis of asymptotically safe gravity in which the on-shell part of the effective action is singled out and we show that the beta function for the essential coupling has no explicit gauge dependence. In order to reach our goal, we introduce several technical novelties, including a different decomposition of the metric fluctuations, a new implementation of the ghost sector and a new cut-off scheme. We find a nontrivial fixed point, with a value of the cosmological constant that is independent of the gauge-fixing parameters. (paper)

  12. Asymptotic safety goes on shell

    Science.gov (United States)

    Benedetti, Dario

    2012-01-01

    It is well known in quantum field theory that the off-shell effective action depends on the gauge choice and field parametrization used in calculating it. Nevertheless, the typical scheme in which the scenario of asymptotically safe gravity is investigated is an off-shell version of the functional renormalization group equation. Working with the Einstein-Hilbert truncation as a test bed, we develop a new scheme for the analysis of asymptotically safe gravity in which the on-shell part of the effective action is singled out and we show that the beta function for the essential coupling has no explicit gauge dependence. In order to reach our goal, we introduce several technical novelties, including a different decomposition of the metric fluctuations, a new implementation of the ghost sector and a new cut-off scheme. We find a nontrivial fixed point, with a value of the cosmological constant that is independent of the gauge-fixing parameters.

  13. Shell model Monte Carlo methods

    International Nuclear Information System (INIS)

    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 γ-soft nuclei, and calculation of double beta-decay matrix elements. Finally, prospects for further progress in such calculations are discussed. 87 refs

  14. Windows PowerShell 20 Bible

    CERN Document Server

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

    2011-01-01

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

  15. Learning Shell scripting with Zsh

    CERN Document Server

    Festari, Gaston

    2014-01-01

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

  16. On Closed Shells in Nuclei

    Science.gov (United States)

    Mayer, M. G.

    1948-02-01

    It has been suggested in the past that special numbers of neutrons or protons in the nucleus form a particularly stable configuration.{sup1} The complete evidence for this has never been summarized, nor is it generally recognized how convincing this evidence is. That 20 neutrons or protons (Ca{sup40}) form a closed shell is predicted by the Hartree model. A number of calculations support this fact.{sup2} These considerations will not be repeated here. In this paper, the experimental facts indicating a particular stability of shells of 50 and 82 protons and of 50, 82, and 126 neutrons will be listed.

  17. The Shell-Model Code NuShellX@MSU

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-15

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

  18. Inner-shell ionization by relativistic radiation pressure

    International Nuclear Information System (INIS)

    Absolute inner-shell ionization cross sections have been measured in the energy range 15 0 <= 65 [MeV] for elements with atomic numbers between 18 and 92 to study the interaction of relativistic electrons with bound electrons. Up to now no measurements were available in that energy range. In experiments concerning K-shells the measurement accuracy was about 4%. The deviations between the experimental data and the theoretical cross sections calculated on the basis of a relativistic quantum mechanical inonization theory are less then 10%. All measured data are covered within a variational width of 8% by a scaling law derived from a simple model. Using the measured X-ray spectra intensity ratios of characteristic L-lines could be determined. The method of X-ray fluorescence analysis with high energetic electrons in the MeV range has been used for the first time to analyze trace amounts of elements. (KBE)

  19. Stability of core–shell nanowires in selected model solutions

    Energy Technology Data Exchange (ETDEWEB)

    Kalska-Szostko, B., E-mail: kalska@uwb.edu.pl; Wykowska, U.; Basa, A.; Zambrzycka, E.

    2015-03-30

    Highlights: • Stability of the core–shell nanowires in environmental solutions were tested. • The most and the least aggressive solutions were determined. • The influence of different solutions on magnetic nanowires core was found out. - Abstract: 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.

  20. Stability of core–shell nanowires in selected model solutions

    International Nuclear Information System (INIS)

    Highlights: • Stability of the core–shell nanowires in environmental solutions were tested. • The most and the least aggressive solutions were determined. • The influence of different solutions on magnetic nanowires core was found out. - Abstract: 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

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

    Science.gov (United States)

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

    2012-07-01

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

  2. K-shell transitions in L-shell ions with the EBIT calorimeter spectrometer

    Science.gov (United States)

    Hell, Natalie; Brown, G. V.; Wilms, J.; Beiersdorfer, P.; Kelley, R. L.; Kilbourne, C. A.; Porter, F. S.

    2015-08-01

    With the large improvement in effective area of Astro-H's micro-calorimeter soft X-ray spectrometer (SXS) over grating spectrometers, high-resolution X-ray spectroscopy with good signal to noise will become more commonly available, also for faint and extended sources. This will result in a range of spectral lines being resolved for the first time in celestial sources, especially in the Fe region. However, a large number of X-ray line energies in the atomic databases are known to a lesser accuracy than that expected for Astro-H/SXS, or have no known uncertainty at all. To benchmark the available calculations, we have therefore started to measure reference energies of K-shell transition in L-shell ions for astrophysically relevant elements in the range 11 ≤ Z ≤ 28 (Na to Ni), using the Lawrence Livermore National Laboratory's EBIT-I electron beam ion trap coupled with the NASA/GSFC EBIT calorimeter spectrometer (ECS). The ECS has a resolution of ~5eV, i.e., similar to Astro-H/SXS and Chandra/HETG. A comparison to crystal spectra of lower charge states of sulfur with ~0.6eV resolution shows that the analysis of spectra taken at ECS resolution allows us to determine the transition energies of the strongest components.Work at LLNL was performed under the auspices of DOE under contract DE-AC52-07NA27344 and supported by NASA's APRA program.

  3. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

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

    2005-01-01

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

  4. RHFPPP, SCF-LCAO-MO Calculation for Closed Shell and Open Shell Organic Molecules

    International Nuclear Information System (INIS)

    1 - Nature of physical problem solved: Complete program performs SCF-LCAO-MO calculations for both closed and open-shell organic pi-molecules. The Pariser-Parr-People approximations are used with- in the framework of the restricted Hartree-Fock method. The SCF calculation is followed, if desired, by a variational configuration interaction (CI) calculation including singly excited configurations. 2 - Method of solution: A standard procedure is used; at each step a real symmetric matrix has to be diagonalized. The self-consistency is checked by comparing the eigenvectors between two consecutive steps. 3 - Restrictions on the complexity of the problem: i) The calculations are restricted to planar molecules. ii) In order to avoid accumulation of round-off errors, in the iterative procedure, double precision arithmetic is used. iii) The program is restricted to systems up to about 16 atoms; however the size of the systems can easily be modified if required

  5. Cross Sections for Inner-Shell Ionization by Electron Impact

    International Nuclear Information System (INIS)

    An analysis is presented of measured and calculated cross sections for inner-shell ionization by electron impact. We describe the essentials of classical and semiclassical models and of quantum approximations for computing ionization cross sections. The emphasis is on the recent formulation of the distorted-wave Born approximation by Bote and Salvat [Phys. Rev. A 77, 042701 (2008)] that has been used to generate an extensive database of cross sections for the ionization of the K shell and the L and M subshells of all elements from hydrogen to einsteinium (Z = 1 to Z = 99) by electrons and positrons with kinetic energies up to 1 GeV. We describe a systematic method for evaluating cross sections for emission of x rays and Auger electrons based on atomic transition probabilities from the Evaluated Atomic Data Library of Perkins et al. [Lawrence Livermore National Laboratory, UCRL-ID-50400, 1991]. We made an extensive comparison of measured K-shell, L-subshell, and M-subshell ionization cross sections and of Lα x-ray production cross sections with the corresponding calculated cross sections. We identified elements for which there were at least three (for K shells) or two (for L and M subshells) mutually consistent sets of cross-section measurements and for which the cross sections varied with energy as expected by theory. The overall average root-mean-square deviation between the measured and calculated cross sections was 10.9% and the overall average deviation was −2.5%. This degree of agreement between measured and calculated ionization and x-ray production cross sections was considered to be very satisfactory given the difficulties of these measurements

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

    CERN Document Server

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

    2015-01-01

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

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

    Science.gov (United States)

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

    1982-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Khalid Madiha

    2009-01-01

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

  9. Interplay of electronic and geometry shell effects in properties of neutral and charged Sr clusters

    DEFF Research Database (Denmark)

    Lyalin, Andrey; Solov'yov, Ilia; Solov'yov, Andrey V.;

    2007-01-01

    The optimized structure and electronic properties of neutral, singly, and doubly charged strontium clusters have been investigated using ab initio theoretical methods based on density-functional theory. We have systematically calculated the optimized geometries of neutral, singly, and doubly...... 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 that the...... size evolution of structural and electronic properties of strontium clusters is governed by an interplay of the electronic and geometry shell closures. Influence of the electronic shell effects on structural rearrangements can lead to violation of the icosahedral growth motif of strontium clusters. It...

  10. The elastic scattering of electrons from atoms and ions containing core holes

    Energy Technology Data Exchange (ETDEWEB)

    Al-Mulla, S Y Yousif [College of Engineering, University of Boras, S-50190 Boras (Sweden)

    2004-01-28

    Differential cross sections for the elastic scattering of electrons from the ground states of the closed shell atomic systems Ne, Ar and Na{sup +}, and the excited states of the open shell systems containing a highly localized core hole obtained by removing a single electron from any one of the occupied shells of these closed shell systems, have been calculated. Local density approximations to the exchange and correlation potentials have been used in these calculations. A comparison of the calculated results with other experimental and theoretical data is shown and discussed.

  11. Statistical mechanics of thin spherical shells

    CERN Document Server

    Kosmrlj, Andrej

    2016-01-01

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

  12. Method and apparatus for an inflatable shell

    Science.gov (United States)

    Johnson, Christopher J. (Inventor)

    2012-01-01

    A method of assembling an inflatable shell of a structure comprises folding a plurality of shell sections about a set of fold lines and integrating the plurality of shell sections together with one another to form the shell. In another embodiment, an inflatable shell comprises a plurality of shell sections, each shell section having two pairs of fold lines for folding into stowage comprising a first gore section having a plurality of first gore panels layered and collectively folded about at a first set of fold lines. Each layer of the first gore panels and second gore panels are configured such that, once the first gore panel and second gore panel are attached to one another at the respective side edges of each panel, the lines of attachment forming a second set of fold lines for the shell section. A system and method for fabricating gore panels is also disclosed.

  13. Relativistic K shell decay rates and fluorescence yields for Zn, Cd and Hg

    OpenAIRE

    C. Casteleiro; Parente, F.; Indelicato, Paul; P. Marques, J.

    2009-01-01

    In this work we use the multiconfiguration Dirac-Fock method to calculate the transition probabilities for all possible decay channels, radiative and radiationless, of a K shell vacancy in Zn, Cd and Hg atoms. The obtained transition probabilities are then used to calculate the corresponding fluorescence yields which are compared to existing theoretical, semi-empirical and experimental results.

  14. Effects of lowly ionized ions on silicon K-shell absorption spectra

    Science.gov (United States)

    Wei, H. G.; Shi, J. R.; Liang, G. Y.; Wang, F. L.; Zhong, J. Y.; Zhao, G.

    2016-05-01

    Context. In both astrophysical and laboratory plasmas, K-shell absorption spectra have become powerful diagnostic tools to investigate electron density and temperature. These spectra are also widely used to verify the opacity codes in laboratory settings. Aims: We report the effects of the low ionization silicon ions, namely from Si I to Si V, which have rarely been considered in previous models, on the K-shell silicon absorption spectra. Methods: The Si K-shell atomic data were calculated with the flexible atomic code, which is a fully relativistic atomic program with configuration interaction taken into consideration. Detailed level accounting models were employed to calculate the absorption spectra. Results: We calculate the Si absorption spectra in local thermodynamic equilibrium conditions with temperature and density ranges of 20-70 eV and ~1020 cm-3 to ~1022 cm-3, respectively, and show the contributions of the lowly ionized ions to the K-shell absorption spectra of silicon. We also investigate the effects of the different atomic data on the absorption spectra. We find good agreement between our results and these from OPLIB. Conclusions: We find that the contributions from these lowly ionized ions cannot be neglected at relative low temperatures. Accurate experimental measurements are needed to benchmark the theoretical calculations.

  15. Structural and magnetic properties of CoO-Pt core-shell nanoparticles

    Czech Academy of Sciences Publication Activity Database

    Zeleňáková, A.; Zeleňák, V.; Michalik, Štefan; Kováč, J.; Meisel, M. W.

    2014-01-01

    Roč. 89, č. 10 (2014), "104417-1"-"104417-10". ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : CoO-Pt core shell nanoparticles * superparamagnetism * superspin glass state * x-ray diffraction * x-ray absorption spectroscopy Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 3.736, year: 2014

  16. Stability of facetted translation shells

    DEFF Research Database (Denmark)

    Almegaard, Henrik; Vanggaard, Ole

    2004-01-01

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

  17. Shell energy scenarios to 2050

    International Nuclear Information System (INIS)

    Shell developed two scenarios that describe alternative ways the energy future may develop. In the first scenario (Scramble) policymakers pay little attention to more efficient energy use until supplies are tight. Likewise, greenhouse gas emissions are not seriously addressed until there are major climate shocks. In the second scenario (Blueprints) growing local actions begin to address the challenges of economic development, energy security and environmental pollution. A price is applied to a critical mass of emissions giving a huge stimulus to the development of clean energy technologies, such as carbon dioxide capture and storage, and energy efficiency measures. The result is far lower carbon dioxide emissions. Both these scenarios can help Shell to test their strategy against a range of possible developments over the long-term. However, according to Shell, the Blueprints' outcomes offer the best hope for a sustainable future, whether or not they arise exactly in the way described. However, with the right combination of policy, technology and commitment from governments, industry and society globally, Shell believes it can be realized. But achieving the targets will not be easy, and time is short. Clear thinking, huge investment, and effective leadership are required

  18. Shell and Oxy set sales

    International Nuclear Information System (INIS)

    This article focuses on the development of the Malampaya-Camagao gasfield by the joint owners Shell Philippines and Occidental Philippines. The signing of a memoranda of understanding for the sale of the gas, negotiations on gas prices, development concepts, production options, the routing of an offshore pipeline, and planned construction are discussed. (UK)

  19. INVESTIGATION OF PRECAUST PRESTRESSED SHELL

    Directory of Open Access Journals (Sweden)

    Alexander S. Zhiv

    2008-02-01

    Full Text Available  The paper focuses on construction, production and erection of elements, methodology of testing and researching results of precaust prestressed shell from light concrete with dimensions 12×24m, which is used for covering of industrial building.

  20. Nonlinear theory of elastic shells

    International Nuclear Information System (INIS)

    Nonlinear theory of elastic shells is developed which incorporates both geometric and physical nonlinearities and which does not make use of the well known Love-Kirchhoff hypothesis. The resulting equations are formulated in tensorial notation and are reduced to the ones of common use when simplifying assumptions encountered in the especific litterature are taken. (Author)

  1. Applications of Continuum Shell Model

    OpenAIRE

    Volya, Alexander

    2006-01-01

    The nuclear many-body problem at the limits of stability is considered in the framework of the Continuum Shell Model that allows a unified description of intrinsic structure and reactions. Technical details behind the method are highlighted and practical applications combining the reaction and structure pictures are presented.

  2. Shell evolution and nuclear forces

    International Nuclear Information System (INIS)

    We present a quantitative study of the role played by different components characterizing the nucleon-nucleon interaction in the evolution of the nuclear shell structure. It is based on the spin-tensor decomposition of an effective two-body shell-model interaction and the subsequent study of effective single-particle energy variations in a series of isotopes or isotones. The technique allows to separate unambiguously contributions of the central, vector and tensor components of the realistic effective interaction. We show that while the global variation of the single-particle energies is due to the central component of the effective interaction, the characteristic behavior of spin-orbit partners, noticed recently, is mainly due to its tensor part. Based on the analysis of a well-fitted realistic interaction in the sdpf shell-model space, we analyze in detail the role played by the different terms in the formation and/or disappearance of N=16, N=20 and N=28 shell gaps in neutron-rich nuclei.

  3. Euclidean Approach for Entropy of Black Shells

    CERN Document Server

    S., J Robel Arenas

    2016-01-01

    We introduce the concept of black shell, consisting on a massive thin spherical shell contracting toward its gravitational radius from the point of view of an external observer far from the shell, in order to effectively model the gravitational collapse. Considering complementary description of entanglement entropy of a black shell and according to Gibbons-Hawking Euclidean approach, we calculate the Bekenstein-Hawking entropy retrieving horizon integral and discarding boundary at infinity.

  4. Shell Global Solutions Ready to Benefit China

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ Thanks to rising oil prices, Global oil giant Royal Dutch Shell has made huge profits - $9 billion - last quarter. Yet the oil giant's main profits come from the exploration of crude oil. Shell Global Solution (SGS),a unit of Shell, is also focusing on providing advanced technology to help Shell's petroleum-related industry segments and its third-party customers to deal with the high price of fossil fuel.

  5. Structural Analysis of Thin Concrete Shells

    OpenAIRE

    Ghebreselasie, Hanibal Muruts; Situ, Yuting

    2015-01-01

    From the perspective of structural engineering, shells due to their spatial curvature, possess a structurally efficient way of carrying loads acting perpendicular to their surfaces. However, the nature and geometry of shells makes them complicated to understand or predict their structural behaviour. The structural analysis of thin concrete shells can be conducted numerically using finite element analysis(FEA) or/and analytically on the basis of classical theory of thin shells. ...

  6. Calculations of atomic multiplets across the periodic table

    OpenAIRE

    Zhang, Qian

    2014-01-01

    The goal of this thesis is to develop a simulation tool for the calculation and visualization of the multiplet structure of all atoms across the periodic table. The starting point are self- consistent calculations in the spherical-potential approximation. For the resulting atomic levels we calculate the ab-initio Slater parameters that define the electron-electron repulsion term of the many-body Hamiltonian. We then construct the eigen-states of the Hamiltonian on an open shell by constructin...

  7. 7 CFR 981.6 - Shelled almonds.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Shelled almonds. 981.6 Section 981.6 Agriculture... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE ALMONDS GROWN IN CALIFORNIA Order Regulating Handling Definitions § 981.6 Shelled almonds. Shelled almonds mean raw or roasted almonds...

  8. Stability of ribbed shells under sustained loads

    OpenAIRE

    V.M. Zhgoutov

    2010-01-01

    The nature of creep evolution in shell material with time was analised and visually presented (changes of deflections and of stress intensity are shown). It allows to get some regularities of buckling load decrease for different reinforced concrete shells under sustained loads. It would give a possibility to design wittingly firm and stably working shell concrete structures by rational choose of their design factors.

  9. 21 CFR 886.3800 - Scleral shell.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Scleral shell. 886.3800 Section 886.3800 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES OPHTHALMIC DEVICES Prosthetic Devices § 886.3800 Scleral shell. (a) Identification. A scleral shell is...

  10. A finite element for plates and shells

    International Nuclear Information System (INIS)

    A simple triangular finite element for plates and shells, is presented. Since the rotation fields are assumed independent of the displacement fields, the element allows one to solve thick shells problems. In the limit for thin shell, the Kirchoff-Love hypothesis is automatically satisfied, thus enlarging its range of application. (Author)

  11. Vibrations of cantilevered circular cylindrical shells Shallow versus deep shell theory

    Science.gov (United States)

    Lee, J. K.; Leissa, A. W.; Wang, A. J.

    1983-01-01

    Free vibrations of cantilevered circular cylindrical shells having rectangular planforms are studied in this paper by means of the Ritz method. The deep shell theory of Novozhilov and Goldenveizer is used and compared with the usual shallow shell theory for a wide range of shell parameters. A thorough convergence study is presented along with comparisons to previously published finite element solutions and experimental results. Accurately computed frequency parameters and mode shapes for various shell configurations are presented. The present paper appears to be the first comprehensive study presenting rigorous comparisons between the two shell theories in dealing with free vibrations of cantilevered cylindrical shells.

  12. Effective Field Theory and the No-Core Shell Model

    Directory of Open Access Journals (Sweden)

    Stetcua I.

    2010-04-01

    Full Text Available In finite model space suitable for many-body calculations via the no-core shell model (NCSM, I illustrate the direct application of the effective field theory (EFT principles to solving the many-body Schrödinger equation. Two different avenues for fixing the low-energy constants naturally arising in an EFT approach are discussed. I review results for both nuclear and trapped atomic systems, using effective theories formally similar, albeit describing different underlying physics.

  13. Inner-shell ionization and biological radiations effects

    International Nuclear Information System (INIS)

    Biological effects of K-ionizations followed by Auger cascades have been much studied to elucidate mechanisms of cell inactivation and DNA repair and to develop therapeutic applications. Experiments performed with incorporated radionuclides (125I) or incorporated elements (Br, I, P) photoionized in the K-shell using synchrotron radiation all displayed a K + Auger enhancement. The interest in K-ionization rose again when recent works suggested that K-ionizations in C, N, 0 atoms of DNA could be the primary physical events responsible for cell death induced by heavy ions. Photoabsorption experiments at the C-K threshold support this hypothesis. (authors)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-02-15

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

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

    International Nuclear Information System (INIS)

    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 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 NH3 dose, with a smaller dose giving an order-of-magnitude higher resistivity

  16. Shell Model Depiction of Isospin Mixing in sd Shell

    Energy Technology Data Exchange (ETDEWEB)

    Lam, Yi Hua; Smirnova, Nadya A. [CENBG (CNRS/IN2P3 - Universite Bordeaux 1) Chemin du Solarium, 33175 Gradignan (France); Caurier, Etienne [IPHC, IN2P3-CNRS et Universite Louis Pasteur, 67037 Strasbourg (France)

    2011-11-30

    We constructed a new empirical isospin-symmetry breaking (ISB) Hamiltonian in the sd(1s{sub 1/2}, 0d{sub 5/2} and 0d{sub 3/2}) shell-model space. In this contribution, we present its application to two important case studies: (i){beta}-delayed proton emission from {sup 22}Al and (ii) isospin-mixing correction to superallowed 0{sup +}{yields}0{sup +}{beta}-decay ft-values.

  17. Starting SCF Calculations by Superposition of Atomic Densities

    NARCIS (Netherlands)

    van Lenthe, J.H.; Zwaans, R.; van Dam, H.J.J.; Guest, M.F.

    2006-01-01

    We describe the procedure to start an SCF calculation of the general type from a sum of atomic electron densities, as implemented in GAMESS-UK. Although the procedure is well-known for closed-shell calculations and was already suggested when the Direct SCF procedure was proposed, the general procedu

  18. Core/shell composites with polystyrene cores and meso-silica shells as abrasives for improved chemical mechanical polishing behavior

    International Nuclear Information System (INIS)

    The core/shell-structured organic/inorganic composite abrasive has an important potential application in damage-free chemical mechanical polishing (CMP) due to its non-rigid mechanical property. In this work, the PS/MSiO2 composites, containing polystyrene (PS) sphere (211 ± 4 nm) cores and mesoporous silica shells (31 ± 3 nm in thickness) were synthesized through directed surface sol–gel process of tetraethylorthosilicate on the polymer cores in the presence of the cetyltrimethylammonium bromide surfactant. For comparison, the conventional core/shell PS/NSiO2 composites with non-porous silica shells were also prepared via a modified Stöber procedure that involved the hydrolysis of TEOS under acidic condition. The physical properties of the samples were examined by small-angle X-ray diffraction, fourier transform infrared spectroscopy, thermogravimetric analysis, transmission electron microscopy, field emission scanning electron microscopy, and nitrogen adsorption–desorption. As novel abrasives, the core/shell-structured PS/MSiO2 composites were introduced into the CMP process for silicon oxide films. The oxide-CMP performance among conventional solid silica particles, PS/NSiO2 composites, and novel PS/MSiO2 composites was explored by atomic force microscopy. Polishing results indicated that the substrate revealed a comparable root-mean-square surface roughness (0.25 ± 0.03 and 0.22 ± 0.02 nm, respectively) after CMP with PS/NSiO2 and PS/MSiO2 abrasives under the same polishing conditions. However, the material removal rate of the PS/MSiO2 composites (123 ± 15 nm/min) was about three times larger than that of the PS/NSiO2 composites (47 ± 13 nm/min). The reduced surface roughness and improved removal rate might be due to the optimization of the physical and/or chemical environments in the local contacting region between abrasives and substrates. The as-synthesized core/shell PS/MSiO2 composites with mesoporous shells are expected to

  19. Core/shell composites with polystyrene cores and meso-silica shells as abrasives for improved chemical mechanical polishing behavior

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yang, E-mail: cy.jpu@126.com; Qin, Jiawei; Wang, Yayun; Li, Zefeng [Changzhou University, School of Material Science and Engineering (China)

    2015-09-15

    The core/shell-structured organic/inorganic composite abrasive has an important potential application in damage-free chemical mechanical polishing (CMP) due to its non-rigid mechanical property. In this work, the PS/{sub M}SiO{sub 2} composites, containing polystyrene (PS) sphere (211 ± 4 nm) cores and mesoporous silica shells (31 ± 3 nm in thickness) were synthesized through directed surface sol–gel process of tetraethylorthosilicate on the polymer cores in the presence of the cetyltrimethylammonium bromide surfactant. For comparison, the conventional core/shell PS/{sub N}SiO{sub 2} composites with non-porous silica shells were also prepared via a modified Stöber procedure that involved the hydrolysis of TEOS under acidic condition. The physical properties of the samples were examined by small-angle X-ray diffraction, fourier transform infrared spectroscopy, thermogravimetric analysis, transmission electron microscopy, field emission scanning electron microscopy, and nitrogen adsorption–desorption. As novel abrasives, the core/shell-structured PS/{sub M}SiO{sub 2} composites were introduced into the CMP process for silicon oxide films. The oxide-CMP performance among conventional solid silica particles, PS/{sub N}SiO{sub 2} composites, and novel PS/{sub M}SiO{sub 2} composites was explored by atomic force microscopy. Polishing results indicated that the substrate revealed a comparable root-mean-square surface roughness (0.25 ± 0.03 and 0.22 ± 0.02 nm, respectively) after CMP with PS/{sub N}SiO{sub 2} and PS/{sub M}SiO{sub 2} abrasives under the same polishing conditions. However, the material removal rate of the PS/{sub M}SiO{sub 2} composites (123 ± 15 nm/min) was about three times larger than that of the PS/{sub N}SiO{sub 2} composites (47 ± 13 nm/min). The reduced surface roughness and improved removal rate might be due to the optimization of the physical and/or chemical environments in the local contacting region between abrasives

  20. Pressure Shell Approach to Integrated Environmental Protection

    Science.gov (United States)

    Kennedy, Kriss J.

    2011-01-01

    The next generation of exploration mission human systems will require environmental protection such as radiation protection that is effective and efficient. In order to continue human exploration, habitat systems will require special shells to protect astronauts from hostile environments. The Pressure Shell Approach to integrated environmental (radiation) protection is a multi-layer shell that can be used for multifunctional environmental protection. Self-healing, self-repairing nano technologies and sensors are incorporated into the shell. This shell consists of multiple layers that can be tailored for specific environmental protection needs. Mainly, this innovation focuses on protecting crew from exposure to micrometeorites, thermal, solar flares, and galactic cosmic ray (GCR) radiation. The Pressure Shell Approach consists of a micrometeoroid and secondary ejecta protection layer; a thin, composite shell placed in between two layers that is non-structural; an open cavity layer that can be filled with water, regolith, or polyethylene foam; a thicker composite shell that is a structural load bearing that is placed between two layers; and a bladder coating on the interior composite shell. This multi-layer shell creates an effective radiation protection system. Most of its layers can be designed with the materials necessary for specific environments. In situ materials such as water or regolith can be added to the shell design for supplemental radiation protection.

  1. Recent developments in anisotropic heterogeneous shell theory

    CERN Document Server

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

    2016-01-01

    This volume focuses on the relevant general theory and presents some first applications, namely those based on classical shell theory. After a brief introduction, during which the history and state-of-the-art are discussed, the first chapter presents the mechanics of anisotropic heterogeneous shells, covering all relevant assumptions and the basic relations of 3D elasticity, classical and refined shell models. The second chapter examines the numerical techniques that are used, namely discrete orthogonalization, spline-collocation and Fourier series, while the third highlights applications based on classical theory, in particular, the stress-strain state of shallow shells, non-circular shells, shells of revolution, and free vibrations of conical shells. The book concludes with a summary and an outlook bridging the gap to the second volume.

  2. Indentation of Ellipsoidal and Cylindrical Elastic Shells

    KAUST Repository

    Vella, Dominic

    2012-10-01

    Thin shells are found in nature at scales ranging from viruses to hens\\' eggs; the stiffness of such shells is essential for their function. We present the results of numerical simulations and theoretical analyses for the indentation of ellipsoidal and cylindrical elastic shells, considering both pressurized and unpressurized shells. We provide a theoretical foundation for the experimental findings of Lazarus etal. [following paper, Phys. Rev. Lett. 109, 144301 (2012)PRLTAO0031-9007] and for previous work inferring the turgor pressure of bacteria from measurements of their indentation stiffness; we also identify a new regime at large indentation. We show that the indentation stiffness of convex shells is dominated by either the mean or Gaussian curvature of the shell depending on the pressurization and indentation depth. Our results reveal how geometry rules the rigidity of shells. © 2012 American Physical Society.

  3. Elemental Analysis of Shells by Nuclear Technique

    International Nuclear Information System (INIS)

    Quantitative analysis of strontium(Sr) and calcium(Ca) in fresh water shell and sea shell was studied by X-ray Fluorescence (XRF) technique with Emission-Transmission(E-T) method, using isotope X-ray sources of plutonium-238(Pu-238) and americium-241(Am-241), and comparing with Neutron Activation Analysis technique in TRR-1/M1 reactor. The results show that the calcium content in both types of shells are almost the same, but strontium in sea shell is 3-4 times higher than that in fresh water shell. Moreover, the results can verify the region that used to be the river or ocean. The high ratio of strontium to calcium in many types of the shells from Wat Jaedeehoi, Patumthanee province show the specific character of sea shell.So it can be concluded that this region used to be the ocean in the past

  4. Turbine blade with spar and shell

    Science.gov (United States)

    Davies, Daniel O.; Peterson, Ross H.

    2012-04-24

    A turbine blade with a spar and shell construction in which the spar and the shell are both secured within two platform halves. The spar and the shell each include outward extending ledges on the bottom ends that fit within grooves formed on the inner sides of the platform halves to secure the spar and the shell against radial movement when the two platform halves are joined. The shell is also secured to the spar by hooks extending from the shell that slide into grooves formed on the outer surface of the spar. The hooks form a serpentine flow cooling passage between the shell and the spar. The spar includes cooling holes on the lower end in the leading edge region to discharge cooling air supplied through the platform root and into the leading edge cooling channel.

  5. Expansion of X-ray form factor for close shell using uncorrelated wave function

    Energy Technology Data Exchange (ETDEWEB)

    AL-Robayi, Enas M. [Babylon University , College of Science for Women, laser Physics Department, Hilla (Iraq)

    2013-12-16

    The atomic scattering factor has been studied for Be+ve, and B+2ve ions using the uncorrelated wave function (Hartree-Fock (HF)) for inter particle electronic shells. The physical importance of this factor appears in its relation to several important atomic properties as, the coherent scattering intensity, the total scattering intensity, the incoherent scattering function, the coherent scattering cross section, the total incoherent cross section, the nuclear magnetic shielding constant, the geometrical structure factor. Also there is one atomic properties the one particle radial density distribution function D(r)has been studied using the partitioning technique.

  6. Atomic density functions: atomic physics calculations analyzed with methods from quantum chemistry

    CERN Document Server

    Borgoo, Alex; Geerlings, P

    2011-01-01

    This contribution reviews a selection of findings on atomic density functions and discusses ways for reading chemical information from them. First an expression for the density function for atoms in the multi-configuration Hartree--Fock scheme is established. The spherical harmonic content of the density function and ways to restore the spherical symmetry in a general open-shell case are treated. The evaluation of the density function is illustrated in a few examples. In the second part of the paper, atomic density functions are analyzed using quantum similarity measures. The comparison of atomic density functions is shown to be useful to obtain physical and chemical information. Finally, concepts from information theory are introduced and adopted for the comparison of density functions. In particular, based on the Kullback--Leibler form, a functional is constructed that reveals the periodicity in Mendeleev's table. Finally a quantum similarity measure is constructed, based on the integrand of the Kullback--L...

  7. Shell Evolutions and Nuclear Forces

    CERN Document Server

    Sorlin, O

    2014-01-01

    During the last 30 years, and more specifically during the last 10 years, many experiments have been carried out worldwide using different techniques to study the shell evolution of nuclei far from stability. What seemed not conceivable some decades ago became rather common: all known magic numbers that are present in the valley of stability disappear far from stability and are replaced by new ones at the drip line. By gathering selected experimental results, beautifully consistent pictures emerge, that very likely take root in the properties of the nuclear forces.The present manuscript describes some of these discoveries and proposes an intuitive understanding of these shell evolutions derived from observations. Extrapolations to yet unstudied regions, as where the explosive r-process nucleosynthesis occurs, are proposed. Some remaining challenges and puzzling questions are also addressed.

  8. Shell Evolutions and Nuclear Forces

    Directory of Open Access Journals (Sweden)

    Sorlin O.

    2014-03-01

    Full Text Available 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.

  9. Slow pyrolysis of pistachio shell

    Energy Technology Data Exchange (ETDEWEB)

    Esin Apaydin-Varol; Ersan Putun; Ayse E. Putun [Anadolu University, Eskisehir (Turkey). Department of Chemical Engineering

    2007-08-15

    In this study, pistachio shell is taken as the biomass sample to investigate the effects of pyrolysis temperature on the product yields and composition when slow pyrolysis is applied in a fixed-bed reactor at atmospheric pressure to the temperatures of 300, 400, 500, 550, 700{sup o}C. The maximum liquid yield was attained at about 500-550{sup o}C with a yield of 20.5%. The liquid product obtained under this optimum temperature and solid products obtained at all temperatures were characterized. As well as proximate and elemental analysis for the products were the basic steps for characterization, column chromatography, FT-IR, GC/MS and SEM were used for further characterization. The results showed that liquid and solid products from pistachio shells show similarities with high value conventional fuels. 31 refs., 9 figs., 1 tab.

  10. Shell trips over its reserves

    International Nuclear Information System (INIS)

    Some mistakes in the evaluation of the proven reserves of Royal Dutch Shell group, the second world petroleum leader, will oblige the other oil and gas companies to be more transparent and vigilant in the future. The proven reserves ('P90' in petroleum professionals' language) are the most important indicators of the mining patrimony of companies. These strategic data are reported each year in the annual reports of the companies and are examined by the security exchange commission. The evaluation of reserves is perfectly codified by the US energy policy and conservation act and its accountable translation using the FAS 69 standard allows to establish long-term cash-flow forecasts. The revision announced by Shell on January 9 leads to a 20% reduction of its proven reserves. Short paper. (J.S.)

  11. The shell coal gasification process

    Energy Technology Data Exchange (ETDEWEB)

    Koenders, L.O.M.; Zuideveld, P.O. [Shell Internationale Petroleum Maatschappij B.V., The Hague (Netherlands)

    1995-12-01

    Future Integrated Coal Gasification Combined Cycle (ICGCC) power plants will have superior environmental performance and efficiency. The Shell Coal Gasification Process (SCGP) is a clean coal technology, which can convert a wide range of coals into clean syngas for high efficiency electricity generation in an ICGCC plant. SCGP flexibility has been demonstrated for high-rank bituminous coals to low rank lignites and petroleum coke, and the process is well suited for combined cycle power generation, resulting in efficiencies of 42 to 46% (LHV), depending on choice of coal and gas turbine efficiency. In the Netherlands, a 250 MWe coal gasification combined cycle plant based on Shell technology has been built by Demkolec, a development partnership of the Dutch Electricity Generating Board (N.V. Sep). The construction of the unit was completed end 1993 and is now followed by start-up and a 3 year demonstration period, after that the plant will be part of the Dutch electricity generating system.

  12. Atomic Orbitals for the New Millennium

    CERN Document Server

    Williams, J M

    1999-01-01

    This very short article introduces a set of nested atomic orbitals, called MCAS, to replace the current s, p, d, and f orbitals. The simplest orbital is a tetrahedrally directed, four lobed, mono-orbital instead of the spherical s orbital. All the other orbitals, no matter what their energy (shell) level is, are nested with this one. All the electrons have the same spin and only one electron is allotted to each orbital. Electron spin pairing is accomplished through opposing orbitals instead of actual electron spin reversal. Orbital energy level is maintained by nuclear propulsion through perigee kick. Orbitals hybridize as Aufbau proceeds, in contrast to the inflexible, current building model. The inert gases have completely uniform electronic shells that contain only one orbital type per shell. Since outer completed shells have only one type of orbital, all eight outer electrons are identical rather than being of two types as occurs in the current model; hence, Lewis' electron-dot octet. Hydrogen should resi...

  13. Stochastic Analysis of Cylindrical Shell

    Directory of Open Access Journals (Sweden)

    Grzywiński Maksym

    2014-06-01

    Full Text Available The paper deals with some chosen aspects of stochastic structural analysis and its application in the engineering practice. The main aim of the study is to apply the generalized stochastic perturbation techniques based on classical Taylor expansion with a single random variable for solution of stochastic problems in structural mechanics. The study is illustrated by numerical results concerning an industrial thin shell structure modeled as a 3-D structure.

  14. Textile forwork for concrete shell

    OpenAIRE

    ADRIAENSSENS, Sigrid; DE TERMMERMAN, Niels; DE LAET, Lars; GULDENTOPS, Laurent; MOLLAERT, Marijke

    2009-01-01

    p. 1743-1754 Fabric formwork is a new application for textile membranes that provides numerous advantages and new opportunities for architecture and engineering compared to well known traditional formworks. The installation of fabric formwork requires less manual labor and has reduced material, storage, and transportation costs. But the most significant advantage of fabric moulds is the form freedom and structural performance they offer to shell design. This paper presents the state...

  15. Revealing inner shell dynamics with inelastic X-ray scattering

    International Nuclear Information System (INIS)

    One of the many opportunities provided by the Advanced Photon Source (APS) is to extend the study of intra-atomic dynamics. As a means of testing dynamic response, inelastic x-ray scattering is particularly promising since it allows us to independently vary the period of the exciting field in both space and time. As an example of this type of work, the author presents experiments performed at the Cornell High Energy Synchrotron Source (CHESS) laboratory, a prototype for the APS. This was inner shell inelastic scattering with a twist: in order to explore a new distance scale an x-ray fluorescence trigger was employed. Aside for the atomic insight gained, the experiment taught them the importance of the time structure of the synchrotron beam for coincidence experiments which are dominated by accidental events

  16. Fracture mechanics of mollusc shells

    Energy Technology Data Exchange (ETDEWEB)

    Cortie, Michael B. [Institute for Nanoscale Technology, University of Technology, Sydney (Australia)]. E-mail: michael.cortie@uts.edu.au; McBean, Katie E. [Microstructural Analysis Unit, University of Technology, Sydney (Australia); Elcombe, Margaret M. [Bragg Institute, Australian Nuclear Science and Technology Organisation, PMB 1, NSW (Australia)

    2006-11-15

    The shape and structure of the shells of molluscs has attracted considerable attention. One aspect of interest is the comparatively high resistance to fracture of these shells. It is known that they are composite structures of aragonite, other calcereous materials, and up to 5% by volume of protein 'glue'. A large component of their toughening derives from crack tip blunting, deflection and closure, concepts well-known from the field of fracture mechanics. However, the possibility that they might also derive a measure of toughening from a residual stress distribution has been generally overlooked, although Illert first raised this over a decade ago. The optimum situation would be when the inner surface of the shell is maintained in a state of tensile stress, while the outer layers are in the necessarily counter-balancing compressive state. We have examined this hypothesis using a combination of neutron diffraction and scanning electron microscopy and find that it is certainly feasible. However, a definitive proof will require a diffraction study at higher resolution.

  17. Shell evolutions and nuclear forces

    International Nuclear Information System (INIS)

    Combining all experimental discoveries, some remarkable and general shell evolutions can be observed in the chart of nuclides. In the present contribution, the striking analogy between the behavior of the harmonic oscillator gaps N=8, 20 and 40 from the valley of stability to more neutron-rich regions is presented in section 2. The onset of deformation through intruder configurations at N=20 is depicted in section 3 using two recent experimental studies on the 34Si and 32Mg isotones. Section 4 proposes to study the evolution of the neutron single particle energies of the neutron d3/2, f7/2 and p3/2 orbitals between which the N=20 and N=28 gaps are formed. The underlying nuclear forces leading to the disappearance of the N=20 shell gap and the swapping between the f7/2 and p3/2 orbit is described. Section 5 shows that a hierarchy in the nuclear forces is responsible for these drastic shell evolutions. A generalization of this mechanism to other regions of the chart of nuclides (around 60Ca, below 78Ni and below 132Sn where the r-process nucleosynthesis occurs) is also proposed

  18. Asymptotic safety goes on shell

    CERN Document Server

    Benedetti, Dario

    2011-01-01

    It is well known in quantum field theory that the off-shell effective action depends on the gauge choice and field parametrization used in calculating it. Nevertheless, the typical scheme in which the scenario of asymptotically safe gravity is investigated is an off-shell version of the functional renormalization group equation. Working with the Einstein-Hilbert truncation as a test bed, we develop a new scheme for the analysis of asymptotically safe gravity in which the on-shell part of the effective action is singled out and we show that the beta function for the essential coupling has no explicit gauge-dependence. In order to reach our goal, we introduce several technical novelties, including a different decomposition of the metric fluctuations, a new implementation of the ghost sector, and a new cut-off scheme. We find a non-trivial fixed point, with a value of the cosmological constant which is independent of the gauge-fixing parameters.

  19. Plastic buckling of cylindrical shells

    International Nuclear Information System (INIS)

    Cylindrical shells exhibit buckling under axial loads at stresses much less than the respective theoretical critical stresses. This is due primarily to the presence of geometrical imperfections even though such imperfections could be very small (e.g., comparable to thickness). Under internal pressure, the shell regains some of its buckling strength. For a relatively large radius-to-thickness ratio and low internal pressure, the effect can be reasonably estimated by an elastic analysis. However, for low radius-to-thickness ratios and greater pressures, the elastic-plastic collapse controls the failure load. in order to quantify the elastic-plastic buckling capacity of cylindrical shells, an analysis program was carried out by use of the computer code BOSOR5 developed by Bushnell of Lockheed Missiles and Space Company. The analysis was performed for various radius-to-thickness ratios and imperfection amplitudes. The purpose of the analytical program was to compute the buckling strength of underground cylindrical tanks, that are used for storage of nuclear wastes, for realistic geometric imperfections and internal pressure loads. This paper presents the results of the elastic-plastic analyses and compares them with other available information for various pressure loads

  20. New empirical formulae for calculation of average M-shell fluorescence yields

    International Nuclear Information System (INIS)

    We have calculated and reviewed in a table form the average bulk M-shell fluorescence yield previously measured by different groups covering the period from 1955 to 2005. We have interpolated the weighted and unweighted mean values of the experimental data by using the analytical function (ω¯M/(1−ω¯M))1/4 as a function of the atomic number (Z) to deduce the empirical average M-shell fluorescence yield in the atomic range of 70≤Z≤92. Also, we used the famous formula ω¯M=A(Z−13)4 to generalize the average M-shell fluorescence yield for elements with 19≤Z≤100. The results have been compared with other theoretical, experimental and empirical values reported in the literature and a reasonable agreement has been obtained. - Highlights: • The collected average M-shell fluorescence yields cover the period from 1955 to 2005. • Three procedures are followed to deduce the average M-shell fluorescence yield. • The obtained results are compared with others works. • Reasonable agreement was typically obtained between our result and other works

  1. Controlling interactions between highly-magnetic atoms with Feshbach resonances

    CERN Document Server

    Kotochigova, Svetlana

    2014-01-01

    This paper reviews current experimental and theoretical progress in the study of dipolar quantum gases of ground and meta-stable atoms with a large magnetic moment. We emphasize the anisotropic nature of Feshbach resonances due to coupling to fast-rotating resonant molecular states in ultracold s-wave collisions between magnetic atoms in external magnetic fields. The dramatic differences in the distribution of resonances of magnetic $^7$S$_3$ 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.

  2. Diffusion behaviors of helium atoms at two Pd grain boundaries

    Institute of Scientific and Technical Information of China (English)

    XIA Ji-xing; HU Wang-yu; YANG Jian-yu; AO Bing-yun

    2006-01-01

    The diffusion behaviors of helium atoms at two symmetric grain boundaries (Σ5{210} and Σ3 {112}) of Pd were investigated using molecular dynamics simulations through an analytical embedded-atom method(MAEAM) model. The simulations demonstrate that the interstitial helium atoms are easily trapped at the grain boundaries and precipitated into clusters. Due to the closed-shell electronic configurations of both helium and palladium,Pd grain boundaries yield strong capability of retaining helium atoms. By calculating the mean square displacements(MSD) of an interstitial helium atom at the grain boundaries,the diffusion coefficients were determined,and the linear fits to Arrhenius relation. The diffusion activation energies of interstitial helium atom at these two Pd grain boundaries were also evaluated.

  3. "Bohr's Atomic Model."

    Science.gov (United States)

    Willden, Jeff

    2001-01-01

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

  4. Inner-Shell Photoionization: Teijo Aaberg's Concept of RRRS

    International Nuclear Information System (INIS)

    Teijo Aaberg died on December 29, 2000 - and with his passing we have lost a gifted and important member of our community. Over the years Teijo has made many major contributions to the science of x-ray and inner-shell physics. Perhaps the most visionary of these was his idea of radiative and radiationless resonant Raman scattering (RRRRS) [1]. This arose as an outgrowth of his earlier thoughts on Auger [2] and x-ray [3] processes. It is visionary in that it attempts to unify the various aspects of inner-shell photoexcitation and decay as different aspects of the same basic process, i.e. resonant inelastic x-ray scattering. In honor and memory of Teijo, and as a last attempt to promote his ideas, I describe here the theory and some of its consequences. First, RRRRS is outlined in a semi-rigorous form, with emphasis placed on the physical nature of the concepts. Then, using the example of atomic K-shell photoionization, we see how features such as fluorescence and photoelectron lines arise in a natural way as manifestations of resonance scattering

  5. Shell structure of potassium isotopes deduced from their magnetic moments

    CERN Document Server

    Papuga, J; Kreim, K; Barbieri, C; Blaum, K; De Rydt, M; Duguet, T; Garcia Ruiz, R F; Heylen, H; Kowalska, M; Neugart, R; Neyens, G; Nortershauser, W; Rajabali, M M; Sanchez, R; Smirnova, N; Soma, V; Yordanov, D T

    2014-01-01

    $\\textbf{Background:}$ Ground-state spins and magnetic moments are sensitive to the nuclear wave function, thus they are powerful probes to study the nuclear structure of isotopes far from stability. \\\\ \\\\ $\\textbf{Purpose:}$ Extend our knowledge about the evolution of the $1/2^+$ and $3/2^+$ states for K isotopes beyond the $N = 28$ shell gap. \\\\ \\\\ $\\textbf{Method:}$ High-resolution collinear laser spectroscopy on bunched atomic beams. \\\\ \\\\ $\\textbf{Results:}$ From measured hyperfine structure spectra of K isotopes, nuclear spins and magnetic moments of the ground states were obtained for isotopes from $N = 19$ up to $N = 32$. In order to draw conclusions about the composition of the wave functions and the occupation of the levels, the experimental data were compared to shell-model calculations using SDPF-NR and SDPF-U effective interactions. In addition, a detailed discussion about the evolution of the gap between proton $1d_{3/2}$ and $2s_{1/2}$ in the shell model and $\\textit{ab initio}$ framework is al...

  6. Shell structure, emerging collectivity, and valence p-n interactions

    Directory of Open Access Journals (Sweden)

    Cakirli R.B.

    2014-03-01

    Full Text Available The structure of atomic nuclei depends on the interactions of its constituents, protons and neutrons. These interactions play a key role in the development of configuration mixing and in the onset of collectivity and deformation, in changes to the single particle energies and magic numbers, and in the microscopic origins of phase transitional behavior. Particularly important are the valence proton-neutron interactions which can be studied experimentally using double differences of binding energies extracted from high-precision mass measurements. The resulting quantities, called δVpn, are average interaction strengths between the last two protons and the last two neutrons. Focusing on the Z=50-82, N=82-126 shells, we have considered a number of aspects of these interactions, ranging from their relation to the underlying orbits, their behaviour near close shells and throughout major shells, their relation to the onset of collectivity and deformation, and the appearance of unexpected spikes in δVpn values for a special set of heavy nuclei with nearly equal numbers of valence protons and neutrons. We have calculated spatial overlaps between proton and neutron Nilsson orbits and compared these with the experimental results. Finally we also address the relation between masses (separation energies, changes in structure and valence nucleon number.

  7. Cargo-shell and cargo-cargo couplings govern the mechanics of artificially loaded virus-derived cages

    Science.gov (United States)

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

    2016-04-01

    Nucleic acids are the natural cargo of viruses and key determinants that affect viral shell stability. In some cases the genome structurally reinforces the shell, whereas in others genome packaging causes internal pressure that can induce destabilization. Although it is possible to pack heterologous cargoes inside virus-derived shells, little is known about the physical determinants of these artificial nanocontainers' stability. Atomic force and three-dimensional cryo-electron microscopy provided mechanical and structural information about the physical mechanisms of viral cage stabilization beyond the mere presence/absence of cargos. We analyzed the effects of cargo-shell and cargo-cargo interactions on shell stability after encapsulating two types of proteinaceous payloads. While bound cargo to the inner capsid surface mechanically reinforced the capsid in a structural manner, unbound cargo diffusing freely within the shell cavity pressurized the cages up to ~30 atm due to steric effects. Strong cargo-cargo coupling reduces the resilience of these nanocompartments in ~20% when bound to the shell. Understanding the stability of artificially loaded nanocages will help to design more robust and durable molecular nanocontainers.Nucleic acids are the natural cargo of viruses and key determinants that affect viral shell stability. In some cases the genome structurally reinforces the shell, whereas in others genome packaging causes internal pressure that can induce destabilization. Although it is possible to pack heterologous cargoes inside virus-derived shells, little is known about the physical determinants of these artificial nanocontainers' stability. Atomic force and three-dimensional cryo-electron microscopy provided mechanical and structural information about the physical mechanisms of viral cage stabilization beyond the mere presence/absence of cargos. We analyzed the effects of cargo-shell and cargo-cargo interactions on shell stability after encapsulating two

  8. Nonperturbative shell correction to the Bethe-Bloch formula for the energy losses of fast charged particles

    Science.gov (United States)

    Matveev, V. I.; Makarov, D. N.

    2011-09-01

    A simple method including nonperturbative shell corrections has been developed for calculating energy losses on complex atoms. The energy losses of fast highly charged ions on neon, argon, krypton, and xenon atoms have been calculated and compared with experimental data. It has been shown that the inclusion of the non-perturbative shell corrections noticeably improves agreement with experimental data as compared to calculations by the Bethe-Bloch formula with the standard corrections. This undoubtedly helps to reduce the number of fitting parameters in various modifications of the Bethe-Bloch formula, which are usually determined semiempirically.

  9. Atomic Energy Basics, Understanding the Atom Series.

    Science.gov (United States)

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

  10. Two-photon decay in heavy atoms and ions

    International Nuclear Information System (INIS)

    We review the status of and comment on current developments in the field of two-photon decay in atomic physics research. Recent work has focused on two-photon decays in highly-charged ions and two-photon decay of inner-shell vacancies in heavy neutral atoms. We emphasize the importance of measuring the shape of the continuum emission in two-photon decay as a probe of relativistic effects in the strong central fields found in heavy atomic systems. New experimental approaches and their consequences will be discussed. (orig.)

  11. Transient x-ray absorption spectroscopy of hydrated halogen atom

    CERN Document Server

    Elles, Christopher G; Crowell, Robert A; Arms, Dohn A; Landahl, Eric C

    2007-01-01

    Time-resolved x-ray absorption spectroscopy monitors the transient species generated by one-photon detachment of an electron from aqueous bromide. Hydrated bromine atoms with a lifetime of ca. 17 ns were observed, nearly half of which react with excess Br- to form Br2-. The K-edge spectra of the Br atom and Br2- anion exhibit distinctive resonant transitions that are absent for the Br- precursor. The absorption spectra indicate that the solvent shell around a Br0 atom is defined primarily by hydrophobic interactions, in agreement with a Monte Carlo simulation of the solvent structure.

  12. Absorption spectrum of very low pressure atomic hydrogen

    CERN Document Server

    Moret-Bailly, Jacques

    2015-01-01

    Spectra of quasars result primarily from interactions of natural light with atomic hydrogen. A visible absorption of a sharp and saturated spectral line in a gas requires a low pressure, so a long path without blushing as a cosmological redshift. Burbidge and Karlsson observed that redshifts of quasars result from fundamental redshifts, written 3K and 4K, that cause a shift of absorbed beta and gamma lines of H to alpha gas line. Thus absorbed spectrum is shifted until an absorbed line overlaps with Lyman alpha line of gas: redshift only occurs if an alpha absorption pumps atoms to 2P state. Thus, space is divided into spherical shells centered on the quasar, containing or not 2P atoms. Neglecting collisional de-excitations in absorbing shells, more and more atoms are excited until amplification of a beam having a long path in a shell, thus perpendicular to the observed ray, is large enough for a superradiant flash at alpha frequency. Energy is provided by atoms and observed ray, absorbing a line at local Lym...

  13. Design, fabrication and testing of a prototype stressed-shell fuel isolation container

    International Nuclear Information System (INIS)

    Atomic Energy of Canada Limited is conducting and coordinating research into the development of engineered barriers for the disposal of unreprocessed irradiated fuel within a deep, stable geologic vault. In one approach, a containment shell of corrosion-resistant metal is proposed as the principal barrier to radionuclide release, giving a high probability of containment for at least 300 years, thus ensuring isolation of nearly all fission products for their hazardous lives. The simplest concept is the 'stressed-shell' container, designed with sufficient shell thickness to withstand the hydrostatic pressure within a 1000-m deep disposal vault postulated to have flooded with groundwater. This report describes the design, fabrication, analysis and hydrostatic testing of a full-scale stressed-shell prototype. The report concludes that the deformation and collapse performance of stressed-shell designs, based on short-term mechanical properties be modelled adequately by BOSOR 5, a commercially available stress-strain computer program. If the stressed-shell concept is retained as a viable fuel isolation concept, future analyses should include an assessment of the role of material creep on long-term container performance

  14. Dependence of internal conversion coefficient on atom state

    International Nuclear Information System (INIS)

    Calculations of the internal conversion coefficient (ICC) for the (Fe) atom d-shell containing 6 electrons at a maximum occupation number of 10 are presented. In the relativistic approach use is made of the multiconfiguration approximation, which makes it possible to take account of the intermediate coupling in nonfilled shells. The energy matrix has been calculated in the determinantal basis of these configurations and then diagonalized. Radial single-electron wave functions have been calculated by the relativistic method of the Hartry-Fock-Dirac self consistent field. Occupational numbers of Fe d-subshells for the 5D basic multiplet states are given. Atom electrical and magnetic ICC are analyzed. Electrical ICC are practically the same for all the levels. The electrical ICC calculated for one electron does not depend on the spin orientation. Magnetic ICC show considerable dependence of the atom state. Within the multiplet limits the ICC change smoothly, decreasing for higher levels

  15. Facile synthesis and enhanced luminescent properties of ZnO/HfO2 core-shell nanowires.

    Science.gov (United States)

    Zhang, Yuan; Lu, Hong-Liang; Wang, Tao; Ren, Qing-Hua; Gu, Yu-Zhu; Li, De-Hui; Zhang, David Wei

    2015-10-01

    The morphological, structural and photoluminescence properties of one-dimensional ZnO/HfO2 core-shell nanowires (NWs) with various thicknesses of HfO2 shell layers are studied in detail in this work. The ZnO NWs have been fabricated by a simple hydrothermal method, which are then coated by thin HfO2 shell layers using atomic layer deposition (ALD). The morphological and structural characterization demonstrates that the HfO2 shells with polycrystalline structures grow on the single-crystalline ZnO NWs conformally. Moreover, the ZnO/HfO2 core/shell NWs show remarkable enhanced ultraviolet (UV) emission with increasing thickness of the HfO2 shell layer compared with bare ZnO NWs. The UV emission intensity for the sample with HfO2 shell thickness of ∼16 nm is about 9 times higher than that of bare ZnO NWs. It mainly results from the decreased surface states by surface passivation of the HfO2 shell layer as well as a typical type-I band alignment in the ZnO/HfO2 core/shell structure. A model is also proposed to explain the evolution of the wide visible emission band with the relatively low intensity of the core/shell structures. Our results suggest that the ZnO/HfO2 core/shell structures have potential applications for high-efficiency optoelectronic devices such as UV light-emitting diodes and lasers. PMID:26339774

  16. Teach us atom structure

    International Nuclear Information System (INIS)

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

  17. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon

    2006-08-15

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

  18. Atomic phase diagram

    Institute of Scientific and Technical Information of China (English)

    LI Shichun

    2004-01-01

    Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.

  19. Ab Initio No-Core Shell Model

    Energy Technology Data Exchange (ETDEWEB)

    Barrett, B R; Navratil, P; Vary, J P

    2011-04-11

    A long-standing goal of nuclear theory is to determine the properties of atomic nuclei based on the fundamental interactions among the protons and neutrons (i.e., nucleons). By adopting nucleon-nucleon (NN), three-nucleon (NNN) and higher-nucleon interactions determined from either meson-exchange theory or QCD, with couplings fixed by few-body systems, we preserve the predictive power of nuclear theory. This foundation enables tests of nature's fundamental symmetries and offers new vistas for the full range of complex nuclear phenomena. Basic questions that drive our quest for a microscopic predictive theory of nuclear phenomena include: (1) What controls nuclear saturation; (2) How the nuclear shell model emerges from the underlying theory; (3) What are the properties of nuclei with extreme neutron/proton ratios; (4) Can we predict useful cross sections that cannot be measured; (5) Can nuclei provide precision tests of the fundamental laws of nature; and (6) Under what conditions do we need QCD to describe nuclear structure, among others. Along with other ab initio nuclear theory groups, we have pursued these questions with meson-theoretical NN interactions, such as CD-Bonn and Argonne V18, that were tuned to provide high-quality descriptions of the NN scattering phase shifts and deuteron properties. We then add meson-theoretic NNN interactions such as the Tucson-Melbourne or Urbana IX interactions. More recently, we have adopted realistic NN and NNN interactions with ties to QCD. Chiral perturbation theory within effective field theory ({chi}EFT) provides us with a promising bridge between QCD and hadronic systems. In this approach one works consistently with systems of increasing nucleon number and makes use of the explicit and spontaneous breaking of chiral symmetry to expand the strong interaction in terms of a dimensionless constant, the ratio of a generic small momentum divided by the chiral symmetry breaking scale taken to be about 1 GeV/c. The

  20. Ab Initio No-Core Shell Model

    International Nuclear Information System (INIS)

    A long-standing goal of nuclear theory is to determine the properties of atomic nuclei based on the fundamental interactions among the protons and neutrons (i.e., nucleons). By adopting nucleon-nucleon (NN), three-nucleon (NNN) and higher-nucleon interactions determined from either meson-exchange theory or QCD, with couplings fixed by few-body systems, we preserve the predictive power of nuclear theory. This foundation enables tests of nature's fundamental symmetries and offers new vistas for the full range of complex nuclear phenomena. Basic questions that drive our quest for a microscopic predictive theory of nuclear phenomena include: (1) What controls nuclear saturation; (2) How the nuclear shell model emerges from the underlying theory; (3) What are the properties of nuclei with extreme neutron/proton ratios; (4) Can we predict useful cross sections that cannot be measured; (5) Can nuclei provide precision tests of the fundamental laws of nature; and (6) Under what conditions do we need QCD to describe nuclear structure, among others. Along with other ab initio nuclear theory groups, we have pursued these questions with meson-theoretical NN interactions, such as CD-Bonn and Argonne V18, that were tuned to provide high-quality descriptions of the NN scattering phase shifts and deuteron properties. We then add meson-theoretic NNN interactions such as the Tucson-Melbourne or Urbana IX interactions. More recently, we have adopted realistic NN and NNN interactions with ties to QCD. Chiral perturbation theory within effective field theory (χEFT) provides us with a promising bridge between QCD and hadronic systems. In this approach one works consistently with systems of increasing nucleon number and makes use of the explicit and spontaneous breaking of chiral symmetry to expand the strong interaction in terms of a dimensionless constant, the ratio of a generic small momentum divided by the chiral symmetry breaking scale taken to be about 1 GeV/c. The resulting NN

  1. Subshell resolved L shell ionization of Bi and U induced by 16 - 45 keV electrons

    International Nuclear Information System (INIS)

    Electron induced inner-shell ionization is important for both fundamental and applied research. Ionization of outer atomic energy levels has been studied extensively than for inner levels. Knowledge of inner shell ionization cross sections is important in X-ray and Auger electron spectroscopy and in the fields of astrophysics, plasma physics, surface science and many more. At electron impact energies near the atomic binding energies the distortion of the wave functions from plane wave towards a spherical wave, due to the electrostatic field of the atoms, needs to be considered. The distorted wave Born approximation (DWBA) calculations, taking relativistic effects and exchange interaction into account, is used to estimate the K, L and M-shell ionization cross-section for the atoms. Earlier experiments on electron impact ionization studies focused mainly on K-shell ionization cross-section, while L and M-shell ionization data were hardly reported. A review of the existing L-shell ionization cross-section data shows that, while the X-ray production cross-sections by electron impact were reported quite a few times, the reporting of subshell resolved ionization cross-sections were rarely found near the ionization threshold region. In the present work, we have measured the X ray production cross-sections of different L lines of Bi and U induced by 16-45 keV electrons and converted the obtained values to the subshell specific ionization cross-sections. The experimental data are compared with the theoretical calculations based on the (DWBA) obtained from PENELOPE. To the best of our knowledge, the subshell resolved electron induced ionization cross-sections for the L-shell of Bi and U are reported here for the first time at the energy values near the corresponding ionization threshold. (author)

  2. Atomizer design for viscous-melt atomization

    Energy Technology Data Exchange (ETDEWEB)

    Czisch, C. [Chemical Engineering Department, University Bremen, Badgasteiner Str. 3, 28359 Bremen (Germany); Fritsching, U. [Chemical Engineering Department, University Bremen, Badgasteiner Str. 3, 28359 Bremen (Germany)], E-mail: ufri@iwt.uni-bremen.de

    2008-03-25

    The development of a gas atomization unit is introduced, which utilizes characteristic flow effects for efficient fragmentation of viscous liquids and melts. The proposed device combines a classical rotary atomizer with an external mixing gas atomizer. Here, the liquid stream is first transformed into a thin liquid sheet before disintegration. Thereby the specific surface energy is increased without breakup. The movement of the free flowing liquid film is controlled by the local gas flow field in order to transport the film into the most effective atomization region. The fragmentation process itself is caused by a perpendicular impinging gas stream. Numerical flow simulations are used for the development of the hybrid atomizer construction. Experiments using viscous model liquids show that for constant air-to-liquid mass-flow ratio the particle size is reduced using the hybrid atomizer compared with a conventional gas atomizer. Results of model experiments as well as of experiments with a viscous mineral melt are discussed.

  3. Atomizer design for viscous-melt atomization

    International Nuclear Information System (INIS)

    The development of a gas atomization unit is introduced, which utilizes characteristic flow effects for efficient fragmentation of viscous liquids and melts. The proposed device combines a classical rotary atomizer with an external mixing gas atomizer. Here, the liquid stream is first transformed into a thin liquid sheet before disintegration. Thereby the specific surface energy is increased without breakup. The movement of the free flowing liquid film is controlled by the local gas flow field in order to transport the film into the most effective atomization region. The fragmentation process itself is caused by a perpendicular impinging gas stream. Numerical flow simulations are used for the development of the hybrid atomizer construction. Experiments using viscous model liquids show that for constant air-to-liquid mass-flow ratio the particle size is reduced using the hybrid atomizer compared with a conventional gas atomizer. Results of model experiments as well as of experiments with a viscous mineral melt are discussed

  4. Cold Matter Assembled Atom-by-Atom

    CERN Document Server

    Endres, Manuel; Keesling, Alexander; Levine, Harry; Anschuetz, Eric R; Krajenbrink, Alexandre; Senko, Crystal; Vuletic, Vladan; Greiner, Markus; Lukin, Mikhail D

    2016-01-01

    The realization of large-scale fully controllable quantum systems is an exciting frontier in modern physical science. We use atom-by-atom assembly to implement a novel platform for the deterministic preparation of regular arrays of individually controlled cold atoms. In our approach, a measurement and feedback procedure eliminates the entropy associated with probabilistic trap occupation and results in defect-free arrays of over 50 atoms in less than 400 ms. The technique is based on fast, real-time control of 100 optical tweezers, which we use to arrange atoms in desired geometric patterns and to maintain these configurations by replacing lost atoms with surplus atoms from a reservoir. This bottom-up approach enables controlled engineering of scalable many-body systems for quantum information processing, quantum simulations, and precision measurements.

  5. SPSM and its application in cylindrical shells

    Science.gov (United States)

    Nie, Wu; Zhou, Su-Lian; Peng, Hui

    2008-03-01

    In naval architectures, the structure of prismatic shell is used widely. But there is no suitable method to analyze this kind of structure. Stiffened prismatic shell method (SPSM) presented in this paper, is one of the harmonic semi-analytic methods. Theoretically, strong stiffened structure can be analyzed economically and accurately. SPSM is based on the analytical solution of the governing differential equations for orthotropic cylindrical shells. In these differential equations, the torsional stiffness, bending stiffness and the exact position of each stiffener are taken into account with the Heaviside singular function. An algorithm is introduced, in which the actions of stiffeners on shells are replaced by external loads at each stiffener position. Stiffened shells can be computed as non-stiffened shells. Eventually, the displacement solution of the equations is acquired by the introduction of Green function. The stresses in a corrugated transverse bulkhead without pier base of an oil tanker are computed by using SPSM.

  6. Tube-in-shell heat exchangers

    International Nuclear Information System (INIS)

    A tube-in-shell heat exchanger is described for use in liquid metal cooled fast breeder reactor constructions. The system consists of a bundle of heat exchange tubes with a central spine extending longitudinally through the shell and a series of longitudinally spaced transverse grids resiliently mounted on the central spine within the shell to provide transverse support for bracing the tubes apart. (U.K.)

  7. Adaptive finite element strategies for shell structures

    Science.gov (United States)

    Stanley, G.; Levit, I.; Stehlin, B.; Hurlbut, B.

    1992-01-01

    The present paper extends existing finite element adaptive refinement (AR) techniques to shell structures, which have heretofore been neglected in the AR literature. Specific challenges in applying AR to shell structures include: (1) physical discontinuities (e.g., stiffener intersections); (2) boundary layers; (3) sensitivity to geometric imperfections; (4) the sensitivity of most shell elements to mesh distortion, constraint definition and/or thinness; and (5) intrinsic geometric nonlinearity. All of these challenges but (5) are addressed here.

  8. Simple ablative implosion model: shell dynamics

    International Nuclear Information System (INIS)

    A simple model, derived from Newton's Second Law, for the ablative implosion of a thin spherical shell is presented. The scaling dependence of the implosion time, shell velocity, and mass loss on shell dimensions and the critical physical parameter, the ablation pressure, is derived. Finally, the model is used to examine implosion energy efficiency and to describe an interesting application, wall-recoil heating of a contained fuel gas

  9. Inner-shell ionization and stopping power

    International Nuclear Information System (INIS)

    For better understanding of various aspects in stopping phenomena such as Z13-dependence, shell correction, geometrical effect, direction dependence etc., it seems to be helpful to examine theoretically and experimentally the elementary processes which include plasmon excitation, single electron excitation and inner-shell excitation/ionization. In the present, impact-parameter dependent stopping power is discussed in connection with inner-shell ionization

  10. A model for planktic foraminiferal shell growth

    OpenAIRE

    Signes, M.; Bijma, Jelle; Hemleben, C.; Ott, R.

    1993-01-01

    In this paper we analyze the laws of growth that control planktic foraminiferal shell morpholoy. We assume that isometry is the key towards the understanding of their ontogeny. Hence, our "null hypothesis" is that these organisms construct isometric shells. To test this hypothesis, geometric models of their shells have been generated with a personal computer. It is demonstrated that early chambers in log-spirally coiled structures can not follow a strict isometric arrangement. In the real wor...

  11. Instabilities and shape analyses of elastic shells

    OpenAIRE

    Knoche, Sebastian

    2014-01-01

    This thesis presents research results on the deformation of elastic shells, especially concerning buckling and wrinkling instabilities. The theoretical description of such deformations is used to develop methods of shape analysis, which serve to infer material properties from simple experimental observations of deformed shells. When an initially spherical shell is deflated, two successive instabilities can typically be observed. In a first buckling transition, an axisymmetric dimple appears....

  12. Clustering aspects and the shell model

    CERN Document Server

    Arima, A

    2004-01-01

    In this talk I shall discuss the clustering aspect and the shell model. I shall first discuss the $\\alpha$-cluster aspects based on the shell model calculations. Then I shall discuss the spin zero ground state dominance in the presence of random interactions and a new type of cluster structure for fermions in a single-$j$ shell in the presence of only pairing interaction with the largest multiplicity.

  13. Shell theorem for spontaneous emission

    DEFF Research Database (Denmark)

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

    2013-01-01

    We investigate spontaneous emission from excitons beyond the point source dipole approximation and show how the symmetry of the exciton wave function plays a crucial role. We find that for spherically symmetric wave functions, the Purcell effect is independent of the wave function size 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....

  14. Celestial mechanics of planet shells

    Science.gov (United States)

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

    2004-06-01

    The motion of a planet consisting of an external shell (mantle) and a core (rigid body), which are connected by a visco-elastic layer and mutually gravitationally interact with each other and with an external celestial body (considered as a material point), is studied (Barkin, 1999, 2002a,b; Vilke, 2004). Relative motions of the core and mantle are studied on the assumption that the centres of mass of the planet and external body move on unperturbed Keplerian orbits around the general centre of mass of the system. The core and mantle of the planet have axial symmetry and have different principal moments of inertia. The differential action of the external body on the core and mantle cause the periodic relative displacements of their centres of mass and their relative turns. An approximate solution of the problem was obtained on the basis of the linearization, averaging and small-parameter methods. The obtained analytical results are applied to the study of the possible relative displacements of the core and mantle of the Earth under the gravitational action of the Moon. For the suggested two-body Earth model and in the simple case of a circular (model) lunar orbit the new phenomenon of periodic translatory-rotary oscillations of the core with a fortnightly period the mantle was observed. The more remarkable phenomenon is the cyclic rotation with the same period (13.7 days) of the core relative to the mantle with a ‘large’ amplitude of 152 m (at the core surface).The results obtained confirm the general concept described by Barkin (1999, 2002a,b) that induced relative shell oscillations can control and dictate the cyclic and secular processes of energization of the planets and satellites in definite rhythms and on different time scales.The results obtained mean that giant moments and forces produce energy which causes in particular deformations of the viscoelastic layer between planet shells. This process is realized with different intensities on different time

  15. Electron Shell as a Resonator

    International Nuclear Information System (INIS)

    Main principles of the resonance effect arising in the electron shells in interaction of the nuclei with electromagnetic radiation are analyzed and presented in the historical aspect. Principles of NEET are considered from a more general position, as compared to how this is usually presented. Characteristic features of NEET and its reverse, TEEN, as internal conversion processes are analyzed, and ways are offered of inducing them by laser radiation. The ambivalent role of the Pauli exclusion principles in NEET and TEEN processes is investigated.

  16. OPTIMAL THICKNESS OF A CYLINDRICAL SHELL

    Directory of Open Access Journals (Sweden)

    Paul Ziemann

    2015-01-01

    Full Text Available In this paper an optimization problem for a cylindrical shell is discussed. The aim is to look for an optimal thickness of a shell to minimize the deformation under an applied external force. As a side condition, the volume of the shell has to stay constant during the optimization process. The deflection is calculated using an approach from shell theory. The resulting control-to-state operator is investigated analytically and a corresponding optimal control problem is formulated. Moreover, necessary conditions for an optimal solution are stated and numerical solutions are presented for different examples.

  17. Carbon isotopes in mollusk shell carbonates

    Science.gov (United States)

    McConnaughey, Ted A.; Gillikin, David Paul

    2008-10-01

    Mollusk shells contain many isotopic clues about calcification physiology and environmental conditions at the time of shell formation. In this review, we use both published and unpublished data to discuss carbon isotopes in both bivalve and gastropod shell carbonates. Land snails construct their shells mainly from respired CO2, and shell δ13C reflects the local mix of C3 and C4 plants consumed. Shell δ13C is typically >10‰ heavier than diet, probably because respiratory gas exchange discards CO2, and retains the isotopically heavier HCO3 -. Respired CO2 contributes less to the shells of aquatic mollusks, because CO2/O2 ratios are usually higher in water than in air, leading to more replacement of respired CO2 by environmental CO2. Fluid exchange with the environment also brings additional dissolved inorganic carbon (DIC) into the calcification site. Shell δ13C is typically a few ‰ lower than ambient DIC, and often decreases with age. Shell δ13C retains clues about processes such as ecosystem metabolism and estuarine mixing. Ca2+ ATPase-based models of calcification physiology developed for corals and algae likely apply to mollusks, too, but lower pH and carbonic anhydrase at the calcification site probably suppress kinetic isotope effects. Carbon isotopes in biogenic carbonates are clearly complex, but cautious interpretation can provide a wealth of information, especially after vital effects are better understood.

  18. Fracture Mitigation Strategies in Gastropod Shells

    Science.gov (United States)

    Salinas, Christopher; Kisailus, David

    2013-04-01

    For hundreds of millions of years, gastropods have been evolving, modifying their external calcified shells for defense against shell-breaking and drilling predators. They have evolved primarily to use two different aragonitic microstructures: the evolutionary older Nacre (mother of pearl) structure and the more recently developed crossed-lamellar structure. By using both of these structures, gastropods are able to produce shells that are significantly tougher then geologic aragonite. However, the crossed-lamellar structure allows for a wider variety of shell morphologies, ensuring its increasing presence since the Mesozoic Marine Revolution more than 200 million years ago.

  19. Design optimization of a torpedo shell structure

    Institute of Scientific and Technical Information of China (English)

    YU De-hai; SONG Bao-wei; LI Jia-wang; YANG Shi-xing

    2008-01-01

    An optimized methodology to design a more robust torpedo shell is proposed. The method has taken into account reliability requirements and controllable and uncontrollable factors such as geometry, load, material properties, manufacturing processes, installation, etc. as well as human and environmental factors. The result is a more realistic shell design. Our reliability optimization design model was developed based on sensitivity analysis. Details of the design model are given in this paper. An example of a torpedo shell design based on this model is given and demonstrates that the method produces designs that are more effective and reliable than traditional torpedo shell designs. This method can be used for other torpedo system designs.

  20. RESONANCE RADIATION OF SUBMERGED INFINITE CYLINDRICAL SHELL

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The resonance sound radiation from submerged infinite elastic cylindrical shell, excited by internal harmonic line force, is investigated. The shell radiation power is presented in terms of resonant modal radiation derived from resonance radiation theory (RRT). The resonance radiation formulae are derived from classical Rayleigh normal mode solution, which are useful for understanding the mechanism of sound radiation from submerged shells. As an example, numerical calculation of a thin steel cylindrical shell is done by using these two methods. It seems that the results of RRT solutions are in good agreement with that of Rayleigh normal mode solutions.

  1. Cascade of negative muons in atoms

    International Nuclear Information System (INIS)

    A study is made of the evolution of a negative muon captured in an atom and the formalism of energy loss associated with the muonic atom. The principal goals are to calculate reliability the muon x-ray intensities, given the initial population of the muonic orbits, to invert the problem and deduce the initial distribution from the x-ray intensities, to provide a reasonably simple and convenient tool to correlate observations, and finally, to systematize some questions of theoretical interest. The early part of the history of the muon in matter, including the atomic capture and classical phase of the atomic cascade are reviewed. In the quantal treatment of the transition rates, both radiative and electron Auger transitions are considered. In general, multipolarities up to E3 and K, L, and M electronic shells are fully investigated. Multipole radiation is treated in the conventinal way and pesents no special problems. Magnetic type transitions between states with different principal quantum numbers are shown to be small. Auger electron ejection rates are more complicated and several approximations have been adopted. The basic results have been computed in terms of elemetary functions. In the Auger transitions we have shown that magnetic multipoles can be safety neglected. The relative sizes of the rates corresponding to different multipoles are systematically studied. A comparison of results is made with atomic photoelectric effect data and with the nuclear internal conversion coefficients. A general agreement is found, except around shell thresholds. The existing data of muonic x-ray intensities in iron and thallium are analyzed in a systematic way. It is found that for Fe the initial l-distribution is almost flat, whereas that for T1 is weighted towards the high l values, sharper than statistical. As a result of the investigations and in order to make our findings usable, a computer program has been developed. 36 references

  2. On Prediction of 3d Stress State in Elastic Shell by Higher-order Shell Formulations

    OpenAIRE

    Brank, Boštjan; Ibrahimbegović, Adnan; Bohinc, Uroš

    2008-01-01

    In this work we study the accuracy of modem higher-order shell finite element formulations in computation of 3d stress state in elastic shells. In that sense we compare three higher-order shell models: (i) with seven dislacement-like kinematic parameters, and (ii, iii) with six displacement-like kinematic parameters plus one strain-like kinematic parameter introduced by two different versions of enhanced assumed strain (EAS) concept. The finite element approximations of all shell models are b...

  3. Atomic Structure of Au−Pd Bimetallic Alloyed Nanoparticles

    KAUST Repository

    Ding, Yong

    2010-09-08

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

  4. Copper fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser-solid experiments

    International Nuclear Information System (INIS)

    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, copper is a material that has been often used in those experiments because it has a maximum total K-shell emission yield. Furthermore, 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 copper isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent copper 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 10 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic form proposed by Davies et al. (2013)

  5. The Shell coal gasification process

    International Nuclear Information System (INIS)

    This paper reports that Future Integrated Gasification Combined Cycle (IGCC) power plants will have superior environmental performance and unmatched efficiency. Efficiency depends on many factors including the type of coal, the gasification process, the gas turbine, the steam cycle. NOx reduction measures and the degree and manner of integration. 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 IGCC plant. SCGP flexibility has been demonstrated for feeds ranging from bituminous coals to lignites and petroleum coke, and the process is ideally suited for combined cycle power generation, resulting in efficiencies of 42 to 46% (LHV). The excellent environmental capabilities of IGCC systems are based on well established treating processes for removing sulphur and nitrogen species form the syngas. IGCC processes produce modest volumes of environmentally acceptable effluents. Gas turbine burner developments imply lower NOx emissions. In the Netherlands, a 250 MWe coal gasification combined cycle plant based on Shell technology is being built by Demkolec, a development partnership of the Dutch Electricity Generating Board (N.V. Sep). The plant is scheduled to start up in 1993

  6. Stability of the heaviest atomic nuclei

    International Nuclear Information System (INIS)

    Calculations of the alpha-decay and the spontaneous-fission of the heaviest nuclei are described. Main attention is given to the presentation of the results of the author, obtained in recent few years. One of the important modification, with respect to earlier studies, is the use of a multidimensional deformation space, which is especially important for the calculation of the fission barrier. Even-even nuclei with atomic number Z=92-110 are considered. Much attention is paid to the description of shell effects in the half-lives. These effects are especially important for the heaviest nuclei as they decide the question of their existence. (author)

  7. Method of determining radioactive atom valence

    International Nuclear Information System (INIS)

    The valency state of radionuclides emitting low-energy conversion electrons is determined from the measured change in kinetic energies of conversion electrons which is determined by electron spectroscopy. The determined changes in kinetic energies correspond to changes in binding energies of electrons in the atomic shell which are related to the valency state of the radionuclides. The advantage of the method is the possibility of determining valency states in trace amounts of radioactive substances, its nondestructive character and high sensitivity (10-11g). (E.S.)

  8. A model of Kirkendall hollowing of core–shell nanowires and nanoparticles controlled by short-circuit diffusion

    International Nuclear Information System (INIS)

    We propose a model for the hollowing of the core–shell nanowires caused by the Kirkendall effect during chemical reaction (oxidation) on the nanowire surface. We consider the self-diffusion of the atoms of the core along the grain boundaries in the shell, on the exposed surface of the core, and along the core–shell interface as the main factors controlling the hollowing kinetics. The model relies on the variational method of calculating the chemical potential of the metal atoms diffusing along the core–shell interphase boundary. A comparison of model predictions with the results of hollowing studies of Ni–NiO core–shell nanoparticles [J.G. Railsback et al., ACS Nano 4 (2010) 1913–1920] gave a value for the self-diffusion coefficient of Ni along the grain boundaries in NiO at 573 K of 3 × 10−20 m2 s−1, in good agreement with the literature data. We demonstrate that high values of the contact angle of the core on the shell promote pore instability and formation of secondary side pores (pores multiplication)

  9. Relativistic heavy-atom effects on heavy-atom nuclear shieldings

    Science.gov (United States)

    Lantto, Perttu; Romero, Rodolfo H.; Gómez, Sergio S.; Aucar, Gustavo A.; Vaara, Juha

    2006-11-01

    The principal relativistic heavy-atom effects on the nuclear magnetic resonance (NMR) shielding tensor of the heavy atom itself (HAHA effects) are calculated using ab initio methods at the level of the Breit-Pauli Hamiltonian. This is the first systematic study of the main HAHA effects on nuclear shielding and chemical shift by perturbational relativistic approach. The dependence of the HAHA effects on the chemical environment of the heavy atom is investigated for the closed-shell X2+, X4+, XH2, and XH3- (X =Si-Pb) as well as X3+, XH3, and XF3 (X =P-Bi) systems. Fully relativistic Dirac-Hartree-Fock calculations are carried out for comparison. It is necessary in the Breit-Pauli approach to include the second-order magnetic-field-dependent spin-orbit (SO) shielding contribution as it is the larger SO term in XH3-, XH3, and XF3, and is equally large in XH2 as the conventional, third-order field-independent spin-orbit contribution. Considering the chemical shift, the third-order SO mechanism contributes two-thirds of the difference of ˜1500ppm between BiH3 and BiF3. The second-order SO mechanism and the numerically largest relativistic effect, which arises from the cross-term contribution of the Fermi contact hyperfine interaction and the relativistically modified spin-Zeeman interaction (FC/SZ-KE), are isotropic and practically independent of electron correlation effects as well as the chemical environment of the heavy atom. The third-order SO terms depend on these factors and contribute both to heavy-atom shielding anisotropy and NMR chemical shifts. While a qualitative picture of heavy-atom chemical shifts is already obtained at the nonrelativistic level of theory, reliable shifts may be expected after including the third-order SO contributions only, especially when calculations are carried out at correlated level. The FC/SZ-KE contribution to shielding is almost completely produced in the s orbitals of the heavy atom, with values diminishing with the principal

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

    International Nuclear Information System (INIS)

    The theoretical, experimental and analytical methods for the calculation of average M-shell fluorescence yield (ω¯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

  11. Lithography-Free Fabrication of Core-Shell GaAs Nanowire Tunnel Diodes.

    Science.gov (United States)

    Darbandi, A; Kavanagh, K L; Watkins, S P

    2015-08-12

    GaAs core-shell p-n junction tunnel diodes were demonstrated by combining vapor-liquid-solid growth with gallium oxide deposition by atomic layer deposition for electrical isolation. The characterization of an ensemble of core-shell structures was enabled by the use of a tungsten probe in a scanning electron microscope without the need for lithographic processing. Radial tunneling transport was observed, exhibiting negative differential resistance behavior with peak-to-valley current ratios of up to 3.1. Peak current densities of up to 2.1 kA/cm(2) point the way to applications in core-shell photovoltaics and tunnel field effect transistors. PMID:26189994

  12. The {\\it ab initio} calculation of spectra of open shell diatomic molecules

    CERN Document Server

    Tennyson, Jonathan; McKemmish, Laura K; Yurchenko, Sergei N

    2016-01-01

    The spectra (rotational, rotation-vibrational or electronic) of diatomic molecules due to transitions involving only closed-shell ($^1\\Sigma$) electronic states follow very regular, simple patterns and their theoretical analysis is usually straightforward. On the other hand, open-shell electronic states lead to more complicated spectral patterns and, moreover, often appear as a manifold of closely lying electronic states, leading to perturbations with even larger complexity. This is especially true when at least one of the atoms is a transition metal. Traditionally these complex cases have been analysed using approaches based on perturbation theory, with semi-empirical parameters determined by fitting to spectral data. Recently the needs of two rather diverse scientific areas have driven the demand for improved theoretical models of open-shell diatomic systems based on an \\emph{ab initio} approach, these areas are ultracold chemistry and the astrophysics of "cool" stars, brown dwarfs and most recently extraso...

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

    Energy Technology Data Exchange (ETDEWEB)

    Kahoul, A., E-mail: ka-abdelhalim@yahoo.fr [Department of Materials Science, Faculty of Sciences and Technology, Mohamed El Bachir El Ibrahimi University, Bordj-Bou-Arreridj 34030 (Algeria); LPMRN laboratory, Department of Materials Science, Faculty of Sciences and Technology, Mohamed El Bachir El Ibrahimi University, Bordj-Bou-Arreridj 34030 (Algeria); Deghfel, B. [Physics Department, Faculty of Sciences, M’Sila University, 28000 M’Sila (Algeria); Laboratory of materials physics and their applications, Physics Department, Faculty of Sciences, University of Mohamed Boudiaf, 28000 M’sila (Algeria); Aylikci, V. [Department of Metallurgical and Materials Engineering, Faculty of Technology, Mustafa Kemal University, Hatay 31040 (Turkey); Aylikci, N. K. [Department of Physics, Faculty of Sciences, Karadeniz Technical University, Trabzon 61080,Turkey (Turkey); Nekkab, M. [Physics Department, Faculty of Sciences, M’Sila University, 28000 M’Sila (Algeria); LESIMS laboratory, Faculty of Sciences, Ferhat Abbas University, Setif,19000 (Algeria)

    2015-03-30

    The theoretical, experimental and analytical methods for the calculation of average M-shell fluorescence yield (ω{sup ¯}{sub M}) of different elements are very important because of the large number of their applications in various areas of physical chemistry and medical research. In this paper, the bulk of the average M-shell fluorescence yield measurements reported in the literature, covering the period 1955 to 2005 are interpolated by using an analytical function to deduce the empirical average M-shell fluorescence yield in the atomic range of 70≤Z≤92. The results were compared with the theoretical and fitted values reported by other authors. Reasonable agreement was typically obtained between our result and other works.

  14. Stable atomic hydrogen: Polarized atomic beam source

    International Nuclear Information System (INIS)

    We have carried out experiments with stable atomic hydrogen with a view to possible applications in polarized targets or polarized atomic beam sources. Recent results from the stabilization apparatus are described. The first stable atomic hydrogen beam source based on the microwave extraction method (which is being tested ) is presented. The effect of the stabilized hydrogen gas density on the properties of the source is discussed. (orig.)

  15. Neutral atom traps.

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Michael Vern

    2008-12-01

    This report describes progress in designing a neutral atom trap capable of trapping sub millikelvin atom in a magnetic trap and shuttling the atoms across the atom chip from a collection area to an optical cavity. The numerical simulation and atom chip design are discussed. Also, discussed are preliminary calculations of quantum noise sources in Kerr nonlinear optics measurements based on electromagnetically induced transparency. These types of measurements may be important for quantum nondemolition measurements at the few photon limit.

  16. MULTIPHOTON IONIZATION OF ATOMS

    OpenAIRE

    Mainfray, G.

    1985-01-01

    Multiphoton ionization of one-electron atoms, such as atomic hydrogen and alkaline atoms, is well understood and correctly described by rigorous theoretical models. The present paper will be devoted to collisionless multiphoton ionization of many-electron atoms as rare gases. It induces removal of several electrons and the production of multiply charged ions. Up to Xe5+ ions are produced in Xe atoms. Doubly charged ions can be produced, either by simultaneous excitation of two electrons, or b...

  17. Experimental study of thermohydraulic processes and gas distribution in a model of the containment shell of the AST-500 reactor

    International Nuclear Information System (INIS)

    Experiments were made on a setup consisting of a large-scale twin-assembly model of the primary circuit of an integral reactor and of a model of a containment shell which is a means for confining the outflow of coolant from the reactor. The large-scale model of an AST-500 reactor has vertical dimensions close to the actual dimensions and similar coefficients of hydraulic resistance and volume ratios of the principal elements the circuit with natural circulation. The model of the containment shell is a vertical cylindrical vessel with a size of 426 x 12 mm, a height of 9.78 m, and a volume of 1.24 m3. The volume scale of the reactor model and of the model of the containment shell is 1:170. The elements of the latter model are made from steel 20. The models of the reactor and of the containment shell are joined through two pipelines with a size of 57 x 3.5 mm and shut-off valves with a diameter of 50 mm mounted thereon. A total of 70 experiments were made to simulate leakage of the primary circuit of the integrated reactor and the outflow of coolant into the containment shell. The authors have provided detailed information on the large-scale model, have described the experimental conditions, and have reported on the main results of their study of the development of an accident involving the loss of coolant in the reactor-containment shell system. The present article reports on a study of the thermohydraulic processes and the gas distribution in the containment shell. Since the designs of the model and of the actual containment shell of the AST-500 reactor are not identical, the authors assume that the results reported can be used in appropriate computer programs describing the processes which occur in containment vessels of atomic power stations (containment shells, protective shells, sealed assemblies)

  18. Dealloying-based facile synthesis and highly catalytic properties of Au core/porous shell nanoparticles

    Science.gov (United States)

    Kim, Minho; Ko, Sung Min; Nam, Jwa-Min

    2016-06-01

    Porous nanostructures exhibit excellent catalytic properties due to high surface-to-volume ratio, good surface reactivity and various structural features, but controlling the distribution, size, shape and density of pores and structural features of these particles is highly challenging. Herein, we report a tunable dealloying-based facile synthetic strategy to form highly porous Au core/porous shell nanoparticles (CPS NPs) in high yield by selectively dissolving Ag atoms from Au/Au-Ag core/alloy shell NPs. The CPS NPs exhibit a very short induction time, high conversion rate constant, low activation energy and high turnover frequency due to their catalytically active porous shells containing networked thin ligaments, surface defects, ultra-high porosity and photothermal properties. The CPS NPs are more catalytic Au NPs than other reported Au nanostructures, and the strategy and results open avenues in porous nanostructures and nanocatalysts.Porous nanostructures exhibit excellent catalytic properties due to high surface-to-volume ratio, good surface reactivity and various structural features, but controlling the distribution, size, shape and density of pores and structural features of these particles is highly challenging. Herein, we report a tunable dealloying-based facile synthetic strategy to form highly porous Au core/porous shell nanoparticles (CPS NPs) in high yield by selectively dissolving Ag atoms from Au/Au-Ag core/alloy shell NPs. The CPS NPs exhibit a very short induction time, high conversion rate constant, low activation energy and high turnover frequency due to their catalytically active porous shells containing networked thin ligaments, surface defects, ultra-high porosity and photothermal properties. The CPS NPs are more catalytic Au NPs than other reported Au nanostructures, and the strategy and results open avenues in porous nanostructures and nanocatalysts. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01321j

  19. The influence of structural characteristics on the electronic and thermal properties of GaN/AlN core/shell nanowires

    Science.gov (United States)

    Pavloudis, Th.; Termentzidis, K.; Komninou, Ph.; Latham, C. D.; Briddon, P. R.; Kioseoglou, J.

    2016-02-01

    Interatomic potential based molecular dynamics and ab initio calculations are employed to investigate the structural, thermal, and electronic properties of polar GaN/AlN core/shell nanowires. Nanowire models for the molecular dynamics simulations contain hundreds of thousands of atoms with different shell-to-nanowire ratios. The energetic and structural properties are evaluated through a detailed examination of the strain, the stress, and the displacement fields. It is found that the relaxation of the AlN shell is initiated at the edges, with the shell becoming increasingly stress free when the shell-to-nanowire ratio is increased. The basal lattice parameter a of the AlN shell is found to have a smaller value than the value predicted by the elasticity theory. The stresses on the GaN core are strongly influenced by the shell. The core retains the a lattice parameter of bulk GaN only up to a shell-to-nanowire ratio equal to 0.10 and is significantly compressed beyond this point. Concerning the thermal properties, the molecular dynamics simulations conclude that there is a linear relationship between the thermal conductivity and the shell-to-core area ratio of the GaN/AlN core/shell nanowires. The bandgaps of the nanowires are calculated through ab initio calculations of 103 atoms and the influence of the structural characteristics on the electronic properties is investigated. A well-defined relationship that predicts the bandgap of the GaN/AlN nanowires, follows the 2nd order Vegard's law and taking into account the shell-to-nanowire ratio, is established. Finally, the valence band maximum is found to be dominated by the surface N-2p levels, while the conduction band minimum is dominated by the core and interface Ga-3s, and the surface Al-2s levels.

  20. Thin Shell Wormhole in Heterotic String Theory

    OpenAIRE

    Rahaman, F.; Kalam, M.; S. Chakraborti

    2006-01-01

    Using 'Cut and Paste' technique, we develop a thin shell wormhole in heterotic string theory. We determine the surface stresses, which are localized in the shell, by using Darmois-Israel formalism. The linearized stability of this thin wormhole is also analyzed.

  1. Thick-shell nanocrystal quantum dots

    Science.gov (United States)

    Hollingsworth, Jennifer A.; Chen, Yongfen; Klimov, Victor I.; Htoon, Han; Vela, Javier

    2011-05-03

    Colloidal nanocrystal quantum dots comprising an inner core having an average diameter of at least 1.5 nm and an outer shell, where said outer shell comprises multiple monolayers, wherein at least 30% of the quantum dots have an on-time fraction of 0.80 or greater under continuous excitation conditions for a period of time of at least 10 minutes.

  2. Microsoft Exchange Server PowerShell cookbook

    CERN Document Server

    Andersson, Jonas

    2015-01-01

    This book is for messaging professionals who want to build real-world scripts with Windows PowerShell 5 and the Exchange Management Shell. If you are a network or systems administrator responsible for managing and maintaining Exchange Server 2013, you will find this highly useful.

  3. The structural acoustic properties of stiffened shells

    DEFF Research Database (Denmark)

    Luan, Yu

    2008-01-01

    important when a number of stiffened plates are combined in a complicated structure composed of many plates. However, whereas the equivalent plate theory is well established there is no similar established theory for stiffened shells. This paper investigates the mechanical and structural acoustic properties...... of curved shells with stiffening ribs. Finite element simulations and experimental data will be compared and discussed....

  4. Closed shells at drip-line nuclei

    OpenAIRE

    Dobaczewski, J.; Nazarewicz, W.; Werner, T. R.

    1994-01-01

    The shell structure of magic nuclei far from stability is discussed in terms of the self-consistent spherical Hartree-Fock-Bogoliubov theory. In particular, the sensitivity of the shell-gap sizes and the two-neutron separation energies to the choice of particle-hole and particle-particle components of the effective interaction is investigated.

  5. Torsion and transverse sensing of conical shells

    Science.gov (United States)

    Li, H.; Chen, Z. B.; Tzou, H. S.

    2010-10-01

    Conical shells are widely used as payload/rocket adapters in rocket fairing systems. Generally, the conical shells are clamped at the major end and free at the minor end, where the payload is mounted. This study focuses on the dynamic sensing of conical shells with fix-free boundary conditions (BCs) by using distributed piezoelectric helical sensors. Two types of motion are studied, i.e., the transverse modes and the torsion modes. The shear-type sensors for shells sensing are presented first. Formulations of sensing signals of a general shell of revolution are presented, and then simplified to conical shells. For sensing of transverse vibrations, thin piezoelectric sensors are laminated on the top surface. Two types of sensor distribution are considered: a fully distributed and a helical or diagonal laminated. The total signal consists of four components resulting from the four strain components, and each of them is evaluated in detail. For sensing of torsion vibrations, a meridional polarized shear-type sensor with side electrodes is layered on the top surface of the shell structure. Sensing signals of natural shell modes are also evaluated. Analyses show that, in low order modes, the sensing signals induced by the circumferential membrane strains are the primary components of the total signal generations. The numerical results indicate the optimal location of the sensors. The proposed method is capable of determining the modal participation factors, while the testing signal is available; it is also capable of determining the mode shapes by using several distributed sensor segments.

  6. A Geometric Theory of Nonlinear Morphoelastic Shells

    Science.gov (United States)

    Sadik, Souhayl; Angoshtari, Arzhang; Goriely, Alain; Yavari, Arash

    2016-08-01

    Many thin three-dimensional elastic bodies can be reduced to elastic shells: two-dimensional elastic bodies whose reference shape is not necessarily flat. More generally, morphoelastic shells are elastic shells that can remodel and grow in time. These idealized objects are suitable models for many physical, engineering, and biological systems. Here, we formulate a general geometric theory of nonlinear morphoelastic shells that describes both the evolution of the body shape, viewed as an orientable surface, as well as its intrinsic material properties such as its reference curvatures. In this geometric theory, bulk growth is modeled using an evolving referential configuration for the shell, the so-called material manifold. Geometric quantities attached to the surface, such as the first and second fundamental forms, are obtained from the metric of the three-dimensional body and its evolution. The governing dynamical equations for the body are obtained from variational consideration by assuming that both fundamental forms on the material manifold are dynamical variables in a Lagrangian field theory. In the case where growth can be modeled by a Rayleigh potential, we also obtain the governing equations for growth in the form of kinetic equations coupling the evolution of the first and the second fundamental forms with the state of stress of the shell. We apply these ideas to obtain stress-free growth fields of a planar sheet, the time evolution of a morphoelastic circular cylindrical shell subject to time-dependent internal pressure, and the residual stress of a morphoelastic planar circular shell.

  7. Ionization of highly charged relativistic ions by neutral atoms and ions

    OpenAIRE

    Baur, G.; Beigman, I. L.; Shevelko, V. P; Tolstikhina, I. Yu.; Stoehlker, Th.

    2008-01-01

    Ionization of highly charged relativistic ions by neutral atoms and ions is considered. Numerical results of recently developed computer codes based on the relativistic Born and the equivalent-photon approximations are presented. The ionization of the outer shells dominate. For the outer projectile electron shells, which give the main contribution to the process, the non-relativistic Schr\\"odinger wave functions can be used. The formulae for the non-relativistic reduction of the Dirac matrix-...

  8. Inner shell energies: experimental problems

    International Nuclear Information System (INIS)

    Progress in theoretical estimates of single vacancy atomic term values has challenged available experimental data. This brief survey of the experimental situation indicates both conceptual and technical problems which are currently faced. Although these interpretational difficulties are formidable, the emergence of systematic trends in the comparison of theory and experiment appears to invite a simple explication

  9. Wide-range shell correction to the Thomas--Fermi theory and equation of state for electrons

    CERN Document Server

    Dyachkov, Sergey

    2016-01-01

    Shell effects reflects irregularities of physical quantities caused by a discrete energy spectrum. The theory of the shell effects by Kirzhnits and Shpatakovskaya is valid only at relatively low densities providing for oscillations of thermodynamic functions. Similar effects for the electronic binding energy of a neutral atom were considered by Englert and Schwinger. In this work we propose a method of calculation of shell effects applicable in a wide range of density and temperature. The model is based on the finite-temperature Thomas-Fermi theory. Shell corrections to thermodynamic functions are obtained by special accounting of semiclassical states of bound electrons in the Thomas-Fermi potential. The results are in good correspondence with the precise Saha approach for the low density plasma and density functional theory simulation at high density.

  10. Symmetry-guided large-scale shell-model theory

    Science.gov (United States)

    Launey, Kristina D.; Dytrych, Tomas; Draayer, Jerry P.

    2016-07-01

    In this review, we present a symmetry-guided strategy that utilizes exact as well as partial symmetries for enabling a deeper understanding of and advancing ab initio studies for determining the microscopic structure of atomic nuclei. These symmetries expose physically relevant degrees of freedom that, for large-scale calculations with QCD-inspired interactions, allow the model space size to be reduced through a very structured selection of the basis states to physically relevant subspaces. This can guide explorations of simple patterns in nuclei and how they emerge from first principles, as well as extensions of the theory beyond current limitations toward heavier nuclei and larger model spaces. This is illustrated for the ab initio symmetry-adapted no-core shell model (SA-NCSM) and two significant underlying symmetries, the symplectic Sp(3 , R) group and its deformation-related SU(3) subgroup. We review the broad scope of nuclei, where these symmetries have been found to play a key role-from the light p-shell systems, such as 6Li, 8B, 8Be, 12C, and 16O, and sd-shell nuclei exemplified by 20Ne, based on first-principle explorations; through the Hoyle state in 12C and enhanced collectivity in intermediate-mass nuclei, within a no-core shell-model perspective; up to strongly deformed species of the rare-earth and actinide regions, as investigated in earlier studies. A complementary picture, driven by symmetries dual to Sp(3 , R) , is also discussed. We briefly review symmetry-guided techniques that prove useful in various nuclear-theory models, such as Elliott model, ab initio SA-NCSM, symplectic model, pseudo- SU(3) and pseudo-symplectic models, ab initio hyperspherical harmonics method, ab initio lattice effective field theory, exact pairing-plus-shell model approaches, and cluster models, including the resonating-group method. Important implications of these approaches that have deepened our understanding of emergent phenomena in nuclei, such as enhanced

  11. Structural shell analysis understanding and application

    CERN Document Server

    Blaauwendraad, Johan

    2014-01-01

    The mathematical description of the properties of a shell is much more elaborate than those of beam and plate structures. Therefore many engineers and architects are unacquainted with aspects of shell behaviour and design, and are not familiar with sufficiently reliable shell theories for the different shell types as derived in the middle of the 20th century. Rather than contributing to theory development, this university textbook focuses on architectural and civil engineering schools. Of course, practising professionals will profit from it as well. The book deals with thin elastic shells, in particular with cylindrical, conical and spherical types, and with elliptic and hyperbolic paraboloids. The focus is on roofs, chimneys, pressure vessels and storage tanks. Special attention is paid to edge bending disturbance zones, which is indispensable knowledge in FE meshing. A substantial part of the book results from research efforts in the mid 20th century at Delft University of Technology. As such, it is a valua...

  12. Obtainment of calcium carbonate from mussels shell

    International Nuclear Information System (INIS)

    The mussels and oyster shell are discarded at environment, and this accumulation is causing negative consequences to ecosystem. Calcium carbonate is main constituent of the shell chemical composition. Aiming to reduce environmental aggression and generate income to shellfish producer, there was the possibility of using these shells as an alternative to commercial calcium carbonate. For this physics, chemicals and thermal properties were evaluated, using X-ray fluorescence, thermogravimetric analysis, size distribution, abrasiveness and scanning electronic microscopy. The results indicate that mussels shells have an initial degradation temperature higher than commercial calcium carbonate e same lost weight behavior and 95% of shell chemical composition is calcium carbonate. The sample size distribution was influenced by grinding condition and time as well as its abrasiveness. (author)

  13. Deformation of thin shallow nonuniform shells

    International Nuclear Information System (INIS)

    Shallow shells are common structural elements used in various sectors of industry. Problems of the theory of shallow shells have been the subject of numerous investigations, the results of which can be found. For the most part, researchers have focused on one-layer isotropic shells of constant thickness. Here, we examine problems related to the statics of shallow shells that are rectangular in plan and are composed of orthotropic layers of variable thickness. We assume the following in regard to the parameters of the coordinate surface of shells of this class: the internal geometry of the coordinate surface is identical to the geometry in a plane; the principal curvatures k1 and k2 are constant. The coordinates α and β are identical to the cartesian coordinates in a plane

  14. Systematic study of shell gaps in nuclei

    CERN Document Server

    Mo, Qiuhong; Wang, Ning

    2014-01-01

    The nucleon separation energies and shell gaps in nuclei over the whole nuclear chart are systematically studied with eight global nuclear mass models. For unmeasured neutron-rich and super-heavy regions, the uncertainty of the predictions from these different mass models is still large. The latest version (WS4) of the Weizs\\"acker-Skyrme mass formula, in which the isospin dependence of model parameters is introduced into the macroscopic-microscopic approach inspired by the Skyrme energy-density functional, is found to be the most accurate one in the descriptions of nuclear masses, separation energies and shell gaps. Based on the predicted shell gaps in nuclei, the possible magic numbers in super-heavy nuclei region are investigated. In addition to the shell closures at $N=184, Z=114$, the sub-shell closures at around $N=178, Z=120$ could also play a role for the stability of super-heavy nuclei.

  15. Monte Carlo Shell Model Mass Predictions

    International Nuclear Information System (INIS)

    The nuclear mass calculation is discussed in terms of large-scale shell model calculations. First, the development and limitations of the conventional shell model calculations are mentioned. In order to overcome the limitations, the Quantum Monte Carlo Diagonalization (QMCD) method has been proposed. The basic formulation and features of the QMCD method are presented as well as its application to the nuclear shell model, referred to as Monte Carlo Shell Model (MCSM). The MCSM provides us with a breakthrough in shell model calculations: the structure of low-lying states can be studied with realistic interactions for a nearly unlimited variety of nuclei. Thus, the MCSM can contribute significantly to the study of nuclear masses. An application to N∼20 unstable nuclei far from the β-stability line is mentioned

  16. Experimental and theoretical studies of metal vapor atoms

    International Nuclear Information System (INIS)

    Employing electron spectrometry in conjunction with tuneable synchrotron radiation, we will present a detailed examination of the photoionization dynamics of selected metal vapor atoms. In particular, this paper will focus on the relative partial cross sections of the atomic Li K-shell main and satellite (ionization with excitation) photoelectron lines in the region of the strong 1snln'l' autoionizing transitions, the atomic Sc 3d, 4s main and satellite photoelectron lines in the region of the 3p→3d giant resonance, and also the atomic Fe 3d, 4s main and satellite photoelectron lines in the same resonance region. Our experimental data for Sc and Fe will be compared to our state-of-the-art calculations based on the superposition of configuration method developed by Cowan (The Theory of Atomic Structure and Spectra. University of California Berkeley Press, Berkeley and Los Angeles, 1981). Our partial cross section measurements for Li and Sc will be complemented with measurements of the angular distribution parameter, β. In addition, our Li data will also be compared with recent R-matrix calculations (Phys. Rev. 57 (1998) 1045). In the case of Fe, we will also address the term dependent behavior of the partial cross sections on resonance. These results will highlight what can be achieved with today's technology and point the way towards future endeavors in the study of the photoionization dynamics of open-shell metal vapor atoms

  17. A static spherically symmetric thin shell wormhole colliding with a spherical thin shell

    CERN Document Server

    Gao, Sijie

    2015-01-01

    We consider a static spherically symmetric thin shell wormhole collides with another thin shell consisting of ordinary matter. By employing the geometrical constraint, which leads to the conservation of energy and momentum, we show that the state after the collision can be solved from the initial data. In the low speed approximation, the solutions are rather simple. The shell may either bounce back or pass through the wormhole. In either case, the wormhole shrinks right after the collision. In the ``bouncing'' case, a surprising result is that the radial speeds before and after the collision satisfy an addition law, which is independent of the masses of the wormhole and the shell. Once the shell passes through the wormhole, we find that the shell always expands. However, the expansion rate is the same as its collapsing rate right before the collision. Finally, we find out the solution for the shell moving together with the wormhole.

  18. The main factors causing "imperfect shell development" (ISD) in thin-shelled walnut

    Institute of Scientific and Technical Information of China (English)

    Baoguo LI; Suping GUO; Guohui QI

    2009-01-01

    Effects of solar radiation, rainfall and cultivars on "imperfect shell development" (ISD) of the thin-shelled walnut were studied by means of field investigation and weather data comparison. The results showed that cultivars were the main factor causing the ISD of the thin-shelled walnut. Among the cultivars, Shangsong 6 was the most sensitive one, whose percentage of imperfect shell attained 67.3%, followed by Xiangling (52.7%). However, the rate of imperfect shells in Zhonglin 5 was only 20.9%. It was sug-gested that the main environmental factors contributing to the ISD of the thin-shelled walnut were sunlight intensity and rainfall during the shell-hardening stage.

  19. Local shell-to-shell energy transfer via nonlocal interactions in fluid turbulence

    Indian Academy of Sciences (India)

    Mahendra K Verma; Arvind Ayyer; Olivier Debliquy; Shishir Kumar; Amar V Chandra

    2005-08-01

    In this paper we analytically compute the strength of nonlinear interactions 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 rate is found to be local and forward. This result is due to the fact that the nonlocal triads occupy much less Fourier space volume than the local ones. The analytical results on three-dimensional shell-to-shell energy transfer match with their numerical counterparts. In two-dimensional turbulence, the energy transfer rates to the nearby shells are forward, but to the distant shells are backward; the cumulative effect is an inverse cascade of energy.

  20. Auger electron spectroscopy applied to inner shell ionization by fast charged particles

    International Nuclear Information System (INIS)

    Until recently, inner shell ionization by charged particle impact was studied almost exclusively through the use of x-ray spectroscopy. This method is limited in accuracy, however, for ionization of inner shells where the fluorescence yield is small. For K-shell ionization of elements with atomic number less than about ten the fluorescence yield can be considered negligible and Auger electron emission cross section provide direct information regarding the ionization cross section. The ionization cross sections determined in this way are accurate to approximately 20 percent whereas x-ray measurements may be uncertain by a factor of five or more due to uncertainties in fluorescence yields. In addition to ionization cross sections, Auger emission spectra provide information regarding multiple ionization, effects of molecular binding on inner shell ionization and, when coupled with x-ray measurements, provide fluorescence yields as a function of the final state of the target atom. These points will be illustrated for ionization by fast protons along with some results for heavier incident particles

  1. Facile preparation of hybrid core-shell nanorods for photothermal and radiation combined therapy

    Science.gov (United States)

    Deng, Yaoyao; Li, Erdong; Cheng, Xiaju; Zhu, Jing; Lu, Shuanglong; Ge, Cuicui; Gu, Hongwei; Pan, Yue

    2016-02-01

    The hybrid platinum@iron oxide core-shell nanorods with high biocompatibility were synthesized and applied for combined therapy. These hybrid nanorods exhibit a good photothermal effect on cancer cells upon irradiation with a NIR laser. Furthermore, due to the presence of a high atomic number element (platinum core), the hybrid nanorods show a synergistic effect between photothermal and radiation therapy. Therefore, the as-prepared core-shell nanorods could play an important role in facilitating synergistic therapy between photothermal and radiation therapy to achieve better therapeutic efficacy.The hybrid platinum@iron oxide core-shell nanorods with high biocompatibility were synthesized and applied for combined therapy. These hybrid nanorods exhibit a good photothermal effect on cancer cells upon irradiation with a NIR laser. Furthermore, due to the presence of a high atomic number element (platinum core), the hybrid nanorods show a synergistic effect between photothermal and radiation therapy. Therefore, the as-prepared core-shell nanorods could play an important role in facilitating synergistic therapy between photothermal and radiation therapy to achieve better therapeutic efficacy. Electronic supplementary information (ESI) available: Details of general experimental procedures. See DOI: 10.1039/c5nr09102k

  2. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

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

  3. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    2000-01-01

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

  4. Gravity On-shell Diagrams

    CERN Document Server

    Herrmann, Enrico

    2016-01-01

    We study on-shell diagrams for gravity theories with any number of supersymmetries and find a compact Grassmannian formula in terms of edge variables of the graphs. Unlike in gauge theory where the analogous form involves only $\\dlog$-factors, in gravity there is a non-trivial numerator as well as higher degree poles in the edge variables. Based on the structure of the Grassmannian formula for $\\N=8$ supergravity we conjecture that gravity loop amplitudes also possess similar properties. In particular, we find that there are only logarithmic singularities on cuts with finite loop momentum, poles at infinity are present and loop amplitudes show special behavior on certain collinear cuts. We demonstrate on 1-loop and 2-loop examples that the behavior on collinear cuts is a highly non-trivial property which requires cancellations between all terms contributing to the amplitude.

  5. Cargo-shell and cargo-cargo couplings govern the mechanics of artificially loaded virus-derived cages.

    Science.gov (United States)

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

    2016-04-28

    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. PMID:27091107

  6. Polishing behavior of PS/CeO2 hybrid microspheres with controlled shell thickness on silicon dioxide CMP

    International Nuclear Information System (INIS)

    Organic-inorganic composite microspheres with PS as a core and CeO2 nanoparticles as a shell were synthesized by in situ decomposition reaction of Ce(NO3)3 on the surfaces of PS microspheres prepared through soap-free emulsion polymerization. The shell thickness of the composite microspheres could be turned by varying the concentration of Ce(NO3)3 in the reaction solution. The whole process required neither surface treatment for PS microspheres nor additional surfactant or stabilizer. The as-synthesized PS/CeO2 composite microsphere samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). Oxide chemical mechanical polishing (CMP) performance of the PS/CeO2 composite abrasives with different shell thickness was characterized by atomic force microscopy (AFM). The results indicated that the as-prepared core-shell structured composite microspheres (220-260 nm in diameter) possessed thin shell (10-30 nm) composed of CeO2 nanoparticles (particle diameter of 5-10 nm), and the final CeO2 contents of the composite microspheres ranged from 10 to 50 wt%. A possible mechanism for the formation of PS/CeO2 composite microspheres was discussed also. The CMP test results confirmed that the novel core-shell structured composite abrasives are useful to improve oxide CMP performance. In addition, there is an obvious effect of shell thickness of the composite abrasives on oxide CMP performance.

  7. Detection of gas atoms with carbon nanotubes

    Science.gov (United States)

    Arash, B.; Wang, Q.

    2013-05-01

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

  8. Shell Effects in Nuclear Fission

    International Nuclear Information System (INIS)

    The important part played by shell effects in nuclear fission has been reliably established experimentally and forms the basis of the theory of asymmetry of fission and other properties of fission fragments. However, from the theoretical point of view there are certain difficulties in understanding these effects, since at the moment of scission the fragments axe considerably deformed. When the shell effects are calculated in succession, the energy of the fissioning nucleus before scission may be presented in the form of the sum of the energies of the spherical fragments taking shell effects into account, the Coulomb interaction energy of the fragments and their deformation energy. The deformation energy of the fragments should be calculated not using the elasticity values of the fragments according to the drop model, but, for very low deformations, the single particle elasticity values taking into account the magic effects, with a gradual transition to the drop values for deformations at which the levels of neighbouring shells intersect. The single-particle elasticity values can be obtained from the experimental data on the Coulomb excitation of the nuclei. In Vandenbosch's calculations of fragment deformation, the elasticity of the fragments was based on the condition of coincidence between the deformation energy of the fragments and the experimental values for their excitation energy. However, in this case the elasticity was assumed to be constant at all deformations, and for this reason, although the elasticity values found in Vandenbosch do show magic'effects, they differ considerably in magnitude from the experimental elasticity values (see above).. The calculations of Vandenbosch also failed to take into account the magic effects for non-deformed fragments that lead to a reduction in the energy of the magic nucleus. Therefore, according to these calculations fission should be symmetrical, since the elasticity and consequently also the deformation energy (at

  9. Near threshold photodetachment cross section of negative atomic oxygen ions

    Institute of Scientific and Technical Information of China (English)

    Wu Jian-Hua(吴建华); Yuan Jian-Min(袁建民); Vo Ky Lan

    2003-01-01

    A 40-target state close-coupling calculation for the photodetachment cross section of negative atomic oxygen near threshold is carried out with core-valence electron correlation by using the R-matrix method. It was shown that after considering the excitations of two electrons from the 2s shell, the electron affinity of O- (2s22p5 2po) agrees with the experimental result much better than that just considering the excitations of electrons only from the 2p shell as well as only one electron from the 2s shell. Total cross section as well as the main contribution of the ionization channels to the partial cross section are illustrated to show the structure near threshold clearly.

  10. Alternative evaluation of statistical indicators in atoms: The non-relativistic and relativistic cases

    International Nuclear Information System (INIS)

    In this work, the calculation of a statistical measure of complexity and the Fisher-Shannon information is performed for all the atoms in the periodic table. Non-relativistic and relativistic cases are considered. We follow the method suggested in [C.P. Panos, N.S. Nikolaidis, K.Ch. Chatzisavvas, C.C. Tsouros, (arXiv:0812.3963v1)] that uses the fractional occupation probabilities of electrons in atomic orbitals, instead of the continuous electronic wave functions. For the order of shell filling in the relativistic case, we take into account the effect due to electronic spin-orbit interaction. The increasing of both magnitudes, the statistical complexity and the Fisher-Shannon information, with the atomic number Z is observed. The shell structure and the irregular shell filling is well displayed by the Fisher-Shannon information in the relativistic case.

  11. THE ORNL ATOM PROBE

    OpenAIRE

    Miller, M

    1986-01-01

    The ORNL Atom Probe is a microanalytical tool for studies in materials science. The instrument is a combination of a customized version of the vacuum system of the VG FIM-100 atom probe, an ORNL-designed microcomputer-controlled digital timing system, and a double curved CEMA Imaging Atom Probe detector. The atom probe combines four instruments into one - namely a field ion microscope, an energy compensated time-of-flight mass spectrometer, an imaging atom probe, and a pulsed laser atom probe.

  12. Use of the Bethe equation for inner-shell ionization by electron impact

    Science.gov (United States)

    Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

    2016-05-01

    We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L3-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections and available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232-276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.

  13. Nucleon-pair approximation to the nuclear shell model

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Y.M., E-mail: ymzhao@sjtu.edu.cn [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Arima, A. [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Musashi Gakuen, 1-26-1 Toyotamakami Nerima-ku, Tokyo 176-8533 (Japan)

    2014-12-01

    Atomic nuclei are complex systems of nucleons–protons and neutrons. Nucleons interact with each other via an attractive and short-range force. This feature of the interaction leads to a pattern of dominantly monopole and quadrupole correlations between like particles (i.e., proton–proton and neutron–neutron correlations) in low-lying states of atomic nuclei. As a consequence, among dozens or even hundreds of possible types of nucleon pairs, very few nucleon pairs such as proton and neutron pairs with spin zero, two (in some cases spin four), and occasionally isoscalar spin-aligned proton–neutron pairs, play important roles in low-energy nuclear structure. The nucleon-pair approximation therefore provides us with an efficient truncation scheme of the full shell model configurations which are otherwise too large to handle for medium and heavy nuclei in foreseeable future. Furthermore, the nucleon-pair approximation leads to simple pictures in physics, as the dimension of nucleon-pair subspace is always small. The present paper aims at a sound review of its history, formulation, validity, applications, as well as its link to previous approaches, with the focus on the new developments in the last two decades. The applicability of the nucleon-pair approximation and numerical calculations of low-lying states for realistic atomic nuclei are demonstrated with examples. Applications of pair approximations to other problems are also discussed.

  14. On the evaluation of determinantal wave functions in open-shell Hartree-Fock theory

    OpenAIRE

    Guseinov, I. I.; DEMİR, Ramazan

    2001-01-01

    Slater method is modified for the evaluation of determinantal wave functions appearing in open-shell Hartree-Fock (HF) theory [1]. Using modified Slater method we have calculated, as an example, the orbital energies and the wave functions of terms obtained from the electronic configuration of a ground state of an N-atom system in the Hartree-Fock-Roothaan (HFR) approximation. The modified determinantal method introduced in this paper can be of considerable help and importance in the ...

  15. Toxicity of Graphene Shells, Graphene Oxide, and Graphene Oxide Paper Evaluated with Escherichia coli Biotests

    OpenAIRE

    Ludmila V. Efremova; Alexey S. Vasilchenko; Rakov, Eduard G.; Dmitry G. Deryabin

    2015-01-01

    The plate-like graphene shells (GS) produced by an original methane pyrolysis method and their derivatives graphene oxide (GO) and graphene oxide paper (GO-P) were evaluated with luminescent Escherichia coli biotests and additional bacterial-based assays which together revealed the graphene-family nanomaterials’ toxicity and bioactivity mechanisms. Bioluminescence inhibition assay, fluorescent two-component staining to evaluate cell membrane permeability, and atomic force microscopy data show...

  16. Contrasts in the application of distortion in calculations of the K-shell ionization cross section

    International Nuclear Information System (INIS)

    Two models which describe the proton-induced ionization from the K shell of an atom are contrasted in terms of the differing forms of distortion employed. Results of calculations of both total and differential cross section are seen to be surprisingly close despite the large disparity between the models. Some consequences are discussed, particularly with regard to the use of pseudostates to represent continuum states. (orig.)

  17. High-Resolution Spectroscopy of K-shell Praseodymium with a High-Energy Calorimeter

    Energy Technology Data Exchange (ETDEWEB)

    Thorn, D B; Brown, G V; Clementson, J T; Chen, H; Chen, M H; Beiersdorfer, P; Boyce, K R; Kilbourne, C A; Porter, F S; Kelley, R L

    2007-06-05

    We present a measurement of the K-shell spectrum of He-like through Be-like praseodymium ions trapped in the Livermore SuperEBIT electron beam ion trap using a bismuth absorber pixel on the XRS/EBIT microcalorimeter. This measurement is the first of its kind where the n=2 to n=1 transitions of the various charge states are spectroscopically resolved. The measured transition energies are compared with theoretical calculations from several atomic codes.

  18. Shell model estimate of electric dipole moments in medium and heavy nuclei

    Directory of Open Access Journals (Sweden)

    Teruya Eri

    2015-01-01

    Full Text Available Existence of the electric dipole moment (EDM is deeply related with time-reversal invariance. The EDMof a diamagnetic atom is mainly induced by the nuclear Schiff moment. After carrying out the shell model calculations to obtain wavefunctions for Xe isotopes, we evaluate nuclear Schiff moments for Xe isotopes to estimate their atomic EDMs. We estimate the contribution from each single particle orbital for the Schiff moment. It is found that the contribution on the Schiff moment is very different from orbital to orbital.

  19. Structure, energetic and phase transition of multi shell icosahedral bimetallic nanostructures: A molecular dynamics study of Ni{sub m}Pd{sub n} (n + m = 55 and 147)

    Energy Technology Data Exchange (ETDEWEB)

    Hewage, Jinasena W., E-mail: jinasena@chem.ruh.ac.lk

    2015-01-15

    Structure, energetic and thermodynamic properties of multi shell icosahedral bimetallic nickel–palladium nanostructures with the size of 55 and 147 atoms were studied by using the molecular dynamics simulations and the microcanonical ensemble version of multiple histogram method. In 55 atoms icosahedra, two core–shell motifs, Ni{sub 13}Pd{sub 42} and Pd{sub 13}Ni{sub 42} with their isomers Pd{sub 13}(Pd{sub 29}Ni{sub 13}) and Ni{sub 13}(Ni{sub 29}Pd{sub 13}) were considered. Similarly in 147 atoms icosahedra, all mutations corresponding to the occupations of either nickel atoms or palladium atoms in the core, inner shell or outer shell and their isomers generated by interchanging thirteen core atoms with thirteen atoms of the other type in the inner and outer shells were considered. It is found that the nickel-core clusters are more stable than the palladium-core clusters and cohesive energy increases with the nickel composition. Phase transition of each cluster was studied by means of constant volume heat capacity. The trend in variation of melting temperature is opposite to the energy trend and special increase in melting points was observed for nickel-core isomers compared to the palladium-core isomers. Helmholtz free energy change with temperature for shell to core interchange of thirteen atoms revealed the thermodynamic stability of the formation of Ni{sub core}Pd{sub shell} structures and the surface segregation of palladium. - Highlights: • Nanostructures of Ni{sub m}Pd{sub n} clusters for m + n = 55 and 147 have been studied. • Structures favor the formation of nickel-core surrounded by palladium atoms. • In general, it appears the increase of cohesive energy with the nickel composition. • Calculated thermodynamic parameters confirm the energetic results. • Results show also the palladium segregation on the surface.

  20. Dispersion coefficients for the interaction of inert gas atoms with alkali and alkaline earth ions and alkali atoms with their singly ionized ions

    CERN Document Server

    Singh, Sukhjit; Sahoo, B K; Arora, Bindiya

    2016-01-01

    We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole and quadrupole polarizabilities of the alkali atoms and singly ionized alkaline earth atoms, whereas a relativistic random phase approximation approach has been adopted to evaluate these quantities for the closed-shell configured inert gas atoms and the singly and doubly ionized alkali and alkaline earth atoms, respectively. Accuracies of these results are adjudged from the comparison of their static polarizability values with their respective experimental results. These polarizabilities are further compared with the other theoretical results. Reason for the improvement in the accuracies of our estimated dispersion coefficients than the data listed in [At. Data and Nucl. Data Tables 101, 58 (2015)] are discussed. Results for some of the atom-ion interacting systems were not...

  1. Derivation of a poroelastic flexural shell model

    CERN Document Server

    Mikelic, Andro

    2015-01-01

    In this paper we investigate the limit behavior of the solution to quasi-static Biot's equations in thin poroelastic flexural shells as the thickness of the shell tends to zero and extend the results obtained for the poroelastic plate by Marciniak-Czochra and Mikeli\\'c. We choose Terzaghi's time corresponding to the shell thickness and obtain the strong convergence of the three-dimensional solid displacement, fluid pressure and total poroelastic stress to the solution of the new class of shell equations. The derived bending equation is coupled with the pressure equation and it contains the bending moment due to the variation in pore pressure across the shell thickness. The effective pressure equation is parabolic only in the normal direction. As additional terms it contains the time derivative of the middle-surface flexural strain. Derivation of the model presents an extension of the results on the derivation of classical linear elastic shells by Ciarlet and collaborators to the poroelastic shells case. The n...

  2. SDS-2 modelling with DRAG-SHELL

    International Nuclear Information System (INIS)

    For SDS2 physics modelling, Ontario Hydro, 'now Ontario Power Generation' introduced an automated methodology driven by a shell script named SDS2-SHELL, which uses the supercell code MULTICELL and the lattice code POWDERPUFS-V, in order to provide appropriate incremental cross sections corresponding to various stages of poison injection in the moderator. With the current move to newer physics tools, RFSP-IST is now required to have the capability to perform SDS-2 analysis in the full-two- energy-group methodology. In order to achieve this functionality, a new shell script, DRAG-SHELL, which uses the supercell code DRAGON and the lattice code WIMS-IST, was developed. The new DRAG-SHELL methodology has been automated using a UNIX Korn shell script. The execution of the suite of codes and the manipulation of the huge input and output data required for SDS-2 simulation is achieved by using intuitive, English language keywords. Some of the features of DRAG-SHELL include maintaining consistency of code-to-code data transfer and the standardization of input formats. (author)

  3. Free vibration analysis of delaminated composite shells using different shell theories

    International Nuclear Information System (INIS)

    Free vibration response of laminated composite shells with delamination is presented using the finite element method based on first order shear deformation theory. The shell theory used is the extension of dynamic, shear deformable theory according to the Sanders' first approximation for doubly curved shells, which can be reduced to Love's and Donnell's theories by means of tracers. An eight-noded C0 continuity, isoparametric quadrilateral element with five degrees of freedom per node is used in the formulation. For modeling the delamination, multipoint constraint algorithm is incorporated in the finite element code. The natural frequencies of the delaminated cylindrical (CYL), spherical (SPH) and hyperbolic paraboloid (HYP) shells are determined by using the above mentioned shell theories, namely Sanders', Love's, and Donnell's. The validity of the present approach is established by comparing the authors' results with those available in the literature. Additional studies on free vibration response of CYL, SPH and HYP shells are conducted to assess the effects of delamination size and number of layers considering all three shell theories. It is shown that shell theories according to Sanders and Love always predict practically identical frequencies. Donnell's theory gives reliable results only for shallow shells. Moreover, the natural frequency is found to be very sensitive to delamination size and number of layers in the shell.

  4. Photonic, Electronic and Atomic Collisions

    Science.gov (United States)

    Fainstein, Pablo D.; Lima, Marco Aurelio P.; Miraglia, Jorge E.; Montenegro, Eduardo C.; Rivarola, Roberto D.

    2006-11-01

    . Absolute total cross sections for electron-CH[symbol] scattering at intermediate energies / M. C. A. Lopes ... [et al.]. Electron-CO[symbol] scattering in a cluster environment / I. I. Fabrikant. Isomer effect in electron collisions with small hydrocarbons / M. H. F. Bettega ... [et al.]. Low energy electron interactions with bio-molecules / B. P. Marinković ... [et al.]. Narrow resonances in dissociative electron attachment and vibrational excitation in H[symbol] / M. Číček. (e, 2e) experiments with randomly oriented and fixed-in-space hydrogen molecules / M. Takahashi. Initial and final state correlation effects in (e, 3e) processes / G. Gasaneo, S. Otranto and K. V. Rodríguez. An (e, 2˙e) experiment for simultaneous ionization-excitation of helium to the He[symbol](2p)[symbol]P states by electron impact / A. Dorn ... [et al.] -- Collisions involving exotic particles. Antihydrogen in the laboratory / M. Charlton. Atomic collisions involving positrons / H. R. J. Walters and C. Starret. Ionization and positronium formation in noble gases / J. P. Marler, J. P. Sullivan and C. M. Surko. Study of inner-shell ionization by low-energy positron impact / Y. Nagashima ... [et al.]. Positron-atom bound states and interactions / M. W. J. Bromley. Extraction of ultra-slow antiproton beams for single collision experiments / H. A. Torii ... [et al.]. Positronium formation from valence and inner shells in noble gases / L. J. M. Dunlop and G. F. Gribakin. Molecular effects in neutrino mass measurements / N. Doss ... [et al.] -- Collisions involving heavy projectiles. Probing the solar wind with cometary X-ray and far-ultraviolet emission / R. Hoekstra ... [et al.]. Production of O[symbol] + neutrals from the collision of C[symbol] with water / H. Luna ... [et al.]. Vector correlation of fragment ions produced by collision of Ar[symbol] with dimethyldisulfide / T. Matsuoka ... [et al.]. Slow multiply charged ion-molecule collision dynamics studied through a multi

  5. Atomic and molecular structure

    International Nuclear Information System (INIS)

    This book is a textbook for an introductory course of atomic physics for students of chemistry. After an introduction to the mathematical and physical foundations the quantum mechanical theory of atoms is described starting from simple examples of quantum mechanics. Then the atomic structure and the chemical bending are extensively discussed. This book is also suited for physicists who are especially interested in the atomic structure and the theory of chemical reactions. (HSI)

  6. Atomic Scale Plasmonic Switch

    OpenAIRE

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

    2016-01-01

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

  7. Atomizing nozzle and process

    Science.gov (United States)

    Anderson, Iver E.; Figliola, Richard S.; Molnar, Holly M.

    1992-06-30

    High pressure atomizing nozzle includes a high pressure gas manifold having a divergent expansion chamber between a gas inlet and arcuate manifold segment to minimize standing shock wave patterns in the manifold and thereby improve filling of the manifold with high pressure gas for improved melt atomization. The atomizing nozzle is especially useful in atomizing rare earth-transition metal alloys to form fine powder particles wherein a majority of the powder particles exhibit particle sizes having near-optimum magnetic properties.

  8. Antiprotonic Helium Atoms

    OpenAIRE

    Kartavtsev, O. I.

    1995-01-01

    Metastable antiprotonic helium atoms $^{3,4}\\! H\\! e\\bar pe$ have been discovered recently in experiments of the delayed annihilation of antiprotons in helium media. These exotic atoms survive for an enormous time (about tens of microseconds) and carry the extremely large total angular momentum $L\\sim 30-40$. The theoretical treatment of the intrinsic properties of antiprotonic helium atoms, their formation and collisions with atoms and molecules is discussed.

  9. Atoms Talking to SQUIDs

    OpenAIRE

    2011-01-01

    We present a scheme to couple trapped $^{87}$Rb atoms to a superconducting flux qubit through a magnetic dipole transition. We plan to trap atoms on the evanescent wave outside an ultrathin fiber to bring the atoms to less than 10 $\\mu$m above the surface of the superconductor. This hybrid setup lends itself to probing sources of decoherence in superconducting qubits. Our current plan has the intermediate goal of coupling the atoms to a superconducting LC resonator.

  10. Determination of K shell absorption jump factors and jump ratios in the elements between Tm( Z = 69) and Os( Z = 76) by measuring K shell fluorescence parameters

    Science.gov (United States)

    Kaya, N.; Tıraşoğlu, E.; Apaydın, G.

    2008-04-01

    The K shell absorption jump factors and jump ratios have been measured in the elements between Tm ( Z = 69) and Os( Z = 76) without having any mass attenuation coefficient at the upper and lower energy branch of the K absorption edge. The jump factors and jump ratios for these elements have been determined by measuring K shell fluorescence parameters such as the total atomic absorption cross-sections, the K α X-ray production cross-sections, the intensity ratio of the K β and K α X-rays and the K shell fluorescence yields. We have performed the measurements for the calculations of these values in attenuation and direct excitation experimental geometry. The K X-ray photons are excited in the target using 123.6 keV gamma-rays from a strong 57Co source, and detected with an Ultra-LEGe solid state detector with a resolution 0.15 keV at 5.9 keV. The measured values have been compared with theoretical and others' experimental values. The results have been plotted versus atomic number.

  11. Atomic dynamics with attosecond VUV pulses

    International Nuclear Information System (INIS)

    Full text: Dynamical information on inner-shell processes was hitherto extracted from linewidths in the energy-domain. The recent realization of attosecond pulses with high photon energies now permits a time-based view of the extremely rapid relaxation processes that follow the creation of an atomic core hole. Extension of the pump-probe technique for this purpose requires i) ultrashort well isolated pulses of sufficiently high photon energy, and ii) a method for sampling the time of the emission of an electron with respect to the photoexcitation event. The exciting (pump) VUV pulses are generated as high harmonics of few-cycle (2-3 cycles of 2.5 fs) laser pulses (hv = 1.6 eV) in a neon medium at intensities exceeding 1014 W/cm2. Proper spectral filtering with dedicated multilayer reflectors at the harmonic cut-off results in VUV radiation bursts as short 250. The generated photon energies of about 100 eV are sufficiently energetic for creating vacancies in atoms, e.g. the M-shell of krypton, with the subsequent core-hole relaxation giving rise to emission of Auger electrons. A delayed (probe) laser ld acts as an ultrafast gate by exchanging momentum with the electron at the instant of its ejection, thus modulating the electrons kinetic energy. Analysis of the formed delay-dependent spectral sidebands reveals the evolution of the Auger wave packet. As the technique does not rely on particular transitions, a wide range of electron-emission processes following inner-shell photoexcitation will become accessible to time-resolved studies

  12. Ternary and quaternary Lennard-Jones atomic clusters: The effects of atomic sizes on the compositions, geometries, and relative stability

    Energy Technology Data Exchange (ETDEWEB)

    Takeuchi, Hiroshi, E-mail: takehi@sci.hokudai.ac.jp

    2015-08-18

    Highlights: • Geometry optimization of ternary and quaternary Lennard-Jones clusters. • Elucidation of atomic compositions, growth sequence, and relative stability. • Pronounced effects of the atom-size difference on the features of the clusters. • High efficiency of atom-type conversions in the geometry optimization. - Abstract: Global-minimum geometries of ternary and quaternary Lennard-Jones clusters have been calculated with constraints on atomic compositions of the clusters. In the present study, the constraints were removed to obtain optimal compositions. The size ratios of the largest-sized atom to the smallest-sized one ranged from 1.1 to 1.6 whereas the depths of the interatomic potentials were constant. The heuristic method combined with the geometrical perturbations and atom-type conversion was used to search for the global minima of the clusters with up to 50 atoms. The smallest-sized and largest-sized atoms usually occupy cores and outer shells, respectively, and the atoms with intermediate sizes are often lacking. The size ratio has pronounced effects on the compositions, structures, and relative stability of the clusters.

  13. Ternary and quaternary Lennard-Jones atomic clusters: The effects of atomic sizes on the compositions, geometries, and relative stability

    International Nuclear Information System (INIS)

    Highlights: • Geometry optimization of ternary and quaternary Lennard-Jones clusters. • Elucidation of atomic compositions, growth sequence, and relative stability. • Pronounced effects of the atom-size difference on the features of the clusters. • High efficiency of atom-type conversions in the geometry optimization. - Abstract: Global-minimum geometries of ternary and quaternary Lennard-Jones clusters have been calculated with constraints on atomic compositions of the clusters. In the present study, the constraints were removed to obtain optimal compositions. The size ratios of the largest-sized atom to the smallest-sized one ranged from 1.1 to 1.6 whereas the depths of the interatomic potentials were constant. The heuristic method combined with the geometrical perturbations and atom-type conversion was used to search for the global minima of the clusters with up to 50 atoms. The smallest-sized and largest-sized atoms usually occupy cores and outer shells, respectively, and the atoms with intermediate sizes are often lacking. The size ratio has pronounced effects on the compositions, structures, and relative stability of the clusters

  14. A theory of latticed plates and shells

    CERN Document Server

    Pshenichnon, Gi

    1993-01-01

    The book presents the theory of latticed shells as continual systems and describes its applications. It analyses the problems of statics, stability and dynamics. Generally, a classical rod deformation theory is applied. However, in some instances, more precise theories which particularly consider geometrical and physical nonlinearity are employed. A new effective method for solving general boundary value problems and its application for numerical and analytical solutions of mathematical physics and reticulated shell theory problems is described. A new method of solving the shell theory's nonli

  15. Windows PowerShell Quick Reference

    CERN Document Server

    Holmes, Lee

    2006-01-01

    For years, support for scripting and command-line administration on the Windows platform has paled in comparison to the support offered by the Unix platform. Unix administrators enjoyed the immense power and productivity of their command shells, while Windows administrators watched in envy. Windows PowerShell, Microsoft's next-generation command shell and scripting language, changes this landscape completely. This Short Cut contains the essential reference material to help you get your work done-including the scripting language syntax, a regular-expression reference, useful .NET classes, an

  16. Galileon Radiation from a Spherical Collapsing Shell

    CERN Document Server

    Martin-Garcia, Javier

    2016-01-01

    Galileon radiation in the collapse of a thin spherical shell of matter is analyzed. In the framework of a cubic Galileon theory, we compute the field profile produced at large distances by a short collapse, finding that the radiated field has two peaks traveling ahead of light fronts. The total energy radiated during the collapse follows a power law scaling with the shell's physical width and results from two competing effects: a Vainshtein suppression of the emission and an enhancement due to the thinness of the shell.

  17. Effective Interactions from No Core Shell Model

    International Nuclear Information System (INIS)

    We construct the many-body effective Hamiltonian for pf-shell by carrying out 2ℎ(Omega) NCSM calculations at the 2-body cluster level. We demonstrate how the effective Hamiltonian derived from realistic nucleon-nucleon (NN) potentials for the 2ℎ(Omega) NCSM space should be modified to properly account for the many-body correlations produced by truncating to the major pf-shell. We obtain two-body effective interactions for the pf-shell by using direct projection and use them to reproduce the results of large scale NCSM for other light Ca isotopes

  18. Thin shells joining local cosmic string geometries

    CERN Document Server

    Eiroa, Ernesto F; Simeone, Claudio

    2016-01-01

    In this article we present a theoretical construction of spacetimes with a thin shell that joins two different local cosmic string geometries. We study two types of global manifolds, one representing spacetimes with a standard thin shell and the other corresponding to wormholes which are not symmetric across the throat located at the shell. We analyze the stability of the static configurations under perturbations preserving the cylindrical symmetry. For both types of geometries we find that the static configurations can be stable for suitable values of the parameters.

  19. Frontiers and challenges of nuclear shell model

    International Nuclear Information System (INIS)

    Two recent developments of the nuclear shell model are presented. One is a breakthrough in computational feasibility owing to the Monte Carlo Shell Model (MCSM). By the MCSM, the structure of low-lying states can be studied with realistic interactions for a wide, nearly unlimited basically, variety of nuclei. The magic numbers are the key concept of the shell model, and are shown to be different in exotic nuclei from those of stable nuclei. Its novel origin and robustness will be discussed. (orig.)

  20. Extraction of Polyphenols from Cashew Nut Shell

    OpenAIRE

    Mathew Obichukwu EDOGA; Labake FADIPE; Rita Ngozi EDOGA

    2006-01-01

    Cashew nut shell liquid (CNSL) was extracted from cashew nut shell by indirect leaching process using soxhlet extraction equipment. Normal hexane (n-hexane) was used as solvent. The operating conditions for the extraction were 680C and 1 atmosphere in every 100g of cashew nut shell used for the extraction, 35gCNSL was obtained. The CNSL was further separated into cardol, cardanol and anacardic acid (polyphenol) using an amine extractant (alanine) with the aid of shake-out separation equipment...

  1. Photon propagator in light-shell gauge

    Science.gov (United States)

    Georgi, Howard; Kestin, Greg; Sajjad, Aqil

    2016-05-01

    We derive the photon propagator in light-shell gauge (LSG) vμAμ=0 , where vμ=(1,r ^ ) μ . This gauge is an important ingredient of the light-shell effective theory—an effective theory for describing high energy jet processes on a 2-dimensional spherical shell expanding at the speed of light around the point of the initial collision producing the jets. Since LSG is a noncovariant gauge, we cannot calculate the LSG propagator by using the standard procedure for covariant gauges. We therefore employ a new technique for computing the propagator, which we hope may be of relevance in other gauges as well.

  2. Bending stresses in Facetted Glass Shells

    DEFF Research Database (Denmark)

    Bagger, Anne; Jönsson, Jeppe; Almegaard, Henrik

    A shell structure of glass combines a highly effective structural principle with a material of optimal permeability to light. A facetted shell structure has a piecewise plane geometry, and together the facets form an approximation to a curved surface. A distributed load on a plane-based facetted...... structure will locally cause bending moments in the loaded facets. The bending stresses are dependent on the stiffness of the joints. Approximate solutions are developed to estimate the magnitude of the bending stresses. A FE-model of a facetted glass shell structure is used to validate the expressions and...

  3. The off-shell c-map

    Science.gov (United States)

    Banerjee, Nabamita; de Wit, Bernard; Katmadas, Stefanos

    2016-01-01

    The off-shell version of the c-map is presented, based on a systematic off-shell reduction from four to three space-time dimensions for supergravity theories with eight supercharges. In the reduction, the R-symmetry group is enhanced to local [SU(2)× SU(2)]/{{Z}}_2=SO(4) and the c-map is effected by a parity transformation in the internal space that interchanges the two SU(2) factors. Vector and tensor supermultiplets are each others conjugate under the c-map and both can be dualized in three dimensions to (on-shell) hypermultiplets.

  4. Shell States of Neutron Rich Matter

    CERN Document Server

    Horowitz, C J

    2008-01-01

    The equation of state (EOS) for nuclear and neutron rich matter is investigated in a Relativistic Mean Field (RMF) model. New shell states are found that minimize the free energy per baryon, calculated in a spherical Wigner-Seitz (WS) approximation, over a significant range of baryon densities. These shell states, that have both inside and outside surfaces, minimize the Coulomb energy of large proton number configurations at the expense of a larger surface energy. This is related to a possible depression in the central density of super heavy nuclei. As the baryon density increases, we find the system changes from normal nuclei, to shell states, and then to uniform matter.

  5. Color Fields on the Light-Shell

    CERN Document Server

    Georgi, Howard; Sajjad, Aqil

    2010-01-01

    We study the classical color radiation from very high energy collisions that produce colored particles. In the extreme high energy limit, the classical color fields are confined to a light-shell expanding at $c$ and are associated with a non-linear $\\sigma$-model on the 2D light-shell with specific symmetry breaking terms. We argue that the quantum version of this picture exhibits asymptotic freedom and may be a useful starting point for an effective light-shell theory of the structure between the jets at a very high energy collider.

  6. On micropolar theory of shallow shells

    Directory of Open Access Journals (Sweden)

    Ambartsumian S.A.

    2010-09-01

    Full Text Available The simplified theory of the shallow shells is suggested on the base of the Kirchhoff-Love hypothesis and pseudo-Cosserat medium. The bending and vibrations problem of the shallow spherical shell is investigated. The value of shell small thickness is determined, when micro-rotational are essential. пологая оболочка, микровращение, изгиб, microrotation, bending, vibration

  7. On micropolar theory of shallow shells

    OpenAIRE

    Ambartsumian S.A.; Belubekyan M.V.

    2010-01-01

    The simplified theory of the shallow shells is suggested on the base of the Kirchhoff-Love hypothesis and pseudo-Cosserat medium. The bending and vibrations problem of the shallow spherical shell is investigated. The value of shell small thickness is determined, when micro-rotational are essential. пологая оболочка, микровращение, изгиб, microrotation, bending, vibration

  8. Tunneling spectroscopy of multi-shell carbon fullerenes

    Science.gov (United States)

    Doore, Keith; Cook, Matt; Clausen, Eric; Kidd, Tim; Ye, Zhipeng; Ye, Gaihua; He, Rui; Stollenwerk, Andrew

    Carbon allotropes such as fullerenes and nanotubes have generated considerable interest due possible exploitation of their mechanical and electrical properties for practical applications. Carbon onions are a type of fullerene consisting of multiple spherically concentric shells of curved graphitic sheets. Compared to single-shell fullerenes, few studies have been directed toward understanding the structural and electrical properties of carbon onions. Because carbon onions have proven difficult to fabricate in a controlled method, most of these studies have focused on synthesis methods. In this study, we investigate the electrical properties of carbon onions using a scanning tunneling microscope. Carbon onions were fabricated using ultrasonic agitation to break down isopropanol facilitated by a MoS2 catalyst. Particles suspended in the remaining solution were deposited onto atomically flat HOPG substrates. Scanning tunneling spectroscopy indicate that carbon onions can exhibit both metallic and semiconducting properties, similar to carbon nanotubes. This work was supported in part by the National Science Foundation, Grants No. DMR-1206530 and No. DMR-1410496.

  9. Ultimate load capacity assessment of reinforced concrete shell structures

    International Nuclear Information System (INIS)

    The objective of this study is to develop capability for prediction of ultimate load capacity of reinforced concrete shell structures. The present finite element code ULCA (Ultimate Load Capacity Assessment) adopts a degenerate concept of formulating general isoparametric shell element with a layered approach in the thickness direction. Different failure modes such as crushing, tensile cracking and reinforcement yielding are recognised for various problems. The structure fails by crushing of concrete when the concrete strain/stress reaches the ultimate stress or strain of concrete. Material nonlinearities as a result of tension cracking, tension stiffening between reinforcement and concrete in cracked region and yielding of reinforcement are considered along with geometric nonlinearity. Thus with this code it is possible to predict the pressure at which the first cracking, first through thickness cracking, first yielding of reinforcement occurs. After validating the code with few bench mark problems for different failure modes a reinforced concrete nuclear containment is analysed for its ultimate capacity and the results are matched with the published results. Further the ultimate load capacity of outer containment wall of Narora Atomic Power Station is predicted. It is observed that containment fails in membrane region and has a sufficient margin against design pressure. (author). 9 refs., 56 figs., 3 tabs., 1 appendix with 4 tabs

  10. Atomic Spectra Database (ASD)

    Science.gov (United States)

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

  11. Atomic Energy Control Act

    International Nuclear Information System (INIS)

    This act provides for the establishment of the Atomic Energy Control Board. The board is responsible for the control and supervision of the development, application and use of atomic energy. The board is also considered necessary to enable Canada to participate effectively in measures of international control of atomic energy

  12. Stability of core-shell nanowires in selected model solutions

    Science.gov (United States)

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

    2015-03-01

    This paper presents the studies of stability of magnetic core-shell nanowires prepared by electrochemical deposition from an acidic solution containing iron in the core and modified surface layer. The obtained nanowires were tested according to their durability in distilled water, 0.01 M citric acid, 0.9% NaCl, and commercial white wine (12% alcohol). The proposed solutions were chosen in such a way as to mimic food related environment due to a possible application of nanowires as additives to, for example, packages. After 1, 2 and 3 weeks wetting in the solutions, nanoparticles were tested by Infrared Spectroscopy, Atomic Absorption Spectroscopy, Transmission Electron Microscopy and X-ray diffraction methods.

  13. Simulation of shell type nuclear U-tube exchanger

    International Nuclear Information System (INIS)

    The work reported in this paper is a part of a large task program currently executed by the national center of nuclear safety and radiation control (N C-NSRC), atomic energy authority (AEA), Egypt, the overall task has the objective of developing analytical tools for assessing the safety of nuclear research and power systems. The objective of the present study is to developed a lumped parameter; non-liner; time-domain model for the shell type U-tube heat exchanger (UTHE) of the Egyptian test and research reactor number 1 (ETRR-1), the model consists of a set of differential and algebraic equations describing the dynamic behavior of the heat exchanger under power anomalies and loss of coolant accidents. The model is coupled with a previously developed one (E-NSRC-ETRR-1) and the obtained results declared the inherent safety characteristics of the ETRR-1 facility.4 figs, 1 tab

  14. Inelastic electron scattering investigation of the complete 4d shell

    International Nuclear Information System (INIS)

    In order to test for collective behavior in the filled 4d shell of single atoms with Z approx. = 54, inelastic electron scattering experiments were performed on thin films of antimony, tellurium and barium fluoride using 300 keV electrons. The Te measurements at low momentum transfers are in absolute agreement with photoabsorption results. For Te, a high concentration of oscillator strength is found in the broad maximum which dominates the 4d excitation spectrum. With the aid of a background subtraction, the energy centroid of this feature is located. In a comparison with simple models, the measured energy shift in the 4d continuum as a function of momentum transfer favors a single particle rather than collective description

  15. Correspondences between the Classical Electrostatic Thomson Problem and Atomic Electronic Structure

    CERN Document Server

    LaFave, Tim

    2014-01-01

    Correspondences between the Thomson Problem and atomic electron shell-filling patterns are observed as systematic non-uniformities in the distribution of potential energy necessary to change configurations of $N\\le 100$ electrons into discrete geometries of neighboring $N-1$ systems. These non-uniformities yield electron energy pairs, intra-subshell pattern similarities with empirical ionization energy, and a salient pattern that coincides with size-normalized empirical ionization energies. Spatial symmetry limitations on discrete charges constrained to a spherical volume are conjectured as underlying physical mechanisms responsible for shell-filling patterns in atomic electronic structure and the Periodic Law.

  16. Spontaneous spherical symmetry breaking in atomic confinement

    CERN Document Server

    Sveshnikov, K

    2016-01-01

    The effect of spontaneous breaking of initial SO(3) symmetry is shown to be possible for an H-like atom in the ground state, when it is confined in a spherical box under general boundary conditions of "not going out" through the box surface (i.e. third kind or Robin's ones), for a wide range of physically reasonable values of system parameters. The reason is that such boundary conditions could yield a large magnitude of electronic wavefunction in some sector of the box boundary, what in turn promotes atomic displacement from the box center towards this part of the boundary, and so the underlying SO(3) symmetry spontaneously breaks. The emerging Goldstone modes, coinciding with rotations around the box center, restore the symmetry by spreading the atom over a spherical shell localized at some distances from the box center. Atomic confinement inside the cavity proceeds dynamically -- due to the boundary condition the deformation of electronic wavefunction near the boundary works as a spring, that returns the at...

  17. Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

    International Nuclear Information System (INIS)

    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)

  18. Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

    Energy Technology Data Exchange (ETDEWEB)

    Palmeri, P., E-mail: patrick.palmeri@umons.ac.be [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); Quinet, P., E-mail: pascal.quinet@umons.ac.be [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); IPNAS, Université de Liège, B-4000 Liège (Belgium); Batani, D., E-mail: batani@celia.u-bordeaux1.fr [CELIA, Université de Bordeaux, F-33400 Talence (France)

    2015-09-15

    The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)

  19. Successive change regularity of actinide properties with atomic number

    International Nuclear Information System (INIS)

    The development and achievements on chemistry of actinide elements are summarised. The relations of properties of actinides to their electronic configurations of valence electronic shells are discussed. Some anomalies of solid properties, the radius contraction, the stable state effect of f7n-orbits (n = 0, 1, 2) and the tetrad effect of oxidation states, etc., with atomic number (Z) are described. 31 figures appended show directly the successive change regularity of actinide properties with Z

  20. Shell side CFD analysis of a small shell-and-tube heat exchanger

    Energy Technology Data Exchange (ETDEWEB)

    Ozden, Ender [Department of Mechanical Engineering, Middle East Technical University, 06531 Ankara (Turkey); Tari, Ilker, E-mail: itari@metu.edu.t [Department of Mechanical Engineering, Middle East Technical University, 06531 Ankara (Turkey)

    2010-05-15

    The shell side design of a shell-and-tube heat exchanger; in particular the baffle spacing, baffle cut and shell diameter dependencies of the heat transfer coefficient and the pressure drop are investigated by numerically modeling a small heat exchanger. The flow and temperature fields inside the shell are resolved using a commercial CFD package. A set of CFD simulations is performed for a single shell and single tube pass heat exchanger with a variable number of baffles and turbulent flow. The results are observed to be sensitive to the turbulence model selection. The best turbulence model among the ones considered is determined by comparing the CFD results of heat transfer coefficient, outlet temperature and pressure drop with the Bell-Delaware method results. For two baffle cut values, the effect of the baffle spacing to shell diameter ratio on the heat exchanger performance is investigated by varying flow rate.