WorldWideScience

Sample records for atomic shells l

  1. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-10-14

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

  3. Electron impact ionization of individual sub-shells and total of L and M shells of atomic targets with Z = 38–92

    Science.gov (United States)

    Haque, A. K. F.; Maaza, M.; Uddin, M. A.; Patoary, M. Atiqur R.; Ismail Hossain, M.; Basak, A. K.; Saha, B. C.; Mahbub, M. Selim

    2017-03-01

    We report an extension and modification of the MCN model of Haque et al (2013 Rad. Phys. Chem. 91 50–9) (XMCN) to study the electron impact ionization of inner L and M shells of neutral atoms by introducing new parameters of the MCN model. The extended XMCN model, including the relativistic effect, has been applied with success to evaluate ionization cross-sections of various atomic targets with Z = 38–92 for both individual subshells and total L-shell and the corresponding cross-sections for the M shell for Z = 79–92 at incident energies E Threshold ≤slant T ≤slant 1 GeV. A comparison with other available theoretical and experimental cross-sections reveals that our results reproduce the experimental measurements with a reasonable accuracy.

  4. Spectral and Atomic Physics Analysis of Xenon L-Shell Emission From High Energy Laser Produced Plasmas

    Science.gov (United States)

    Thorn, Daniel; Kemp, G. E.; Widmann, K.; Benjamin, R. D.; May, M. J.; Colvin, J. D.; Barrios, M. A.; Fournier, K. B.; Liedahl, D.; Moore, A. S.; Blue, B. E.

    2016-10-01

    The spectrum of the L-shell (n =2) radiation in mid to high-Z ions is useful for probing plasma conditions in the multi-keV temperature range. Xenon in particular with its L-shell radiation centered around 4.5 keV is copiously produced from plasmas with electron temperatures in the 5-10 keV range. We report on a series of time-resolved L-shell Xe spectra measured with the NIF X-ray Spectrometer (NXS) in high-energy long-pulse (>10 ns) laser produced plasmas at the National Ignition Facility. The resolving power of the NXS is sufficiently high (E/ ∂E >100) in the 4-5 keV spectral band that the emission from different charge states is observed. An analysis of the time resolved L-shell spectrum of Xe is presented along with spectral modeling by detailed radiation transport and atomic physics from the SCRAM code and comparison with predictions from HYDRA a radiation-hydrodynamics code with inline atomic-physics from CRETIN. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

  5. 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.

  6. Atomic x-ray production by relativistic heavy ions. [Cross sections, K and L shells, ionization 3 and 4. 88 GEV holes

    Energy Technology Data Exchange (ETDEWEB)

    Ioannou, J.G.

    1977-12-01

    The interaction of heavy ion projectiles with the electrons of target atoms gives rise to the production, in the target, of K-, L- or higher shell vacancies which are in turn followed by the emission of characteristic x-rays. The calculation of the theoretical value of the K- and L-shells vacancy production cross section was carried out for heavy ion projectiles of any energy. The transverse component of the cross section is calculated for the first time in detail and extensive tables of its numerical value as a function of its parameters are also given. Experimental work for 4.88 GeV protons and 3 GeV carbon ions is described. The K vacancy cross section has been measured for a variety of targets from Ti to U. The agreement between the theoretical predictions and experimental results for the 4.88 GeV protons is rather satisfactory. For the 3 GeV carbon ions, however, it is observed that the deviation of the theoretical and experimental values of the K vacancy production becomes larger with the heavier target element. Consequently, the simple scaling law of Z/sub 1//sup 2/ for the cross section of the heavy ion with atomic number Z/sub 1/ to the proton cross section is not true, for the K-shell at least. A dependence on the atomic number Z/sub 2/ of the target of the form (Z/sub 1/ - ..cap alpha..Z/sub 2/)/sup 2/, instead of Z/sub 1//sup 2/, is found to give extremely good agreement between theory and experiment. Although the exact physical meaning of such dependence is not yet clearly understood, it is believed to be indicative of some sort of screening effect of the incoming fast projectile by the fast moving in Bohr orbits K-shell electrons of the target. The enhancement of the K-shell ionization cross section by relativistic heavy ions on heavy targets is also discussed in terms of its practical applications in various branches of science and technology.

  7. Exotic atoms and their electron shell

    Energy Technology Data Exchange (ETDEWEB)

    Simons, L.M.; Abbot, D.; Bach, B.; Bacher, R.; Badertscher, A.; Bluem, P.; DeCecco, P.; Eades, J.; Egger, J.; Elsener, K.; Gotta, D.; Hauser, P.; Heitlinger, K.; Horvath, D.; Kottmann, F.; Morenzoni, E.; Missimer, J.; Reidy, J.J.; Siegel, R.; Taqqu, D.; Viel, D. (Paul Scherrer Inst., Villigen (Switzerland) Coll. of William and Mary, Williamsburg, VA (United States) Kernforschungszentrum Karlsruhe GmbH, Inst. fuer Kernphysik, Karlsruhe (Germany) Inst. fuer Experimentelle Kernphysik, Univ. Karlsruhe (Germany) CERN, Geneva (Switzerland) Forschungszentrum Juelich GmbH, Inst. fuer Kernphysik (Germany) KFKI Research Inst. for Particle and Nuclear Physics, Budapest (Hungary) Univ. Pisa (Italy) INFN - Pisa (Italy) ETH Zuerich, Villigen (Switzerland) Physics Dept., Univ. of Mississippi, University, MS (United States))

    1994-04-01

    Progress in the field of exotic atoms seems to increase proportionally with the number of exotic atoms produced and the increase in energy resolution with which the transition energies are determined. Modern experiments use high resolution crystal spectrometers or even aim at laser spectroscopy. The accuracy of these methods is limited by the interaction of the exotic atoms with their surroundings. The most important source of errors is the energy shift caused by the not well known status of the atomic electron shell. A novel method to eliminate these sources of error is presented and the possibilities for further high precision experiments is outlined. (orig.)

  8. Exotic atoms and their electron shell

    Science.gov (United States)

    Simons, L. M.; Abbot, D.; Bach, B.; Bacher, R.; Badertscher, A.; Blüm, P.; DeCecco, P.; Eades, J.; Egger, J.; Elsener, K.; Gotta, D.; Hauser, P.; Heitlinger, K.; Horváth, D.; Kottmann, F.; Morenzoni, E.; Missimer, J.; Reidy, J. J.; Siegel, R.; Taqqu, D.; Viel, D.

    1994-04-01

    Progress in the field of exotic atoms seems to increase proportionally with the number of exotic atoms produced and the increase in energy resolution with which the transition energies are determined. Modern experiments use high resolution crystal spectrometers or even aim at laser spectroscopy. The accuracy of these methods is limited by the interaction of the exotic atoms with their surroundings. The most important source of errors is the energy shift caused by the not well known status of the atomic electron shell. A novel method to eliminate these sources of error is presented and the possibilities for further high precision experiments is outlined.

  9. A New Atom Trap The Annular Shell Atom Trap (ASAT)

    CERN Document Server

    Pilloff, H S; Pilloff, Herschel S.; Horbatsch, Marko

    2002-01-01

    In the course of exploring some aspects of atom guiding in a hollow, optical fiber, a small negative potential energy well was found just in front of the repulsive or guiding barrier. This results from the optical dipole and the van der Waals potentials. The ground state for atoms bound in this negative potential well was determined by numerically solving the Schrodinger eq. and it was found that this negative well could serve as an atom trap. This trap is referred to as the Annular Shell Atom Trap or ASAT because of the geometry of the trapped atoms which are located in the locus of points defining a very thin annular shell just in front of the guiding barrier. A unique feature of the ASAT is the compression of the atoms from the entire volume to the volume of the annular shell resulting in a very high density of atoms in this trap. This trap may have applications to very low temperatures using evaporative cooling and possibly the formation of BEC. Finally, a scheme is discussed for taking advantage of the d...

  10. Observation of internal structure of the L-shell x-ray hypersatellites for palladium atoms multiply ionized by fast oxygen ions

    OpenAIRE

    Czarnota, M.; Banaś, D; Berset, Michel; Chmielewska, D; Dousse, Jean-Claude; Hoszowska, Joanna; Maillard, Yves-Patrick; Mauron, Olivier; Pajek, M.; Polasik, M.; Raboud, Pierre-Alexandre; Rzadkiewicz, J.; Słabkowska, K.; Sujkowski, Z.

    2010-01-01

    An observation of the internal structure of the L-shell hypersatellite x rays resulting from the one-photon decay of L⁻² double-vacancy states in palladium multiply ionized by oxygen ions is reported. The Pd L₃→M4,5 x-ray spectrum was measured with a von Hamos high-resolution crystal spectrometer. The complex shape of the observed spectrum could be interpreted in detail using relativistic multiconfiguration Dirac-Fock calculations. The relative intensities of the measured x rays were found to...

  11. Static dipole polarizability of shell-confined hydrogen atom

    Science.gov (United States)

    Sen, K. D.; Garza, Jorge; Vargas, Rubicelia; Aquino, Norberto

    2002-04-01

    Using the Sternheimer perturbation-numerical procedure, calculations of static dipole polarizability are reported for the shell-confined hydrogen atom as defined by two impenetrable concentric spherical walls. Unusually high polarizability states are predicted for the hydrogen atom as the inner sphere radius is increased to larger values inside the outer sphere of a constant radius. Implications of this model in mimicking internal compression leading to the metallic behaviour of the shell-confined hydrogen atoms are discussed.

  12. 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.

  13. Single-photon superradiance and radiation trapping by atomic shells

    Science.gov (United States)

    Svidzinsky, Anatoly A.; Li, Fu; Li, Hongyuan; Zhang, Xiwen; Ooi, C. H. Raymond; Scully, Marlan O.

    2016-04-01

    The collective nature of light emission by atomic ensembles yields fascinating effects such as superradiance and radiation trapping even at the single-photon level. Light emission is influenced by virtual transitions and the collective Lamb shift which yields peculiar features in temporal evolution of the atomic system. We study how two-dimensional atomic structures collectively emit a single photon. Namely, we consider spherical, cylindrical, and spheroidal shells with two-level atoms continuously distributed on the shell surface and find exact analytical solutions for eigenstates of such systems and their collective decay rates and frequency shifts. We identify states which undergo superradiant decay and states which are trapped and investigate how size and shape of the shell affects collective light emission. Our findings could be useful for quantum information storage and the design of optical switches.

  14. K-shell ionization in relativistic ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Mehler, G.; Soff, G.; Rumrich, K.; Greiner, W.

    1989-08-01

    We present calculations of K-shell ionization probabilities in asymmetric ion-atom collisions at relativistic velocities of the projectile. The time-dependent Dirac equation is represented as a system of coupled differential equations. The transition probabilities are determined using the coordinate space method. This necessitates an extension of the angular momentum coupling compared with nonrelativistic collision systems. Effects of the relativistic projectile motion on the coupling matrix elements and their consequences on K-shell ionization are discussed. (orig.).

  15. K-shell ionization in relativistic ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

    Mehler, G.; Rumrich, K.; Greiner, W.; Soff, G.

    1989-02-01

    We present calculations of K-shell ionization probabilities in asymmetric ion-atom collisions at relativistic velocities of the projectile. The time-dependent Dirac equation is represented as a system of coupled differential equations. The transition probabilities are determined using the coordinate space method. This necessitates an extension of the angular momentum coupling compared with nonrelativistic collision systems. Effects of the relativistic projectile motion on the coupling matrix elements and their consequences on K-shell ionization are discussed.

  16. 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.

  17. The shells of atomic structure in metallic glasses

    Science.gov (United States)

    Pan, S. P.; Feng, S. D.; Qiao, J. W.; Dong, B. S.; Qin, J. Y.

    2016-02-01

    We proposed a scheme to describe the spatial correlation between two atoms in metallic glasses. Pair distribution function in a model iron was fully decomposed into several shells and can be presented as the spread of nearest neighbor correlation via distance. Moreover, angle distribution function can also be decomposed into groups. We demonstrate that there is close correlation between pair distribution function and angle distribution function for metallic glasses. We think that our results are very helpful understanding the atomic structure of metallic glasses.

  18. Scattering of low-energy neutrinos on atomic shells

    Energy Technology Data Exchange (ETDEWEB)

    Babič, Andrej [Dept. of Dosimetry and Application of Ionizing Radiation, Czech Technical University, 115 19 Prague, Czech Rep. (Czech Republic); Institute of Experimental and Applied Physics, Czech Technical University, 128 00 Prague (Czech Republic); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Šimkovic, Fedor [Institute of Experimental and Applied Physics, Czech Technical University, 128 00 Prague (Czech Republic); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Department of Nuclear Physics and Biophysics, Comenius University, 842 48 Bratislava (Slovakia)

    2015-10-28

    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.

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

    Science.gov (United States)

    Hell, Natalie; Brown, Greg V.; Wilms, Jörn; Beiersdorfer, Peter; Kelley, Richard L.; Kilbourne, Caroline A.; Porter, F. Scott

    2016-10-01

    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 11ion trap coupled with the NASA/GSFC EBIT calorimeter spectrometer (ECS). The ECS has a resolution of ~5 e V, i.e., similar to Astro-H/SXS and Chandra/HETG. A comparison to crystal spectra of lower charge states of sulfur with ~0.6 e V resolution shows that the analysis of spectra taken at ECS resolution allows to determine the transition energies of the strongest components.

  20. 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.

  1. 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.

  2. L-shell Auger and Coster-Kronig spectra from relativistic theory

    Science.gov (United States)

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

    1979-01-01

    The intensities of L-shell Auger and Coster-Kronig transitions in heavy atoms have been calculated relativistically. A detailed comparison is made with measured Auger spectra of Pt and U. The pertinent transition energies were computed from relativistic wave functions with inclusion of the Breit interaction, self-energy, a vacuum-polarization correction, and complete atomic relaxation. Multiplet splitting is found to distribute Auger electrons from certain transitions among several lines. The analysis leads to reassignment of a number of lines in the measured spectra. Lines originally identified as L2-L3Ni in the U spectrum are shown to arise from M4,5 Auger transitions instead.

  3. 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.

  4. Physical parameters for proton induced K-, L-, and M-shell ionization processes

    Science.gov (United States)

    Shehla; Puri, Sanjiv

    2016-10-01

    The proton induced atomic inner-shell ionization processes comprising radiative and non-radiative transitions are characterized by physical parameters, namely, the proton ionization cross sections, X-ray emission rates, fluorescence yields and Coster-Kronig (CK) transition probabilities. These parameters are required to calculate the K/L/M shell X-ray production (XRP) cross sections and relative X-ray intensity ratios, which in turn are required for different analytical applications. The current status of different physical parameters is presented in this report for use in various applications.

  5. Imaging the Mott Insulator Shells using Atomic Clock Shifts

    OpenAIRE

    Campbell, Gretchen K.; Mun, Jongchul; Boyd, Micah; Medley, Patrick; Leanhardt, Aaron E.; Marcassa, Luis; Pritchard, David E.; Ketterle, Wolfgang

    2006-01-01

    Microwave spectroscopy was used to probe the superfluid-Mott Insulator transition of a Bose-Einstein condensate in a 3D optical lattice. Using density dependent transition frequency shifts we were able to spectroscopically distinguish sites with different occupation numbers, and to directly image sites with occupation number n=1 to n=5 revealing the shell structure of the Mott Insulator phase. We use this spectroscopy to determine the onsite interaction and lifetime for individual shells.

  6. 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....

  7. Multislice theory of fast electron scattering incorporating atomic inner-shell ionization.

    Science.gov (United States)

    Dwyer, C

    2005-09-01

    It is demonstrated how atomic inner-shell ionization can be incorporated into a multislice theory of fast electron scattering. The resulting theory therefore accounts for both inelastic scattering due to inner-shell ionization and dynamical elastic scattering. The theory uses a description of the ionization process based on the angular momentum representation for both the initial and final states of the atomic electron. For energy losses near threshold, only a small number of independent states of the ejected atomic electron need to be considered, reducing demands on computing time, and eliminating the need for tabulated inelastic scattering factors. The theory is used to investigate the influence of the collection aperture size on the spatial origin of the silicon K-shell EELS signal generated by a STEM probe. The validity of a so-called local approximation is also considered.

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

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas

    2014-01-01

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

  9. 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...... properties were thoroughly characterized by ultraviolet-visible light spectrophotometry, transmission electron microscopy, nanoparticle tracking analysis and electrochemistry. The 8 ± 2 nm Au@PtNPs contained 24 ± 1 mol% Pt and 76 ± 1 mol% Au corresponding to an atomically thin Pt shell. Electrochemical data...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-03-27

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

  12. Ultrafast atomic process in X-ray emission by using inner-shell ionization method for sodium and carbon atoms

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-07-01

    An ultrafast inner-shell ionization process with X-ray emission stimulated by high-intensity short-pulse X-ray is studied. Carbon and sodium atoms are treated as target matter. It is shown that atomic processes of the target determine the necessary X-ray intensity for X-ray laser emission as well as the features of X-ray laser such as wavelength and duration time. The intensity also depends on the density of initial atoms. Furthermore, we show that as the intensity of X-ray source becomes high, the multi-inner-shell ionization predominates, leading to the formation of hollow atoms. As the density of hollow atoms is increased by the pumping X-ray power, the emission of X-rays is not only of significance for high brightness X-ray measurement but also is good for X-ray lasing. New classes of experiments of pump X-ray probe and X-ray laser are suggested. (author)

  13. 78 FR 14778 - Application to Export Electric Energy; Shell Energy North America (US), L.P.

    Science.gov (United States)

    2013-03-07

    ... Application to Export Electric Energy; Shell Energy North America (US), L.P. AGENCY: Office of Electricity... (US), L.P. (Shell Energy) has applied to renew its authority to transmit electric energy from the..., which authorized Shell Energy to transmit electric energy from the United States to Mexico as a...

  14. 78 FR 14779 - Application to Export Electric Energy; Shell Energy North America (US), L.P.

    Science.gov (United States)

    2013-03-07

    ... Application to Export Electric Energy; Shell Energy North America (US), L.P. AGENCY: Office of Electricity... (US), L.P. (Shell Energy) has applied to renew its authority to transmit electric energy from the..., which authorized Shell Energy to transmit electric energy from the United States to Canada as a...

  15. L-Shell Ionization Study of Tungsten by Electron Impact

    Institute of Scientific and Technical Information of China (English)

    彭秀峰; 何福庆; 龙先灌; 安竹; 罗正明

    2001-01-01

    L-shell partial production cross sections of Lα-, Lβ- , Lγ- rays by electron impact were measured by observing the counts of x-rays from an impacted thin tungsten target. The total production cross sections and mean ionization cross sections were deduced from the measured results. The electron beam energy range was found to be 11-36 keV. The influence of electrons reflected by the backing on ionization cross sections has been corrected. The experimental results agree well with the theoretical predictions.

  16. L-SHELL IONIZATION MEASUREMENT OF TUNGSTEN BY ELECTRON IMPACT

    Institute of Scientific and Technical Information of China (English)

    PENG XIU-FENG; HE FU-QING; LONG XIAN-GUAN

    2000-01-01

    L-shell partial production cross sections of Lα- , Lβ-, Lγ- rays by electron impact were measured by observing the counts of X-ray from impacted thin tungsten target. Total production cross sections and mean ionization cross sections were deduced from these measured results. The electron beam energy range was from 11 to 36 keV. Tungsten was sputtered onto a carbon backing to reduce bremsstrahlung of the backing. The effect of electrons reflected by the backing has been corrected. Comparison with two theoretical calculations has performed. The experimental results agree rather well with the theoretical predications.

  17. Valence and L-shell photoionization of Cl-like Argon using R-matrix techniques

    CERN Document Server

    Tyndall, Niall; Ballance, Connor; Hibbert, Alan

    2015-01-01

    Photoionization cross sections are obtained using the relativistic Dirac Atomic R-matrix Codes (DARC) for all valence and L-shell energy ranges between 27-270eV. A total of 557 levels arising from the dominant configurations 3s$^2$3p$^4$, 3s3p$^5$, 3p$^6$, 3s$^2$3p$^3$[3d, 4s, 4p], 3p$^5$3d, 3s$^2$3p$^2$3d$^2$, 3s3p$^4$3d, 3s3p$^3$3d$^2$ and 2s$^2$2p$^5$3s$^2$3p$^5$ have been included in the target wavefunction representation of the Ar III ion, including up to 4p in the orbital basis. We also performed a smaller Breit-Pauli (BP) calculation containing the lowest 124 levels. Direct comparisons are made with previous theoretical and experimental work for both valence shell and L-shell photoionization. Excellent agreement was found for transitions involving the $^2$P$^{\\rm o}$ initial state to all allowed final states for both calculations across a range of photon energies. A number of resonant states have been identified to help analyze and explain the nature of the spectra at photon energies between 250 and 27...

  18. Calculation of L shell production cross sections for the elements with 40{<=}Z{<=}92 at 1-1500 keV

    Energy Technology Data Exchange (ETDEWEB)

    Erdogan, Hasan E-mail: herdogan@pamukkale.edu.tr; Sade, Keziban; Ertugrul, Mehmet

    2004-03-01

    In this study, L shell X-ray production cross sections for the elements atomic number between 40{<=}Z{<=} 92 were calculated for the energy 1-1500 keV. Calculated values were tabulated. Using these tables, we drew the graphics of production cross sections against the atomic numbers and energies. As a result, production cross sections increases with atomic number increase and decrease with energy increases.

  19. 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.

  20. 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)

  1. Inner-shell Annihilation of Positrons in Argon, Iron and Copper Atoms

    CERN Document Server

    Abdel-Raouf, M A; El-Bakry, S Y

    2007-01-01

    The annihilation parameters of positrons with electrons in different shells of Argon, Iron and Copper atoms are calculated below the positronium (Ps) formation thresholds. Quite accurate ab initio calculations of the bound state wavefunctions of Argon, Iron and Copper orbitals are obtained from Cowan computer code. A least-squares variational method (LSVM) is used for determining the wavefunction of the positrons. The program is employed for calculating the s-wave partial cross sections of positrons scattered by Iron and Copper atoms. Our results of the effective charge are compared with available experimental and theoretical ones. --

  2. Proton-induced alginment of the L/sub 3/-subshell in heavy atoms

    Energy Technology Data Exchange (ETDEWEB)

    Jitschin, W.; Kaschuba, A.; Kleinpoppen, H.; Lutz, H.O.

    1982-01-01

    The proton-induced alignment of the L-shell in heavy atoms (54 <= Z <= 92) has been studied my measuring the anisotropy of the emitted x radiation. The proton energies ranged from 150 keV to 10 MeV. The alignment in different target atoms was found to approximately follow a universal curve. Calculations in Born approximation as well as in the semiclassical approach give a good description of the observed alignment at high projectile velocities. In the low energy regime the deflection of the projectile in the Coulomb field of the target nucleus has to be taken into account to obtain agreement between theory and experiment.

  3. Lifetime analysis of individual-atom contacts and crossover to geometric-shell structures in unstrained silver nanowires

    Directory of Open Access Journals (Sweden)

    Christian Obermair

    2011-11-01

    Full Text Available We study the crossover of quantum point contacts from (i individual-atom contacts to (ii electronic-shell effects and finally to (iii geometric-shell effects in electrochemically deposited silver contacts. The method allows the fabrication of mechanically unstrained structures, which is a requirement for determining the individual atomic configuration by means of a detailed lifetime analysis of their conductance. Within the geometric-shell model, the sequence of conductance maxima is explained quantitatively based on the crystal structure data of silver, and the growth mechanism of the nanowires is discussed.

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

    NARCIS (Netherlands)

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

    2012-01-01

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

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

    Science.gov (United States)

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

    2015-12-18

    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 a Bohr model. In addition, based on the analysis of the Bohr model, it is shown that contrary to the TM case, superscattering is hard to achieve by exciting the resonance of transverse electric (TE) graphene plasmons due to their poor field confinements.

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

    Science.gov (United States)

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

    2017-03-01

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

  7. L/M sub-shell measurements on INDUS-2 beam line BL16

    Energy Technology Data Exchange (ETDEWEB)

    Singla, Raj Mittal, E-mail: rmsingla@yahoo.com [Nuclear Science Laboratories, Physics Department, Punjabi University, Patiala -147002 (India)

    2015-06-24

    Beamline BL-16 on INDUS-2 at RRCAT, Indore has been employed for M sub shell measurements on Pt, Au, Hg, Pb, Th and U at 8 and 10 keV photon energies to determine M sub-shell X-ray emission cross-sections and for L sub-shell measurements on Dy, Ho, Er, Lu, Ta, W, Pt, Au, Hg, Pb and Bi with selective creation of electron vacancies in individual sub-shells to derive L Coster-Kronig (CK) yield values. The cross sections have been measured for the first time. The determined L sub-shell CK yields were used to explore some details of CK transitions.

  8. L/M sub-shell measurements on INDUS-2 beam line BL16

    Science.gov (United States)

    Singla, Raj Mittal

    2015-06-01

    Beamline BL-16 on INDUS-2 at RRCAT, Indore has been employed for M sub shell measurements on Pt, Au, Hg, Pb, Th and U at 8 and 10 keV photon energies to determine M sub-shell X-ray emission cross-sections and for L sub-shell measurements on Dy, Ho, Er, Lu, Ta, W, Pt, Au, Hg, Pb and Bi with selective creation of electron vacancies in individual sub-shells to derive L Coster-Kronig (CK) yield values. The cross sections have been measured for the first time. The determined L sub-shell CK yields were used to explore some details of CK transitions.

  9. 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

  10. 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; Ionisation et excitation de l'atome de lithium par impact de particules chargees rapides: Identification des mecanismes de creation de deux lacunes en couche K du lithium en fonction de la charge et de la vitesse du projectile

    Energy Technology Data Exchange (ETDEWEB)

    Rangama, J

    2002-11-01

    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{sup +} and Ar18{sup +}) 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

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

    Science.gov (United States)

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

    2015-03-15

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

  12. Theoretical L-shell Coster-Kronig energies 11 or equal to z or equal to 103

    Science.gov (United States)

    Chen, M. H.; Crasemann, B.; Huang, K. N.; Aoyagi, M.; Mark, H.

    1976-01-01

    Relativistic relaxed-orbital calculations of L-shell Coster-Kronig transition energies have been performed for all possible transitions in atoms with atomic numbers. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order approximation to the local approximation was thus included. Quantum-electrodynamic corrections were made. Each transition energy was computed as the difference between results of separate self-consistent-field calculations for the initial, singly ionized state and the final two-hole state. The following quantities are listed: total transition energy, 'electric' (Dirac-Hartree-Fock-Slater) contribution, magnetic and retardation contributions, and contributions due to vacuum polarization and self energy.

  13. K-shell excitation studied for H- and He-like bismuth ions in collisions with low-z target atoms

    Energy Technology Data Exchange (ETDEWEB)

    Stoehlker, T. [Frankfurt Univ. (Germany). Inst. fuer Kernphysik; Ionescu, D.C. [Hahn-Meitner-Institut Berlin GmbH (Germany). Bereich Theoretische Physik; Rymuza, P. [Institute for Nuclear Studies, Swierk (Poland); Bosch, F.; Geissel, H.; Kozhuharov, C.; Ludziejewski, T.; Mokler, P.H.; Scheidenberger, C. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Stachura, Z. [Henryk Niewodniczanski Inst. of Nuclear Physics, Cracow (Poland); Warczak, A. [Krakow Univ. (Poland). Inst. of Physics; Dunford, R.W. [Argonne National Lab., IL (United States)

    1997-09-01

    The formation of excited projectile states via Coulomb excitation is investigated for hydrogen- and helium-like bismuth projectiles (Z=83) in relativistic ion-atom collisions. The excitation process was unambiguously identified by observing the radiative decay of the excited levels to the vacant 1s shell in coincidence with ions that did not undergo charge exchange in the reaction target. In particular, owing to the large fine structure splitting of Bi, the excitation cross-sections to the various L-shell sublevels are determined separately. The results are compared with detailed relativistic calculations, showing that both the relativistic character of the bound-state wave-functions and the magnetic interaction are of considerable importance for the K-shell excitation process in high-Z ions like Bi. The experimental data confirm the result of the complete relativistic calculations, namely that the magnetic part of the Lienard-Wiechert interaction leads to a significant reduction of the K-shell excitation cross-section. (orig.) 27 refs.

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

    Science.gov (United States)

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

    2012-11-01

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

  15. 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.

  16. 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.

  17. A vortex line for K-shell ionization of a carbon atom by electron impact

    Science.gov (United States)

    Ward, S. J.; Macek, J. H.

    2014-10-01

    We obtained using the Coulomb-Born approximation a deep minimum in the TDCS for K-shell ionization of a carbon atom by electron impact for the electron ejected in the scattering plane. The minimum is obtained for the kinematics of the energy of incident electron Ei = 1801.2 eV, the scattering angle θf = 4°, the energy of the ejected electron Ek = 5 . 5 eV, and the angle for the ejected electron θk = 239°. This minimum is due to a vortex in the velocity field. At the position of the vortex, the nodal lines of Re [ T ] and Im [ T ] intersect. We decomposed the CB1 T-matrix into its multipole components for the kinematics of a vortex, taking the z'-axis parallel to the direction of the momentum transfer vector. The m = +/- 1 dipole components are necessary to obtain a vortex. We also considered the electron to be ejected out of the scattering plane and obtained the positions of the vortex for different values of the y-component of momentum of the ejected electron, ky. We constructed the vortex line for the kinematics of Ei = 1801.2 eV and θf = 4°. S.J.W. and J.H.M. acknowledge support from NSF under Grant No. PHYS- 0968638 and from D.O.E. under Grant Number DE-FG02-02ER15283, respectively.

  18. Structure of various K L1 x-ray satellite lines of heavy atoms

    Science.gov (United States)

    Polasik, Marek; Lewandowska-Robak, Maja

    2004-11-01

    Multiconfiguration Dirac-Fock calculations with the inclusion of the transverse (Breit) interaction and QED corrections have been carried out for Pd, Sn, Tb, Ta, Pb, and Th in order to obtain positions and intensities of various electric dipole, electric quadrupole, and magnetic dipole K x-ray diagram lines and of their KL1 satellites. Theoretically constructed stick spectra have been presented together with synthesized spectra (the sum of the Lorentzian natural line shapes) for each studied element. Taking into account the existence of an L -shell hole in the 2s or 2p subshell, the effect of additional L -shell ionization on the shapes and structure of the K x-ray spectra has been examined. It has been observed that generally with increasing atomic number Z the shapes of particular satellite line groups tend to become smoother and to differ less from the shapes of appropriate diagram lines. Relations between the values of energy shifts of various satellite lines for each element and the changes of these relations with Z have also been studied. Additionally, the relations between the intensities of different diagram lines for each element have been systematically analyzed, likewise the changes with Z of the role of particular diagram lines. This study can be helpful in reliable and quantitative interpretation of many experimental K x-ray spectra of Pd, Sn, Tb, Ta, Pb, and Th induced in collisions with various projectiles.

  19. MEASUREMENT OF L-SHELL IONIZATION CROSS SECTIONS FOR NIOBIUM BY ELECTRON IMPACT

    Institute of Scientific and Technical Information of China (English)

    PENG XIU-FENG; HE FU-QING; LONG XIAN-GUAN; AN ZHU; LUO ZHENG-MING

    2001-01-01

    L-shell ionization cross sections of Nb by electron impact in the energy range from 3 to 40 keV have been determined with a Si(Li) X-ray detector. Influence of reflected electrons from backing on the measurement was corrected using an electron transport model. The experimental results are compared with theoretical calculations of Gryzinski and McGuire.

  20. L- and K-shell emission from X-FEL heated iron

    Science.gov (United States)

    Heimann, Philip; Hansen, Stephanie; Loisel, Guillaume; Bailey, James; Gamboa, Eliseo; Glenzer, Siegfried; Mancini, Roberto; Saunders, Alison; Falcone, Roger; Galtier, Eric

    2016-10-01

    At the LCLS MEC instrument, a tightly focused X-ray FEL beam is used to isochorically heat thin iron samples. Two compound refractive lenses produce a focus estimated to be 0.5 microns (FWHM). The L-emission from the hot, solid-density samples is measured by RAP(001) crystal and grating spectrometers. In addition, the K-emission is observed by a Ge(111) crystal spectrometer. The L-shell emission from iron, which is initially photoionized by the X-ray FEL, tests recent measurements indicating higher-than-predicted broadening of the L-shell emission lines. Heating at 7 and 9.2 keV photon energies compares different heating mechanisms.

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

    CERN Document Server

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

    2016-01-01

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

  2. Incipient manifestation of the shell structure of atoms within the WDA model for the exchange and kinetic energy density functionals

    Science.gov (United States)

    Glossman, M. D.; Balbás, L. C.; Alonso, J. A.

    1995-07-01

    The radial electron density obtained for all the atoms of the main groups of the Periodic Table through the solution of the Euler equation associated with the nonlocal weighted density approximation (WDA) for the exchange and kinetic energy density functionals shows an incipient shell structure which is absent in other calculations using kinetic energy functionals based on the electronic density. The WDA radial density reveals two local maxima and the position of the first maximum correlates with the position of the maximum for the 1s orbital in the Hartree-Fock approximation. The cusp condition at the nucleus is fulfilled accurately. Also we study the density-based electron localization function (DELF) as a complementary procedure for the visualization of shells.

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

    Science.gov (United States)

    2011-03-21

    phospholipids into the lipid bilayer membrane, and cell decoration with/inclusion into biodegradable gel microparti- cles.7–11 However, for these strategies...polymer membrane. The poly(allylamine hydrochloride)/poly(styrene sulfonate) ( PAH /PSS) coating is the mostly explored poly- electrolyte pair used to...this approach for cell surface engineering.42,43 As suggested, overall toxicity of the PAH /PSS LbL shells originates from the positive charge of

  4. Simulation study of 3–5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, G. E., E-mail: kemp10@llnl.gov; Colvin, J. D.; Fournier, K. B.; May, M. J.; Barrios, M. A.; Patel, M. V.; Scott, H. A.; Marinak, M. M. [Lawrence Livermore National Laboratory, Livermore, California 94550-9698 (United States)

    2015-05-15

    Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3–5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (∼n{sub c}/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using HYDRA, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facility (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from CRETIN, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3–5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ∼100–150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (∼20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3–5 keV x-ray source on NIF.

  5. Theory for the atomic shell structure of the cluster magnetic moment and magnetoresistance of a cluster ensemble

    Science.gov (United States)

    Jensen, P. J.; Bennemann, K. H.

    1995-12-01

    We present a simple theory for the cluster size dependence of the average cluster magnetic moment of transition metal clusters. Assuming a local environmental dependence of the atomic magnetic moments, the cluster magnetization exhibits a magnetic shell structure, reflecting the atomic structure of the cluster. Thus, the observed oscillations of the average cluster magnet moment may serve as a fingerprint of the cluster geometry. We also discuss the giant magnetoresistance (GMR) exhibited by an ensemble of magnetic clusters embedded in a metallic matrix. It is shown that the magnetic anisotropy affects strongly the magnetization of the cluster ensemble under certain conditions. Since the GMR depends on the cluster ensemble magnetization, it can be used to determine the cluster magnetic anisotropy energy.

  6. 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.

  7. Inner- and outer-shell electron dynamics in proton collisions with sodium atoms

    NARCIS (Netherlands)

    Zapukhlyak, M.; Kirchner, T.; Ludde, H.J.; Knoop, S.; Morgenstern, R.W.H.; Hoekstra, R.A.

    2005-01-01

    p+Na collisions have been investigated theoretically and experimentally at impact energies in the keV regime. We present results for capture and ionization processes; and, in particular, analyse the role of initial inner-shell electrons, whose active participation is identified in the experiments th

  8. Analgesic effect of coconut shell (Cocos nucifera L liquid smoke on mice

    Directory of Open Access Journals (Sweden)

    Meircurius Dwi C.S

    2012-09-01

    Full Text Available Background: Drugs can be used to eliminate pain by inhibiting the activity of conversing arachidonic acid into prostaglandin. The chemical compositions of coconut shell are cellulose, pentosan, lignin, solvent extraction, uronat anhydrous, nitrogen, and water. One active ingredient in coconut shell is phenyl propanoid (consisting in lignin structure and guaicol. Phenyl propanoid and guaicol are phenolic compounds that can be used as antioxidant, antiseptic, anti-inflammatory, anesthetic and analgesic. Liquid smoke of coconut shell (Cocos nucifera L contains phenolic compound is believed able to bind a component conversing arachidonic acid into prostaglandin. Purpose: The study was aimed to examine the analgesic effect of liquid smoke of coconut shell (Cocos nucifera L. Methods: The study was a laboratory experimental research, conducted on 2-3 months old male mice (Mus musculus with 20-30 grams of weight. There were control group and treatment groups each of which had seven mice. Control group was orally given 0.01 ml/weight (ml/gr of distilled water, after 30 minutes 0.01 ml/weight (ml/gr of acetic acid 0.6% was delivered via intraperitoneal injection. The treatment groups were given liquid smoke of coconut shell (Cocos nucifera L with the concentrations of 25%, 50%, and 100% respectively. The analgesic effect was then determined by decreasing of writhing reflex on mice recorded every 5 minutes for 30 minutes. Results: There were significant differences of writhing reflexes in the treatment groups given liquid smoke of coconut shell with the concentrations of 25%, 50%, and 100%. The higher concentration of liquid smoke the higher its analgesic effect. Conclusion: Liquid smoke of coconut shell (Cocos nucifera L has analgesic effect.Latar belakang: Salah satu mekanisme obat yang digunakan untuk menghilangkan rasa nyeri adalah menghambat aktivitas konversi asam arakhidonat menjadi prostaglandin. Komposisi kimia tempurung kelapa terdiri dari

  9. Proton induced L{sub 1}, L{sub 2}, L{sub 3}-sub-shell X-ray production cross sections of Hf and Au

    Energy Technology Data Exchange (ETDEWEB)

    Bertol, A.P.L., E-mail: anapaula.bertol@gmail.com [Programa de Pós-graduação em Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil); Hinrichs, R. [Programa de Pós-graduação em Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil); Instituto de Geociências, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil); Vasconcellos, M.A.Z. [Programa de Pós-graduação em Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil); Instituto de Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil)

    2015-11-15

    Experimental data for proton induced X-ray production cross sections of L-sub-shells of Hf and Au were obtained, in order to contribute to the existing data sets and to support refinements of the ECPSSR theory. X-ray emissions of mono-elemental 10 nm films of Hf and Au were excited with 0.7–1.5 MeV protons. The measured L-line spectra were fitted assuming Gaussian shapes and constraining peak positions and line widths. The transition energy values used to establish peak positions were based on values proposed in the literature, while the line widths were matched to the detector resolution, obtained independently. The intensity of each line was obtained from the adjusted areas, without the use of emission rates. The line intensities were summed in α, β, γ, and ℓ groups to validate the measurements by comparison with existing data, and in L{sub 1}, L{sub 2}, L{sub 3}-sub-shells for comparison with ECPSSR-UA theory. Ratios of the emission rates of lines of the same sub-shell were obtained and compared with the data from the literature.

  10. Chorus-Driven Outer Radiation Belt Electron Dynamics at Different L-Shells

    Institute of Scientific and Technical Information of China (English)

    ZHANG Sai; XIAO Fu-Liang

    2010-01-01

    @@ Energetic outer radiation belt electron phase space density(PSD)evolution due to interaction with whistler-mode chorus at different L-shells is investigated by solving the diffusion equation including cross diffusion terms.It is found that the difference of diffusion rates for different L-shells occurs primarily at pitch angles 0°-50° and around 90°.In particular,diffusion rates for L = 6.5 are found to be 5-10 times larger than that for L = 3.5 at these pitch angles.In the presence of cross terms,PSD for~MeV electrons after 24 h decreases by about 25,12,10 and 8 times at L = 3.5,4.5,5.5 and 6.5 near the loss cone,and increases by about 55,45,30 and 20 times at larger pitch angles,respectively.After 24 h,the ratios between~MeV electron PSDs from simulations without and with cross diffusion at L = 3.5,4.5,5.5 and 6.5 are about 350,600,800 and 800 near the loss cone,and become 5,5.5,6.5 and 8 at pitch angle 90°,respectively.These results demonstrate that neglect of cross diffusion generally results in the overestimate of PSD,and the cross diffusion plays a more significant role in the resonant interaction between chorus waves and outer radiation belt electrons at larger L.

  11. Shell and core cross-linked poly(L-lysine)/poly(acrylic acid) complex micelles.

    Science.gov (United States)

    Hsieh, Yi-Hsuan; Hsiao, Yung-Tse; Jan, Jeng-Shiung

    2014-12-21

    We report the versatility of polyion complex (PIC) micelles for the preparation of shell and core cross-linked (SCL and CCL) micelles with their surface properties determined by the constituent polymer composition and cross-linking agent. The negatively and positively charged PIC micelles with their molecular structure and properties depending on the mixing weight percentage and polymer molecular weight were first prepared by mixing the negatively and positively charged polyions, poly(acrylic acid) (PAA) and poly(L-lysine) (PLL). The feasibility of preparing SCL micelles was demonstrated by cross-linking the shell of the negatively and positively charged micelles using cystamine and genipin, respectively. The core of the micelles can be cross-linked by silica deposition to stabilize the assemblies. The shell and/or core cross-linked micelles exhibited excellent colloid stability upon changing solution pH. The drug release from the drug-loaded SCL micelles revealed that the controllable permeability of the SCL micelles can be achieved by tuning the cross-linking degree and the SCL micelles exhibited noticeable pH-responsive behavior with accelerated release under acidic conditions. With the versatility of cross-linking strategies, it is possible to prepare a variety of SCL and CCL micelles from PIC micelles.

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

    Science.gov (United States)

    Cipolla, Sam J.

    2011-11-01

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

  13. Radiationless transitions to atomic M 1,2,3 shells - Results of relativistic theory

    Science.gov (United States)

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

    1983-01-01

    Radiationless transitions filling vacancies in atomic M1, M2, and M3 subshells have been calculated relativistically with Dirac-Hartree-Slater wave functions for ten elements with atomic numbers 67-95. Results are compared with those of nonrelativistic calculations and experiment. Relativistic effects are found to be significant. Limitations of an independent-particle model for the calculation of Coster-Kronig rates are noted.

  14. K-shell excitation by K- to L-shell charge transfer in slow Krsup(q+)-Kr and Xesup(q+)-Xe collisions

    Energy Technology Data Exchange (ETDEWEB)

    Schuch, R.; Justiniano, E.; Hoffmann, R. (Heidelberg Univ. (Germany, F.R.). Physikalisches Inst.); Schadt, W.; Schmidt-Boecking, H. (Frankfurt Univ. (Germany, F.R.). Inst. fuer Kernphysik); Mokler, P.H.; Bosch, F.; Schoenfeldt, W.A.; Stachura, Z. (Gesellschaft fuer Schwerionenforschung m.b.H., Darmstadt (Germany, F.R.))

    1983-06-14

    K vacancy production probabilities with decelerated highly-charged Krsup(q+) (2.8 MeV u/sup -1/) on Kr and Xesup(q+) (3.6 MeV u/sup -1/) on Xe were measured by particle-photon coincidences. The impact-parameter-dependent probabilities reveal a dramatic change in shape and absolute height as soon as the projectile bears L-shell vacancies. From a comparison with calculations it is concluded that K- to L-shell charge transfer can be described, even in the heavy collision system Xe on Xe, by the 2p..pi..-2psigma rotational coupling mechanism when the relativistic energy splitting is taken into account. Deviations from a statistical distribution of the projectile L vacancies between the molecular levels are found.

  15. The L-shell ionization of Ho and Os induced by electron impact

    Institute of Scientific and Technical Information of China (English)

    WU Zhangwen; GOU Chengjun; YANG Dailun; PENG Xiufeng; HE Fuqing; LUO Zhengming

    2006-01-01

    The electron-induced L-shell X-ray partial production cross sections, total production cross sections and mean ionization cross sections for Ho and Os have been measured as functions of electron energies from near threshold up to 36 keV by using a thin target with thick substrate technique. The influence of the electrons reflected from the substrate was corrected by using the electron transport bipartition model. Also, the corrected measured results were compared with theoretical predictions proposed by Gryzinski and McGuire.

  16. Novel method for isolation of major phenolic constituents from cashew (Anacardium occidentale L.) nut shell liquid.

    Science.gov (United States)

    Paramashivappa, R; Kumar, P P; Vithayathil, P J; Rao, A S

    2001-05-01

    Commercially available cashew (Anacardium occidentale L.) nut shell liquid (CNSL) mainly contains the phenolic constituents anacardic acid, cardol, and cardanol. These phenolic constituents are themselves heterogeneous, and each of them contains saturated, monoene, diene, and trienes in the fifteen-carbon side chain. This communication describes the separation of anacardic acid, cardol, and cardanol for industrial application. Anacardic acid was selectively isolated as calcium anacardate. The acid-free CNSL was treated with liquor ammonia and extracted with hexane/ethyl acetate (98:2) to separate the mono phenolic component, cardanol. Subsequently, ammonia solution was extracted with ethyl acetate/hexane (80:20) to obtain cardol.

  17. Process for isolation of cardanol from technical cashew (Anacardium occidentale L.) nut shell liquid.

    Science.gov (United States)

    Phani Kumar, P; Paramashivappa, R; Vithayathil, P J; Subba Rao, P V; Srinivasa Rao, A

    2002-07-31

    Commercially available technical cashew (Anacardium occidentale L.) nut shell liquid (CNSL) contains mainly cardanol (decarboxylated anacardic acid) and cardol. Cardanol, the monophenolic component of technical CNSL, is widely used as a synthon for the preparation of a number of polymers and agricultural products. This paper describes the separation of cardanol from toxic cardol. Technical CNSL was dissolved in a mixture of methanol and ammonium hydroxide (8:5) and extracted with hexane to obtain cardanol. The resultant methanolic ammonia layer was extracted with a mixture of ethyl acetate and hexane to yield cardol. This is the first industrially feasible process based on solvent extractions for the isolation of cardanol from technical CNSL.

  18. Nanoscale indentation of polymer and composite polymer-silica core-shell submicrometer particles by atomic force microscopy.

    Science.gov (United States)

    Armini, Silvia; Vakarelski, Ivan U; Whelan, Caroline M; Maex, Karen; Higashitani, Ko

    2007-02-13

    Atomic force microscopy was employed to probe the mechanical properties of surface-charged polymethylmethacrylate (PMMA)-based terpolymer and composite terpolymer core-silica shell particles in air and water media. The composite particles were achieved with two different approaches: using a silane coupling agent (composite A) or attractive electrostatic interactions (composite B) between the core and the shell. Young's moduli (E) of 4.3+/-0.7, 11.1+/-1.7, and 8.4+/-1.7 GPa were measured in air for the PMMA-based terpolymer, composite A, and composite B, respectively. In water, E decreases to 1.6+/-0.2 GPa for the terpolymer; it shows a slight decrease to 8.0+/-1.2 GPa for composite A, while it decreases to 2.9+/-0.6 GPa for composite B. This trend is explained by considering a 50% swelling of the polymer in water confirmed by dynamic light scattering. Close agreement is found between the absolute values of elastic moduli determined by nanoindentation and known values for the corresponding bulk materials. The thickness of the silica coating affects the mechanical properties of composite A. In the case of composite B, because the silica shell consists of separate particles free to move in the longitudinal direction that do not individually deform when the entire composite deforms, the elastic properties of the composites are determined exclusively by the properties of the polymer core. These results provide a basis for tailoring the mechanical properties of polymer and composite particles in air and in solution, essential in the design of next-generation abrasive schemes for several technological applications.

  19. NARROW-DISPERSED CROSSLINKED CORE-SHELL POLYMER MICROSPHERES PREPARED BY SURFACE-INITIATED ATOM TRANSFER RADICAL POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    Yu-zeng Zhao; Xin-lin Yang; Feng Bai; Wen-qiang Huang

    2005-01-01

    Grafting of polystyrene with narrowly dispersed polymer microspheres through surface-initiated atom transfer radical polymerization (ATRP) was investigated. Polydivinylbenzene (PDVB) microspheres were prepared by dispersion polymerization with poly(N-vinyl pyrrolidone) (PVP) as stabilizer. The surfaces of PDVB microspheres were chloromethylated by chloromethyl methyl ether in the presence of zinc chloride as catalyst to form chloromethylbenzene initiating core sites for subsequent ATRP grafting of styrene using CuC1/bpy as catalytic system. Polystyrene was found to be grafted not only from the particle surfaces but also from within a thin shell layer, resulting in the formation of particles size increased from 2.38-2.58 μm, which can further grow to 2.93 μm during secondary grafting polymerization of styrene. This demonstrates that grafting polymerization proceeds through a typical ATRP procedure with living nature. All of the prepared microspheres have narrow particle size distribution with coefficient of variation around 10%.

  20. 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.

  1. Evaluation of Orbital-and Ground State Energies of Some Open-and Closed-Shell Atoms over Integer and Noninteger Slater Type Orbitals

    Institute of Scientific and Technical Information of China (English)

    YAKAR,Yusuf

    2007-01-01

    Ab initio calculations of the orbital and the ground state energies of some open- and closed-shell atoms over Slater type orbitals with quantum numbers integer and Slater type orbitals with quantum numbers noninteger have been performed. In order to increase the efficiency of these calculations the atomic two-electron integrals were expressed in terms of incomplete beta function. Results were observed to be in good agreement with the literature.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

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

  3. Electronic anisotropy between open shell atoms in first and second order perturbation theory

    NARCIS (Netherlands)

    Groenenboom, G.C.; Chu, X.; Krems, R.V.

    2007-01-01

    The interaction between two atoms in states with nonzero electronic orbital angular momenta is anisotropic and can be represented by a spherical tensor expansion. The authors derive expressions for the first order (electrostatic) and second order (dispersion and induction) anisotropic interaction co

  4. K- and L-shell ionization of heavy targets by various 20-and 80-MeV/u projectiles

    NARCIS (Netherlands)

    Kravchuk, VL; van den Berg, AM; Fleurot, F; de Huu, MA; Lohner, H; Wilschut, HW; Polasik, M; Lewandowska-Robak, M; Slabkowska, K

    2001-01-01

    K- and L-shell ionization induced by 20 MeV/u He, C, O, and Ne beams on Ta, Pb, and Th targets, and 80 MeV/u He, C, O beams on a Pb target has been studied. K x-ray production cross sections have been measured and compared with theoretical calculations. Probabilities of creation of one additional L-

  5. Absolute Time-Resolved Emission of Non-LTE L-Shell Spectra from Ti-Doped Aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Back,C.; Feldman, U.; Weaver, J.; Seely, J.; Constantin, C.; Holland, G.; Lee, R.; Chung, H.; Scott, H.

    2006-01-01

    Outstanding discrepancies between data and calculations of laser-produced plasmas in recombination have been observed since the 1980s. Although improvements in hydrodynamic modeling may reduce the discrepancies, there are indications that non-LTE atomic kinetics may be the dominant cause. Experiments to investigate non-LTE effects were recently performed at the NIKE KrF laser on low-density Ti-doped aerogels. The laser irradiated a 2 mm diameter, cylindrical sample of various lengths with a 4-ns square pulse to create a volumetrically heated plasma. Ti L-shell spectra spanning a range of 0.47-3 keV were obtained with a transmission grating coupled to Si photodiodes. The diagnostic can be configured to provide 1-dimensional spatial resolution at a single photon energy, or 18 discrete energies with a resolving power, {gamma}/{delta}{gamma} of 3-20. The data are examined and compared to calculations to develop absolute emission measurements that can provide new tests of the non-LTE physics.

  6. Absolute, time-resolved emission of non-LTE L-shell spectra from Ti-doped aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Back, C.A. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States)]. E-mail: tinaback@llnl.gov; Feldman, U. [Artep Inc. 2922 Excelsior Ct., Ellicott City, MD 21042 (United States); Weaver, J.L. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Seely, J.F. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Constantin, C. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Holland, G. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Lee, R.W. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Chung, H.-K. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Scott, H.A. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States)

    2006-05-15

    Outstanding discrepancies between data and calculations of laser-produced plasmas in recombination have been observed since the 1980s. Although improvements in hydrodynamic modeling may reduce the discrepancies, there are indications that non-LTE atomic kinetics may be the dominant cause. Experiments to investigate non-LTE effects were recently performed at the NIKE KrF laser on low-density Ti-doped aerogels. The laser irradiated a 2mm diameter, cylindrical sample of various lengths with a 4-ns square pulse to create a volumetrically heated plasma. Ti L-shell spectra spanning a range of 0.47-3keV were obtained with a transmission grating coupled to Si photodiodes. The diagnostic can be configured to provide 1-dimensional spatial resolution at a single photon energy, or 18 discrete energies with a resolving power, {lambda}/{delta}{lambda} of 3-20. The data are examined and compared to calculations to develop absolute emission measurements that can provide new tests of the non-LTE physics.

  7. 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

  8. Coupling and binding-saturation effects in L -subshell ionization of heavy atoms by 0.3-1.3-MeV/amu Si ions

    Science.gov (United States)

    Fijał-Kirejczyk, I.; Jaskóła, M.; Czarnacki, W.; Korman, A.; Banaś, D.; Braziewicz, J.; Majewska, U.; Semaniak, J.; Pajek, M.; Kretschmer, W.; Mukoyama, T.; Trautmann, D.; Lapicki, G.

    2008-03-01

    The coupling and binding effects have been studied in L -subshell ionization of heavy Au, Bi, Th, and U atoms by an impact of S28iq+ ions in the energy range of 8.5-36.0 MeV. The measured L x-ray spectra were analyzed taking into account the multiple ionization effects in outer M and N shells. The L -subshell ionization cross sections have been obtained from measured x-ray production cross sections using the L -shell fluorescence and Coster-Kronig yields which were modified for a reduced number of electrons and closed Coster-Kronig transitions in the multiply ionized atoms. The results are compared with the available calculations, which are based on the semiclassical approximation (SCA) as well as the plane-wave Born approximation (PWBA). We demonstrate that for silicon ion impact these theoretical approaches have to be modified to include the L -subshell coupling effect using the “coupled subshell model” (CSM) as well as the saturation of the binding effect at the united atom limit. The calculations modified for both effects are in much better agreement with the data. In particular, an order-of-magnitude improvement of agreement between the data and the SCA-CSM calculations including the binding-saturation effect is reported for low-energy Si ions for the L2 -subshell. The results are also compared with the predictions of the PWBA based ECPSSR and ECUSAR theories accounting for the energy-loss (E), Coulomb-deflection (C), and relativistic (R) effects treating the binding effect within the perturbed stationary state (PSS) approximation with correction for the binding-saturation effect introduced to describe the united-atom and separated-atom (USA) limits.

  9. Relativistic L -shell Auger and Coster-Kronig rates and fluorescence yields

    Science.gov (United States)

    Chen, M. H.; Laiman, E.; Crasemann, B.; Aoyagi, M.; Mark, H.

    1979-01-01

    Relativistic calculations of radiationless transition rates to L -subshell vacancy states in selected atoms with Z in the 70-96 range have been performed. The Auger and Coster-Kronig transition probabilities are calculated from perturbation theory, assuming frozen orbitals, in the Dirac-Hartree-Slater approach. Transition rates, fluorescence yields, and Coster-Kronig yields are compared with nonrelativistic theoretical results and with experiment. Relativity is found to affect the L -subshell Auger widths by (10-25)% and individual transition rates to certain j-j configurations by as much as 40% at Z = 80. The widths of L sub i vacancy states and the L sub 2 Coster-Kronig yields f33 from these relativistic calculations agree much better with experiment than earlier nonrelativistic theoretical values.

  10. 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 ...

  11. L-shell absorption measurement and simulation of x-ray-heated constrained material

    Institute of Scientific and Technical Information of China (English)

    刘红杰; 张保汉; 杨国洪; 李军; 张继彦; 杨家敏; 颜君; 李家明

    2002-01-01

    Using the newly-designed multi-layered target, we obtain a homogeneous Al sample plasma at high density, lowelectron temperature, and in near local thermodynamic equilibrium. L-shell resonance absorption lines of Li-like andBe-like ions, as well as satellites are clearly observed. Transition arrays such as 2s-3p, 2s2-2s3p and 2s2p-2p3p areidentified. We present the calculation method based on the unresolved transition axray model, and we compare themeasured transmission spectrum with the calculated results. The electron temperature of the constrained sample plasmais determined to be 34eV with a variation of ±2eV.

  12. 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 .

  13. A Statistical Correlation Between Low L-shell Electrons Measured by NOAA Satellites and Strong Earthquakes

    Science.gov (United States)

    Fidani, C.

    2015-12-01

    More than 11 years of the Medium Energy Protons Electrons Detector data from the NOAA polar orbiting satellites were analyzed. Significant electron counting rate fluctuations were evidenced during geomagnetic quiet periods by using a set of adiabatic coordinates. Electron counting rates were compared to earthquakes by defining a seismic event L-shell obtained radially projecting the epicenter geographical positions to a given altitude. Counting rate fluctuations were grouped in every satellite semi-orbit together with strong seismic events and these were chosen with the L-shell coordinates close to each other. Electron data from July 1998 to December 2011 were compared for nearly 1,800 earthquakes with magnitudes larger than or equal to 6, occurring worldwide. When considering 30 - 100 keV energy channels by the vertical NOAA telescopes and earthquake epicenter projections at altitudes greater that 1,300 km, a 4 sigma correlation appeared where time of particle precipitations Tpp occurred 2 - 3 hour prior time of large seismic events Teq. This was in physical agreement with different correlation times obtained from past studies that considered particles with greater energies. The correlation suggested a 4-8 hour advance in preparedness of strong earthquakes influencing the ionosphere. Considering this strong correlation between earthquakes and electron rate fluctuations, and the hypothesis that such fluctuations originated with magnetic disturbances generated underground, a small scale experiment with low cost at ground level is advisable. Plans exists to perform one or more unconventional experiments around an earthquake affected area by private investor in Italy.

  14. 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...

  15. 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.

  16. INDRA - Regards sur le coeur de l'atome

    CERN Multimedia

    GANIL (CEA-CNRS) and Culture Production; Eusébio Serrano

    1993-01-01

    Réalisé début 1993 à l'occasion de l'inauguration du détecteur INDRA au GANIL (Grand Accélérateur National d'Ions Lours), ce film propose à travers le récit de la construction de cet instrument, une introduction à la physique nucléaire.

  17. Excitation and decay dynamics of ls2s inner-shell double-vacancy states of neon atoms

    Institute of Scientific and Technical Information of China (English)

    Ding Xiao-Bin; Dong Chen-Zhong; Fumihiro Koike; Takako Kato; Stephan Fritzsche

    2008-01-01

    The photo-excitation and Auger decay processes of inner-shell double vacancy states 1s2s2p6(1,3S)3s3p of neutral neon atoms have been studied theoretically.Multi-configuration Dirac-Fock (MCDF) calculations have been carried out,with electron correlation effects taken into consideration.The relaxation of core and excited orbitals and configuration interaction are found to be crucial to creating the double vacancy states by single photo-absorption.The predominant decay paths for the double vacancy states turn out to be of the LLM Auger decay to is 2s22p53s(3p),KLL Auger decay to 1s22s2p43s3p,and KLM Auger decay to 1s22pS3s(3p).They lead to further Auger decay,creating the neon ions of multiple charge states.For both double and single vacancy states the spectator type of Auger process is dominated in all the Auger decay processes.Theoretical Auger electron spectra are presented for further investigations,experimental and theoretical.

  18. 77 FR 45596 - Shell Energy North America (US), L.P. v. California Independent System Operator Corporation...

    Science.gov (United States)

    2012-08-01

    ... Doc No: 2012-18774] DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. EL12-88 -000] Shell Energy North America (US), L.P. v. California Independent System Operator Corporation; Notice of Complaint Take notice that on July 25, 2012, pursuant to Rule 206 of the Federal Energy...

  19. Investigations of L-shell x-ray production cross sections of In and Sn by low-energy electron impact

    Science.gov (United States)

    Zhao, J. L.; An, Z.; Zhu, J. J.; Tan, W. J.; Liu, M. T.

    2016-03-01

    Results from the measurements of absolute L-shell x-ray production cross sections of In (Z = 49) and Sn (Z = 50) by the impact of electrons with energies in the range of 6-28 keV are presented. The experimental setup has been improved and thin films with thick aluminum substrates were used as targets in the experiments. The effect of directional and energy spreads of the incident electron beam within the films and the characteristic x-ray enhancement due to backscattered electrons and bremsstrahlung photons generated from the substrates were corrected by means of Monte Carlo simulations. The experimental results of In and Sn elements by electron and positron impacts were compared with the DWBA and PWBA-C-Ex theories. It was shown that the L-shell x-ray production cross sections of In and Sn elements by electron impact measured in this paper were in good agreement with the theoretical predictions within the uncertainties and that the discrepancies existed between the experimental results by positron impact, available in the literature, and the theoretical values. The influence of the atomic relaxation parameters (fluorescence yields and Coster-Kronig coefficients) has also been discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-15

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

  1. RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN

    Science.gov (United States)

    Mani, B. K.; Chattopadhyay, S.; Angom, D.

    2017-04-01

    We report the development of a parallel FORTRAN code, RCCPAC, to solve the relativistic coupled-cluster equations for closed-shell and one-valence atoms and ions. The parallelization is implemented through the use of message passing interface, which is suitable for distributed memory computers. The coupled-cluster equations are defined in terms of the reduced matrix elements, and solved iteratively using Jacobi method. The ground and excited states of coupled-cluster wave functions obtained from the code could be used to compute different properties of closed-shell and one-valence atom or ion. As an example we compute the ground state correlation energy, attachment energies, E1 reduced matrix elements and hyperfine structure constants.

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

    CERN Multimedia

    Wilde, M, S

    1966-01-01

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

  3. 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

  4. L X-ray energy shifts and intensity ratios in tantalum with C and N ions – multiple vacancies in M, N and O shells

    Indian Academy of Sciences (India)

    Y Ramakrishna; K Ramachandra Rao; G J Naga Raju; K Bhaskara Rao; V Seshagiri Rao; P Venkateswarlu; S Bhuloka Reddy

    2002-10-01

    The energy shifts and intensity ratios of different L X-ray components in tantalum element due to 10 MeV carbon and 12 MeV nitrogen ions are estimated. From the observed energy shifts, the possible number of simultaneous vacancies in M shell are estimated. A comparison of L/L 2,15, L 1/L 1 and L 2,3/L 4,4 with the ratios due to Scofield theoretical transition rates indicate that the number of multiple vacancies in N shell are higher than the vacancies in M and O shell. Employing Larkin’s statistical scaling procedure, the number of possible multiple vacancies in N and O shells are estimated quantitatively.

  5. Multifunctional antitumor magnetite/chitosan-l-glutamic acid (core/shell) nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Daniela P. [University of Sao Paulo State, UNESP, Institute of Chemistry (Brazil); Ruiz, M. Adolfina; Gallardo, Visitacion [University of Granada, Department of Pharmacy and Pharmaceutical Technology, Faculty of Pharmacy (Spain); Zanoni, Maria Valnice B. [University of Sao Paulo State, UNESP, Institute of Chemistry (Brazil); Arias, Jose L., E-mail: jlarias@ugr.es [University of Granada, Department of Pharmacy and Pharmaceutical Technology, Faculty of Pharmacy (Spain)

    2011-09-15

    The development of anticancer drug delivery systems based on biodegradable nanoparticles has been intended to maximize the localization of chemotherapy agents within tumor interstitium, along with negligible drug distribution into healthy tissues. Interestingly, passive and active drug targeting strategies to cancer have led to improved nanomedicines with great tumor specificity and efficient chemotherapy effect. One of the most promising areas in the formulation of such nanoplatforms is the engineering of magnetically responsive nanoparticles. In this way, we have followed a chemical modification method for the synthesis of magnetite/chitosan-l-glutamic acid (core/shell) nanostructures. These magnetic nanocomposites (average size Almost-Equal-To 340 nm) exhibited multifunctional properties based on its capability to load the antitumor drug doxorubicin (along with an adequate sustained release) and its potential for hyperthermia applications. Compared to drug surface adsorption, doxorubicin entrapment into the nanocomposites matrix yielded a higher drug loading and a slower drug release profile. Heating characteristics of the magnetic nanocomposites were investigated in a high-frequency alternating magnetic gradient: a stable maximum temperature of 46 Degree-Sign C was successfully achieved within 40 min. To our knowledge, this is the first time that such kind of stimuli-sensitive nanoformulation with very important properties (i.e., magnetic targeting capabilities, hyperthermia, high drug loading, and little burst drug release) has been formulated for combined antitumor therapy against cancer.

  6. Precision Wavelength Measurements And Identifications Of EUV Lines From Highly Charged L-Shell yttrium Ions

    Science.gov (United States)

    Silwal, Roshani; Dreiling, Joan; Gillaspy, John; Takacs, Endre; Ralchenko, Yuri

    2016-05-01

    We present the measurements of extreme-ultraviolet spectra of the L-shell ions of highly charged yttrium (Y29+- Y36+) created and trapped in the electron beam ion trap (EBIT) of the National Institute of Standards and Technology. Few Na-like, Mg-like and Al-like yttrium lines (Y26+- Y28+) are reported as well. In order to reach the desired ionization stages, the beam energy was systematically varied from 2.3 keV to 6 keV during the experiment. A flat-field grazing-incidence spectrometer was used to record the spectra in the wavelength range of 4.022 nm to 19.957 nm. The wavelength calibration was provided by the previously measured lines of neon, xenon, oxygen and iron. A total of 63 new spectral lines (allowed and forbidden) corresponding to the Δn = 0 transitions within n = 2 and 3 have been identified using collisional-radiative simulations of the non-Maxwellian EBIT plasma. The total uncertainties assigned to the measured wavelengths vary between 0.001 nm to 0.003 nm and include contributions from calibration uncertainties, statistical uncertainties from the line fits, and estimated systematic uncertainties.

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

    Science.gov (United States)

    Petkov, E. E.; Safronova, A. S.; Kantsyrev, V. L.; Shlyaptseva, V. V.; Rawat, R. S.; Tan, K. S.; Beiersdorfer, P.; Hell, N.; Brown, G. V.

    2016-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

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

    Science.gov (United States)

    Cohen, David D.; Crawford, Jagoda; Siegele, Rainer

    2015-11-01

    Routine PIXE analysis programs, like GUPIX, GEOPIXE and PIXAN generally perform at least two key functions firstly, the fitting of K, L and M characteristic lines X-ray lines to a background, including unfolding of overlapping lines and secondly, the use of a fitted primary Kα, Lα or Mα line area to determine the elemental concentration in a given matrix. To achieve these two results to better than 3-5% the data sets for fluorescence yields, emission rates, Coster-Kronig transitions and ionisation cross sections should be determined to better than 3%. There are many different theoretical and experimental K, L and M datasets for these parameters. How they are applied and used in analysis programs can vary the results obtained for both fitting and concentration determinations. Here we discuss several commonly used datasets for fluorescence yields, emission rates, Coster-Kronig transitions and ionisation cross sections for K, L and M subshells and suggests an optimum set to obtain consistent results for PIXE analyses across a range of elements with atomic numbers from 5 ⩽ Z ⩽ 100.

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

    Science.gov (United States)

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

    2015-12-01

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

  11. Laboratory Measurements of the K-shell transition energies in L-shell ions of Si and S

    CERN Document Server

    Hell, N; Wilms, J; Grinberg, V; Clementson, J; Liedahl, D; Porter, F S; Kelley, R L; Kilbourne, C A; Beiersdorfer, P

    2016-01-01

    We have measured the energies of the strongest 1s-2ell (ell=s,p) transitions in He- through Ne-like silicon and sulfur ions to an accuracy of better than 1eV using Lawrence Livermore National Laboratory's electron beam ion traps, EBIT-I and SuperEBIT, and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify and measure the energies of 18 and 21 X-ray features from silicon and sulfur, respectively. The results are compared to new Flexible Atomic Code calculations and to semi-relativistic Hartree Fock calculations by Palmeri et al. (2008). These results will be especially useful for wind diagnostics in high mass X-ray binaries, such as Vela X-1 and Cygnus X-1, where high-resolution spectral measurements using Chandra's high energy transmission grating has made it possible to measure Doppler shifts of 100km/s. The accuracy of our measurements is consistent with that needed to analyze Chandra observations, exceeding Chandra's 100km/s limit. Hence, the results presented here not only provide benchmarks f...

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

    Directory of Open Access Journals (Sweden)

    Jalaja Suresh Kumar

    2011-01-01

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

  13. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Grau Malonda, A.; Fernandez Martinez, A.

    1985-07-01

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

  15. Antihypertensive and antioxidant activity of atomized andean purple corn (Zea mayz L) hydroalcoholic extract in rats

    OpenAIRE

    Arroyo, Jorge; Facultad de Medicina, Universidad Nacional Mayor de San Marcos. Lima, Perú. Químico farmaceútico.; Raez, Ernesto; Facultad de Medicina, Universidad Nacional Mayor de San Marcos. Lima, Perú. Médico patólogo.; Rodríguez, Miguel; Facultad de Odontología, Universidad Nacional Mayor de San Marcos. Lima, Perú. Odontólogo.; Chumpitaz, Víctor; Facultad Odontología, Universidad Nacional Mayor de San Marcos. Lima, Perú. Odontólogo.; Burga, Jonny; Facultad de Odontología, Universidad Nacional Mayor de San Marcos. Lima, Perú. Odontólogo.; De la Cruz, Walter; Facultad de Farmacia y Bioquímica, Universidad Nacional Mayor de San Marcos. Lima, Perú. Médico.; Valencia, José; Facultad de Farmacia y Bioquímica, Universidad Nacional Mayor de San Marcos. Lima, Perú. Químico Farmacéutico.

    2008-01-01

    Objectives. To determine the antihypertensive and antioxidant activity of the atomized hydroalcoholic extract of Zea mays L. (Andean purple corn) in rats with induced hypertension. Material and methods. We used five groups of six Holtzmann rats each, one without hypertension (negative control) and four with hypertension induced by L-NAME: positive control and three groups for the doses of 250, 500 and 1000 mg/kg, respectively. The treatment was carried out orally once a day for 25 days. Th...

  16. An atomic decomposition of the Haj{\\l}asz Sobolev space $\\Mone$ on manifolds

    CERN Document Server

    Badr, Nadine

    2009-01-01

    Several possible notions of Hardy-Sobolev spaces on a Riemannian manifold with a doubling measure are considered. Under the assumption of a Poincar\\'e inequality, the space $\\Mone$, defined by Haj{\\l}asz, is identified with a Hardy-Sobolev space defined in terms of atoms. Decomposition results are proved for both the homogeneous and the nonhomogeneous spaces.

  17. Photoionisation of Be-like and Li-like atomic oxygen{\\it K}-shell photoionisation of O$^{4+}$ and O$^{5+}$ ions : experiment and theory

    CERN Document Server

    McLaughlin, B M; Cubaynes, D; Guilbaud, S; Douix, S; Shorman, M M Al; Ghazaly, M O A El; Sakho, I; Gharaibeh, M F

    2016-01-01

    Absolute cross sections for the {\\it K}-shell photoionisation of Be-like (O$^{4+}$) and Li-like (O$^{5+}$) atomic oxygen ions were measured for the first time (in their respective {\\it K}-shell regions) by employing the ion-photon merged-beam technique at the SOLEIL synchrotron-radiation facility in Saint-Aubin, France. High-resolution spectroscopy with E/$\\Delta$E $\\approx$ 3200 ($\\approx$ 170 meV, FWHM)was achieved with photon energy from 550 eV up to 670 eV. Rich resonance structure observed in the experimental spectra is analysed using the R-matrix with pseudo-states (RMPS) method. Results are also compared with the screening constant by unit nuclear charge (SCUNC) calculations. We characterise and identify the strong $\\rm 1s \\rightarrow 2p$ resonances for both ions and the weaker $\\rm 1s \\rightarrow np$ resonances ($ n \\ge 3$) observed in the {\\it K}-shell spectra of O$^{4+}$.

  18. Photogenerated carriers transport behaviors in L-cysteine capped ZnSe core-shell quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Shan, Qingsong; Li, Kuiying, E-mail: kuiyingli@ysu.edu.cn; Lin, Yingying; Yin, Hua; Zhu, Ruiping [State Key Laboratory of Metastable Materials Manufacture Technology and Science, Yanshan University, Qinhuangdao 066004 (China); Xue, Zhenjie [Beijing National Laboratory for Molecular Sciences, Key Laboratory of Analytical Chemistry for Living Biosystems, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

    2016-02-07

    The photoexcited carrier transport behavior of zinc selenide (ZnSe) quantum dots (QDs) with core–shell structure is studied because of their unique photoelectronic characteristics. The surface photovoltaic (SPV) properties of self-assembled ZnSe/ZnS/L-Cys core–shell QDs were probed via electric field induced surface photovoltage and transient photovoltage (TPV) measurements supplemented by Fourier transform infrared, laser Raman, absorption, and photoluminescence spectroscopies. The ZnSe QDs displayed p-type SPV characteristics with a broader stronger SPV response over the whole ultraviolet-to-near-infrared range compared with those of other core–shell QDs in the same group. The relationship between the SPV phase value of the QDs and external bias was revealed in their SPV phase spectrum. The wide transient photovoltage response region from 3.3 × 10{sup −8} to 2 × 10{sup −3} s was closely related to the long diffusion distance of photoexcited free charge carriers in the interfacial space–charge region of the QDs. The strong SPV response corresponding to the ZnSe core mainly originated from an obvious quantum tunneling effect in the QDs.

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

    CERN Document Server

    Gruber, Christian

    2013-01-01

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

  20. Separation of cashew (Anacardium occidentale L.) nut shell liquid with supercritical carbon dioxide.

    Science.gov (United States)

    Smith, R L; Malaluan, R M; Setianto, W B; Inomata, H; Arai, K

    2003-05-01

    Cashew nut shell liquid (CNSL) represents the largest readily available bioresource of alkenyl phenolic compounds. In this work, separation of CNSL from the pericarp of the cashew nut with supercritical carbon dioxide was studied. In the initial extractions with CO(2) at 40-60 degrees C and at pressures from 14.7 to 29.4 MPa, low yields were obtained. However, when the extractions were performed with one or more intermediate depressurization steps, the yield of CNSL increased to as high as 94%. Most of the oil did not separate from the shell during the depressurization step, but was obtained during the subsequent repressurization. The CNSL extract had a clear light brownish pink color and exhibited no evidence of polymerization or degradation. The pressure profile extraction method proposed in this work increases the possible CNSL extraction yields and greatly reduces the amount of CO(2) required for CNSL separation.

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

    Directory of Open Access Journals (Sweden)

    Brajesh Kumar

    2017-01-01

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

  2. 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.

  3. Atom-photon entanglement in the system with competing k-photon and l-photon transitions

    Institute of Scientific and Technical Information of China (English)

    Wu Qin; Fang Mao-Fa; Hu Yao-Hua

    2007-01-01

    We have investigated the evolution of the atomic quantum entropy and the entanglement of atom-photon in the system with competing k-photon and l-photon transitions by means of fully quantum theory, and examined the effects of competing photon numbers (k and l), the relative coupling strength between the atom and the two-mode field(λ/g),and the initial photon number of the field on the atomic quantum entropy and the entanglement of atom-photon.The results show that the multiphoton competing transitions or the large relative coupling strength can lead to the strong entanglement between atoms and photons. The maximal atom-photon entanglement can be prepared via the appropriate selection of system parameters and interaction time.

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

    Energy Technology Data Exchange (ETDEWEB)

    Richter, T.S.

    2007-12-03

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

  5. A pseudo-atomic model for the capsid shell of bacteriophage lambda using chemical cross-linking/mass spectrometry and molecular modeling.

    Science.gov (United States)

    Singh, Pragya; Nakatani, Eri; Goodlett, David R; Catalano, Carlos Enrique

    2013-09-23

    Bacteriophage lambda is one of the most exhaustively studied of the double-stranded DNA viruses. Its assembly pathway is highly conserved among the herpesviruses and many of the bacteriophages, making it an excellent model system. Despite extensive genetic and biophysical characterization of many of the lambda proteins and the assembly pathways in which they are implicated, there is a relative dearth of structural information on many of the most critical proteins involved in lambda assembly and maturation, including that of the lambda major capsid protein. Toward this end, we have utilized a combination of chemical cross-linking/mass spectrometry and computational modeling to construct a pseudo-atomic model of the lambda major capsid protein as a monomer, as well as in the context of the assembled procapsid shell. The approach described here is generalizable and can be used to provide structural models for any biological complex of interest. The procapsid structural model is in good agreement with published biochemical data indicating that procapsid expansion exposes hydrophobic surface area and that this serves to nucleate assembly of capsid decoration protein, gpD. The model further implicates additional molecular interactions that may be critical to the assembly of the capsid shell and for the stabilization of the structure by the gpD decoration protein.

  6. 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.

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

    Science.gov (United States)

    Esposito, Tiziana; Sansone, Francesca; Franceschelli, Silvia; Del Gaudio, Pasquale; Picerno, Patrizia; Aquino, Rita Patrizia; Mencherini, Teresa

    2017-02-13

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

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

    Directory of Open Access Journals (Sweden)

    Tiziana Esposito

    2017-02-01

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

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

    Science.gov (United States)

    Esposito, Tiziana; Sansone, Francesca; Franceschelli, Silvia; Del Gaudio, Pasquale; Picerno, Patrizia; Aquino, Rita Patrizia; Mencherini, Teresa

    2017-01-01

    Hazelnut shells, a by-product of the kernel industry processing, are reported to contain high amount of polyphenols. However, studies on the chemical composition and potential effects on human health are lacking. A methanol hazelnut shells extract was prepared and dried. Our investigation allowed the isolation and characterization of different classes of phenolic compounds, including neolignans, and a diarylheptanoid, which contribute to a high total polyphenol content (193.8 ± 3.6 mg of gallic acid equivalents (GAE)/g of extract). Neolignans, lawsonicin and cedrusin, a cyclic diarylheptanoid, carpinontriol B, and two phenol derivatives, C-veratroylglycol, and β-hydroxypropiovanillone, were the main components of the extract (0.71%–2.93%, w/w). The biological assays suggested that the extract could be useful as a functional ingredient in food technology and pharmaceutical industry showing an in vitro scavenging activity against the radical 1,1-diphenyl-2-picrylhydrazyl radical (DPPH) (EC50 = 31.7 μg/mL with respect to α-tocopherol EC50 = 10.1 μg/mL), and an inhibitory effect on the growth of human cancer cell lines A375, SK-Mel-28 and HeLa (IC50 = 584, 459, and 526 μg/mL, respectively). The expression of cleaved forms of caspase-3 and poly(ADP-ribose) polymerase-1 (PARP-1) suggested that the extract induced apoptosis through caspase-3 activation in both human malignant melanoma (SK-Mel-28) and human cervical cancer (HeLa) cell lines. The cytotoxic activity relies on the presence of the neolignans (balanophonin), and phenol derivatives (gallic acid), showing a pro-apoptotic effect on the tested cell lines, and the neolignan, cedrusin, with a cytotoxic effect on A375 and HeLa cells. PMID:28208804

  10. Atomic electronic states: the L-S and j-j coupling schemes and their correlation

    CERN Document Server

    Li, Wai-Kee

    2014-01-01

    In the first part of this paper, we review the assumption of the L-S coupling scheme, with which we derive the electronic states arising from a given atomic configuration. Then, with the aid of the spectral data of Group 15 elements, it becomes clear that the assumption of the L-S coupling scheme is no longer valid as we go farther and farther down the Periodic Table. In the second part, we introduce the j-j coupling scheme, which is seldom covered in standard inorganic chemistry texts, and contrast the assumptions of the two schemes. Next, we use two worked examples to demonstrate the derivation of electronic states with the j-j coupling scheme. Finally, the correlation between the states derived by L-S and j-j schemes is pictorially shown. It is believed a student, by also studying j-j coupling schemes (by no means a difficult task) along with the L-S scheme, will gain a better understanding of the concept of atomic electronic states.

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

    DEFF Research Database (Denmark)

    Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu

    2016-01-01

    -edges in the energy band is a major issue, as it complicates the function of the effective area. In order to model the area, the reflectivity measurements in the 11.2-15.4 keV band with the energy pitch of 0.4-0.7 eV were made in the synchrotron beamline Spring-8 BL01B1. We obtained atomic scattering factors f1 and f......The atomic scattering factor in the energy range of 11.2-15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT) is reported. The large effective area of the SXT makes use of photon spectra above 10 keV viable, unlike most other X-ray satellites with total-reflection mirror optics. Presence of gold's L......2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the L-I, II, and III transitions are identified, of which the depths are found to be roughly 60% shallower than those expected from the Henke's atomic scattering factor....

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

  13. The contribution of off-shell gluons to the longitudinal structure function F{sub L}

    Energy Technology Data Exchange (ETDEWEB)

    Kotikov, A.V. [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Lipatov, A.V. [Department of Physics, Lomonosov Moscow State University, 119899 Moscow (Russian Federation); Zotov, N.P. [Skobeltsyn Institute of Nuclear Physics, Lomonosov Moscow State University, 119992 Moscow (Russian Federation)

    2003-03-01

    We present the results for the structure function F{sub L} for a gluon target having a non-zero transverse momentum square at order {alpha}{sub s}. The results of a double convolution (with respect to the Bjorken variable x and the transverse momentum) of the perturbative part and the unintegrated gluon densities are compared with recent experimental data for F{sub L} at low x values and with the predictions of other approaches. (orig.)

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

    CERN Document Server

    Bonzi, E V

    2006-01-01

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

  15. Dirac-Fock calculations of K -, L -, and M -shell fluorescence and Coster-Kronig yields for Ne, Ar, Kr, Xe, Rn, and Uuo

    Science.gov (United States)

    Sampaio, J. M.; Madeira, T. I.; Guerra, M.; Parente, F.; Santos, J. P.; Indelicato, P.; Marques, J. P.

    2015-05-01

    In this work, we calculated the fluorescence and Coster-Kronig yields for the K shell and the L and M subshells of Ne, Ar, Kr, Xe, Rn, and Uuo (Z =118 ), using a Dirac-Fock model which provides a better description of the electron-electron interaction than previous approaches, and is suitable to handle superheavy elements. The results are compared with available data from other authors. In what concerns Ne, Ar, Kr, Xe, and Rn K shells, the obtained results are in very good agreement with the adopted values of Krause [25] and with experiment when available. For the L subshells, our results are in line with existing ones. For the M subshells and for all shells of Uuo there are no previous experimental and theoretical results to compare to our calculations.

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

    NARCIS (Netherlands)

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

    2007-01-01

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

  17. Long-range interactions between an atom in its ground S state and an open-shell linear molecule

    CERN Document Server

    Skomorowski, Wojciech

    2010-01-01

    Theory of long-range interactions between an atom in its ground S state and a linear molecule in a degenerate state with a non-zero projection of the electronic orbital angular momentum is presented. It is shown how the long-range coefficients can be related to the first and second-order molecular properties. The expressions for the long-range coefficients are written in terms of all components of the static and dynamic multipole polarizability tensor, including the nonadiagonal terms connecting states with the opposite projection of the electronic orbital angular momentum. It is also shown that for the interactions of molecules in excited states that are connected to the ground state by multipolar transition moments additional terms in the long-range induction energy appear. All these theoretical developments are illustrated with the numerical results for systems of interest for the sympathetic cooling experiments: interactions of the ground state Rb($^2$S) atom with CO($^3\\Pi$), OH($^2\\Pi$), NH($^1\\Delta$),...

  18. 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

  19. [Determination of inorganic elements in different parts of Sonchus oleraceus L by flame atomic absorption spectrometry].

    Science.gov (United States)

    Wang, Nai-Xing; Cui, Xue-Gui; Du, Ai-Qin; Mao, Hong-Zhi

    2007-06-01

    Flame atomic absorption spectrometry with air-acetylene flame was used for the determination of inorganic metal elements in different parts ( flower, leaf, stem and root) of Sonchus oleraceus L. The contents of Ca, Mg, K, Na, Fe, Mn, Cu, Zn, Cr, Co, Ni, Pb and Cd in the flower, leaf, stem and root of Sonchus oleraceus L were compared. The order from high to low of the additive weight (microg x g(-1)) for the 13 kinds of metal elements is as follows: leaf (77 213.72) > flower (47 927.15) > stem(42 280.99) > root (28 131.18). From the experimental results it was found that there were considerable differences in the contents of the metal elements in different parts, and there were richer contents of Fe, Zn, Mn and Cu in root and flower, which are necessary to human health, than in other parts.

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

    Science.gov (United States)

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

    2015-06-01

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

  1. Improved characteristics of near-band-edge and deep-level emissions from ZnO nanorod arrays by atomic-layer-deposited Al2O3 and ZnO shell layers

    Directory of Open Access Journals (Sweden)

    He Jr-Hau

    2011-01-01

    Full Text Available Abstract We report on the characteristics of near-band-edge (NBE emission and deep-level band from ZnO/Al2O3 and ZnO/ZnO core-shell nanorod arrays (NRAs. Vertically aligned ZnO NRAs were synthesized by an aqueous chemical method, and the Al2O3 and ZnO shell layers were prepared by the highly conformal atomic layer deposition technique. Photoluminescence measurements revealed that the deep-level band was suppressed and the NBE emission was significantly enhanced after the deposition of Al2O3 and ZnO shells, which are attributed to the decrease in oxygen interstitials at the surface and the reduction in surface band bending of ZnO core, respectively. The shift of deep-level emissions from the ZnO/ZnO core-shell NRAs was observed for the first time. Owing to the presence of the ZnO shell layer, the yellow band associated with the oxygen interstitials inside the ZnO core would be prevailed over by the green luminescence, which originates from the recombination of the electrons in the conduction band with the holes trapped by the oxygen vacancies in the ZnO shell. PACS 68.65.Ac; 71.35.-y; 78.45.+h; 78.55.-m; 78.55.Et; 78.67.Hc; 81.16.Be; 85.60.Jb.

  2. X-ray study of M -shell ionization of heavy atoms by 8.0-35.2-MeV Oq+ ions: The role of the multiple-ionization effects

    Science.gov (United States)

    Czarnota, M.; Banaś, D.; Braziewicz, J.; Semaniak, J.; Pajek, M.; Jaskóła, M.; Korman, A.; Trautmann, D.; Kretschmer, W.; Lapicki, G.; Mukoyama, T.

    2009-03-01

    The M -shell ionization in high- Z atoms by Oq+ ions have been studied systematically in the energy range of 8.0-35.2 MeV in order to verify the available theoretical approaches describing the M -shell ionization by charged particles in asymmetric collisions. The measured M x-ray spectra were analyzed taking into account the effects of x-ray line shifting and broadening caused by the multiple ionization in the M and N shells. The M -subshell ionization cross sections, derived by using the M -shell decay rates modified for the multiple ionization effects, have been compared with the theoretical predictions based on the plane-wave Born approximation (PWBA), the semiclassical approximation (SCA), and the binary-encounter approximation (BEA). In the PWBA approach two theoretical calculations were considered: the energy-loss Coulomb deflection perturbed stationary state relativistic (ECPSSR) theory and its recent modification called the energy-loss Coulomb deflection united and separated atoms relativistic (ECUSAR) theory, which corrects a description of the electron binding effect to account for the united and separated atoms (USA) electron binding energy limits. In the SCA calculations performed with relativistic hydrogenic wave functions the binding effect was included in the limiting cases of separated-atom (SA) and united-atom (UA) limits. The measured M -subshell ionization cross sections are the best reproduced by the SCA-UA calculations, with exception of the M2,3(3p) -subshell cross sections which are strongly enhanced and cannot be reproduced by the discussed calculations.

  3. Removal of Pb(II), Cd(II) and Co(II) from aqueous solution using Garcinia mangostana L. fruit shell.

    Science.gov (United States)

    Zein, R; Suhaili, R; Earnestly, F; Indrawati; Munaf, E

    2010-09-15

    This study examines the possibility of using mangosteen shell to remove low concentrations of lead, zinc and cobalt (less than 100 mg/l) from aqueous solution. It was found that the biosorption capacities were significantly affected by solution pH, contact time and initial metal ions concentration. Un-extracted and extracted dyes of mangosteen shell were investigated. Moreover higher pH up to 5 favoring higher metal ion removal. Kinetic and isotherm experiments were carried out at the optimal pH: at pH 5.0 for lead and zinc, and at pH 4.0 for cobalt. The metal removal rates were rapid, with 90% of the total adsorption taking place within 60 min. Mangosteen shell showed the highest potential for the removal of toxic metals in aqueous solution.

  4. K{sub β} to K{sub α} X-ray intensity ratios and K to L shell vacancy transfer probabilities of Co, Ni, Cu, and Zn

    Energy Technology Data Exchange (ETDEWEB)

    Anand, L. F. M.; Gudennavar, S. B., E-mail: shivappa.b.gudennavar@christuniversity.in; Bubbly, S. G. [Christ University Bengaluru, Department of Physics (India); Kerur, B. R. [Gulbarga University Kalaburgi, Department of Physics (India)

    2015-12-15

    The K to L shell total vacancy transfer probabilities of low Z elements Co, Ni, Cu, and Zn are estimated by measuring the K{sub β} to K{sub α} intensity ratio adopting the 2π-geometry. The target elements were excited by 32.86 keV barium K-shell X-rays from a weak {sup 137}Cs γ-ray source. The emitted K-shell X-rays were detected using a low energy HPGe X-ray detector coupled to a 16 k MCA. The measured intensity ratios and the total vacancy transfer probabilities are compared with theoretical results and others’ work, establishing a good agreement.

  5. Synthesis of well-defined structurally silica-nonlinear polymer core-shell nanoparticles via the surface-initiated atom transfer radical polymerization

    Science.gov (United States)

    Chen, Jiucun; Hu, Min; Zhu, Wendong; Li, Yaping

    2011-05-01

    We report on the synthesis of the well-defined structurally silica-nonlinear polymer core-shell nanoparticles via the surface-initiated atom transfer radical polymerization. At first, 3-(2-bromoisobutyramido)propyl(triethoxy)-silane (the ATRP initiator) was prepared by the reaction of 3-aminopropyltriethoxysilane with 2-bromoisobutyryl bromide. The ATRP initiator was covalently attached onto the nanosilica surface. The subsequent ATRP of HEMA from the initiator-attached SiO 2 surface was carried out in order to afforded functional nanoparticles bearing a hydroxyl moiety at the chain end, SiO 2-g-PHEMA-Br. The esterification reaction of pendent hydroxyl moieties of PHEMA segment with 2-bromoisobutyryl bromide afforded the SiO 2-based multifunctional initiator, SiO 2-g-PHEMA(-Br)-Br, bearing one bromine moiety on each monomer repeating unit within the PHEMA segment. Finally, the synthesis of SiO 2-g-PHEMA(-g-PSt)-b-PSt was accomplished by the ATRP of St monomer using SiO 2-g-PHEMA(-Br)-Br as multifunctional initiator. These organic/inorganic hybrid materials have been extensively characterized by FT-IR, XPS, TG, and TEM.

  6. Relativistic calculations of K-, L- and M-shell X-ray production cross-sections by electron impact for Ne, Ar, Kr, Xe, Rn and Uuo

    Science.gov (United States)

    Sampaio, J. M.; Madeira, T. I.; Guerra, M.; Parente, F.; Indelicato, P.; Santos, J. P.; Marques, J. P.

    2016-10-01

    In this work, we derive X-ray production cross-sections from electron-impact ionization cross-sections for Ne, Ar, Kr, Xe, Rn, and Uuo, calculated in the modified relativistic binary-encounter-Bethe model, and using as the only input parameter the binding energies obtained in the Dirac-Fock approach. Radiative and radiationless transition probabilities necessary to compute the inter- and intra-shell atomic yields were calculated in the same approach. Shell electron-impact ionization cross-sections and X-ray production cross-sections are compared with the corresponding cross-sections retrieved from the National Institute of Standards and Technology Reference Database and available experimental data.

  7. Characterization of atomized extract of Opuntia ficusindica (L. Mill. and assessment of its pharmaceutical potential

    Directory of Open Access Journals (Sweden)

    Cinthya Maria Pereira Souza

    2014-04-01

    Full Text Available Given the many traditional uses of Opuntia ficus-indica (L. Mill. and the widespread employment of dry extracts in herbal medicine and phytocosmetics, the aim of this study is to characterize an atomized extract of O. ficus-indica cladodes, as well as to analyze its phytochemical composition and assay the total phenol content. In addition, the antioxidant, antimicrobial and photoprotective activities of the extract and its capacity to inhibit the enzyme tyrosinase were assessed, with a view to its pharmaceutical use. The physicochemical characterization was performed by pharmacopoeial tests, thermal analysis and infrared spectroscopy. Phytochemicals were analyzed by thin layer chromatography and total phenols by spectroscopy in the visible region. Antioxidant activity was detected by the method of free radical (DPPH● scavenging and antimicrobial activity by the agar diffusion method, while inhibition of tyrosinase was estimated by the diphenolase activity assay and photoprotective activity by a spectrophotometric method. The pharmacopeial tests, IR spectroscopy and thermal analysis enabled the atomized extract to be characterized. Concerning the potential for pharmaceutical use, it was found that, under the study conditions, the extract did not show any antioxidant, antimicrobial or photoprotective activity. However, it did show a modest tyrosinase inhibitory capacity. The originality of the proposed research on O. ficus-indica in the pharmaceutical field should be emphasized, as it opens new prospects for the study of a species that is so abundant and adapted to Brazilian semi-arid regions.

  8. Preparation of core-shell poly(L-lactic) acid-nanocrystalline apatite hollow microspheres for bone repairing applications.

    Science.gov (United States)

    Iafisco, Michele; Palazzo, Barbara; Ito, Tomoko; Otsuka, Makoto; Senna, Mamoru; Delgado-Lopez, Josè Manuel; Gomez-Morales, Jaime; Tampieri, Anna; Prat, Maria; Rimondini, Lia

    2012-11-01

    In this paper, hybrid inorganic-organic core-shell hollow microspheres, made of poly(L-lactic acid) (PLLA) and biomimetic nano apatites (HA), were prepared from biodegradable and biocompatible substances, suitable for bone tissue applications. Preparation is started from Pickering emulsification, i.e., solid particle-stabilized emulsions in the absence of any molecular surfactant, where solid particles adsorbed to an oil-water interface. Stable oil-in-water emulsions were produced using biomimetic 20 nm sized HA nanocrystals as particulate emulsifier and a dichloromethane (CH(2)Cl(2)) solution of PLLA as oil phase. Hybrid hollow PLLA microspheres at three different HA nanocrystals surface coverage, ranging from 10 to 50 μm, were produced. The resulting materials were completely characterized with spectroscopic, calorimetric and microscopic techniques and the cytocompatibility was established by indirect contact tests with both fibroblasts and osteoblasts and direct contact with these latter. They displayed a high level of cytocompatibility and thus represent promising materials for drug delivery systems, cell carriers and scaffolds for regeneration of bone useful in the treatment of orthopaedic, maxillofacial and dental fields.

  9. Measurements of L-shell X-ray production cross-sections of Ag and Sb by low-energy electron impact

    Science.gov (United States)

    Zhao, J. L.; An, Z.; Zhu, J. J.; Tan, W. J.; Liu, M. T.

    2016-05-01

    The total L-shell X-ray production cross-sections of Ag and Sb elements were measured by detecting the characteristic X-rays induced by the electron impact in the energy range of 6-28 keV. In this experiment, the thin films with thick aluminum substrates were used as the targets, and the experimental setup was improved. The influence of multiple scattering of electrons penetrating the targets films, electrons reflected from the thick aluminum substrates and bremsstrahlung photons produced when incident electrons impacted the targets were corrected by using the Monte Carlo method. The experimental results determined in this paper were compared with some theoretical models and other available experimental data in the literature. It was shown that the L-shell X-ray production cross-sections of Ag and Sb elements measured in this paper were in good agreement with the theoretical predictions within the uncertainties.

  10. 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.

  11. HPAM: Hirshfeld partitioned atomic multipoles

    Science.gov (United States)

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

    2012-02-01

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

  12. Multiphoton L-shell ionization of H2S using intense x-ray pulses from a free-electron laser

    Science.gov (United States)

    Murphy, B. F.; Fang, L.; Chen, M.-H.; Bozek, J. D.; Kukk, E.; Kanter, E. P.; Messerschmidt, M.; Osipov, T.; Berrah, N.

    2012-11-01

    Sequential multiphoton L-shell ionization of hydrogen sulfide exposed to intense femtosecond pulses of 1.25-keV x rays has been observed via photoelectron, Auger electron, and ion time-of-flight spectroscopies. Monte Carlo simulations based on relativistic Dirac-Hartree-Slater calculations of Auger decay rates in sulfur with single and double L-shell vacancies accurately model the observed spectra. While single-vacancy-only calculations are surprisingly accurate even at the high x-ray intensity used in the experiment, calculations including double-vacancy states improve on yield estimates of highly charged sulfur ions. In the most intense part of the x-ray focal volume, an average molecule absorbs more than five photons, producing multiple L-shell vacancies in 17% of photoionization events according to simulation. For 280-fs pulse duration and ˜1017 W cm-2 focal intensity, the yield of S13+ is ˜1% of the S3+ yield, in good agreement with simulations. An overabundance of S12+, and S14+ observed in the experimental ion spectra is not predicted by either single-vacancy or double-vacancy calculations.

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

    Science.gov (United States)

    Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

    2017-05-01

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

  14. Spectral fine structure of the atomic ground states based on full relativistic theory

    Institute of Scientific and Technical Information of China (English)

    Zhenghe Zhu; Yongjian Tang

    2011-01-01

    @@ We focus on the full relativistic quantum mechanical calculations from boron to fluorine atoms with electronic configuration of 1s22s22pn (n = 1, 2, 3, 4, and 5), where 1s22s2 is the closed shell and 2pn is the open shell. Their active electrons in the open shell occupy all the six spinors as far as possible.Therefore, we suggest a new rule called "maximum probability" for the full symmetry group relativistic theory. Furthermore, the spectral fine structure of the atomic ground states based on the full relativistic theory and their intervals of L-S splitting are all reasonable. It is impossible to calculate the L-S splitting through non-relativistic quantum mechanics. The relativistic effect of atomic mass is increased significantly by about 12 folds from boron atom to fluorine atom.%We focus on the full relativistic quantum mechanical calculations from boron to fluorine atoms with electronic configuration of 1s22s22pn (n = 1, 2, 3, 4, and 5), where 1s22s2 is the closed shell and 2pn is the open shell. Their active electrons in the open shell occupy all the six spinors as far as possible.Therefore, we suggest a new rule called "maximum probability" for the full symmetry group relativistic theory. Furthermore, the spectral fine structure of the atomic ground states based on the full relativistic theory and their intervals of L-S splitting are all reasonable. It is impossible to calculate the L-S splitting through non-relativistic quantum mechanics. The relativistic effect of atomic mass is increased significantly by about 12 folds from boron atom to fluorine atom.

  15. Diffusivities and atomic mobilities in disordered fcc and ordered L1{sub 2} Ni–Al–W alloys

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Chong [State Key Lab of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Zhang, Lijun, E-mail: xueyue168@gmail.com [State Key Lab of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Xin, Jinghua; Wang, Yaru [State Key Lab of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Du, Yong, E-mail: yong-du@csu.edu.cn [State Key Lab of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Luo, Fenghua [State Key Lab of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Zhang, Zhongjian; Xu, Tao; Long, Jianzhan [State Key Lab of Cemented Carbides, Zhuzhou, Hunan 412000 (China)

    2015-10-05

    Highlights: • The atomic mobilities for fcc Al–W, fcc Ni–W, fcc Ni–Al–W and L1{sub 2} Ni–Al–W alloys were critically assessed. • The impurity diffusivity of W in fcc-Al was obtained via first-principles calculations. • The calculated results agree well with the diffusivities available in the literature. • Two fcc/L1{sub 2}-type diffusion couples were prepared and the concentration-distance profiles were measured. • The model-predicted concentration profiles agree well with the experimental data in the literature and in the present work. - Abstract: Based on various experimentally measured diffusivities available in the literature together with the reported thermodynamic parameters, the atomic mobilities for disordered fcc and ordered L1{sub 2} Ni–Al–W alloys were assessed on the basis of a recently developed phenomenological model incorporated in the DICTRA software. In order to provide the missing impurity diffusion coefficients of W in fcc-Al, first-principles calculations were utilized in the present work. Comprehensive comparisons between the calculated and experimental diffusion coefficients show that all the experimental data can be well reproduced by the atomic mobilities obtained in the present work. In order to further verify the reliability of the presently obtained atomic mobilities, two fcc/L1{sub 2}-type diffusion couples (i.e., Ni–5 at.% Al–5 at.% W/Ni–20 at.% Al–4 at.% W and Ni/Ni–22 at.% Al–2 at.% W) were prepared and the concentration-distance profiles after annealing at 1323 K for 86.4 ks were measured. The excellent agreement between the model-predicted concentration-distance profiles and the experimental data indicates that the presently obtained atomic mobilities in fcc/L1{sub 2} Ni–Al–W alloys are reliable.

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

    CERN Document Server

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

    2015-01-01

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

  17. Richard L. Greene Dissertation Award in Experimental Condensed Matter or Materials Physics Talk: Towards single atom magnets

    Science.gov (United States)

    Baumann, Susanne

    Magnetic anisotropy is a fundamental property of magnetic materials that governs the stability and directionality of their magnetization. At the atomic level, magnetic anisotropy originates from anisotropy in the orbital angular momentum (L) and the spin-orbit coupling that connects the spin moment of a magnetic atom to the spatial symmetry of its ligand field environment. Generally, the ligand field, that is necessary for the anisotropy, also quenches the orbital moment and reduces the total magnetic moment of the atom to its spin component. However, careful design of the coordination geometry of a single atom can restore the orbital moment while inducing uniaxial anisotropy, as we present here for single atoms deposited on top of a thin MgO film. Scanning tunneling spectroscopy and x-ray absorption spectroscopy measurements show a large magnetic anisotropy of 19 meV for iron and 58 meV for cobalt, as well as relaxation times of many milliseconds. These results offer a strategy, based on symmetry arguments and careful tailoring of the interaction with the environment, for the rational design of nanoscopic permanent magnets and single atom magnets.

  18. Transferability and reproducibility in electron-density studies--bond-topological and atomic properties of tripeptides of the type L-alanyl-X-L-alanine.

    Science.gov (United States)

    Grabowsky, Simon; Kalinowski, Roman; Weber, Manuela; Förster, Diana; Paulmann, Carsten; Luger, Peter

    2009-08-01

    In the last decade three different data bank approaches have been developed that are intended to make electron-density examinations of large biologically important molecules possible. They rely on Bader's concept of transferability of submolecular fragments with retention of their electronic properties. Therefore, elaborate studies on the quantification of transferability in experiment and theory are still very important. Tripeptides of the type L-alanyl-X-L-alanine (X being any of the 20 naturally encoded amino acids) serve as a model case between amino acids and proteins. The two experimental electron-density determinations (L-alanyl-L-histidinyl-L-alanine and L-alanyl-L-phenylalanyl-L-alanine, highly resolved synchrotron X-ray diffraction data sets) performed in this study and theoretical calculations on all 20 different L-alanyl-X-L-alanine molecules contribute to a better estimation of transferability in the peptide case. As a measure of reproducibility and transferability, standard deviations from averaging over bond-topological and atomic properties of atoms or bonds that are considered equal in their chemical environments were calculated. This way, transferability and reproducibility indices were introduced. It can be shown that experimental transferability indices generally slightly exceed experimental reproducibility indices and that these larger deviations can be attributed to chemical effects such as changes in the geometry (bond lengths and angles), the polarization pattern and the neighboring sphere due to crystal packing. These effects can partly be separated from each other and quantified with the help of gas-phase calculations at optimized and experimental geometries. Thus, the degree of transferability can be quantified in very narrow limits taking into account experimental errors and chemical effects.

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

    Institute of Scientific and Technical Information of China (English)

    Jun-jie GAO; Ye-bo QIN; Tao ZHOU; Dong-dong CAO; Ping XU; Danielle HOCHSTETTER; Yue-fei WANG

    2013-01-01

    Tea (Camellia sinensis L.) seed shells,the main byproduct of the manufacture of tea seed oil,were used as precursors for the preparation of tea activated carbon (TAC) in the present study.A high yield (44.1%) of TAC was obtained from tea seed shells via a one-step chemical method using ZnCI2 as an agent.The Brunauer-Emmett-Teller (BET) surface area and the total pore volumes of the obtained TAC were found to be 1 530.67 mg2/g and 0.782 6 cm3/g,respectively.The equilibrium adsorption results were complied with Langmuir isotherm model and its maximum monolayer adsorption capacity was 324.7 mg/g for methylene blue.Adsorption kinetics studies indicated that the pseudosecond-order model yielded the best fit for the kinetic data.An intraparticle diffusion model suggested that the intraparticle diffusion was not the only rate-controlling step.Thermodynamics studies revealed the spontaneous and exothermic nature of the sorption process.These results indicate that tea seed shells could be utilized as a renewable resource to develop activated carbon which is a potential adsorbent for methylene blue.

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

    Science.gov (United States)

    Dubreuil, B.; Harnafi, M.

    1989-07-01

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

  1. Formation of hollow atoms above a surface

    Science.gov (United States)

    Briand, Jean Pierre; Phaneuf, Ronald; Terracol, Stephane; Xie, Zuqi

    2012-06-01

    Slow highly stripped ions approaching or penetrating surfaces are known to capture electrons into outer shells of the ions, leaving the innermost shells empty, and forming hollow atoms. Electron capture occurs above and below the surfaces. The existence of hollow atoms below surfaces e.g. Ar atoms whose K and L shells are empty, with all electrons lying in the M and N shells, was demonstrated in 1990 [1]. At nm above surfaces, the excited ions may not have enough time to decay before hitting the surfaces, and the formation of hollow atoms above surfaces has even been questioned [2]. To observe it, one must increase the time above the surface by decelerating the ions. We have for the first time decelerated O^7+ ions to energies as low as 1 eV/q, below the minimum energy gained by the ions due to the acceleration by their image charge. As expected, no ion backscattering (trampoline effect) above dielectric (Ge) was observed and at the lowest ion kinetic energies, most of the observed x-rays were found to be emitted by the ions after surface contact. [4pt] [1] J. P. Briand et al., Phys.Rev.Lett. 65(1990)159.[0pt] [2] J.P. Briand, AIP Conference Proceedings 215 (1990) 513.

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

    CERN Document Server

    Gray, Theodore

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-07-01

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

  4. HT-L与Shell及Texaco粉煤气化技术的比较%Technological Comparison of HT-L with Shell and Texaco Pulverized Coal Gasification Processes

    Institute of Scientific and Technical Information of China (English)

    吴胜军

    2011-01-01

    介绍了HT-L粉煤气化技术的工艺特点,并从比氧耗、有效气成分、煤气化效率、能耗等方面与Shell 及Texaco粉煤气化技术进行了分析比较.结果表明:HT-L粉煤气化技术具有高效节能、煤种适用范围广、气化效率高、能耗低、建设和运行成本低、工艺成熟可靠并具有自主知识产权的优点,具有广阔的发展前景.%Process features are described of the HT-L pulverized coal gasification technology, and an analytical comparison is done with the Shell and Texaco pulverized coal gasification technology in terms of specific oxygen consumption, active gas constituent, coal gasification efficiency, and energy consumption. The results show that the HT-L technology has the advantages of highly efficient energy saving, wide scope of application to various coal types, high gasification efficiency, low energy consumption, low construction and operation cost, mature and reliable technology, and possession of independent intellectual property, and so it brings about broad prospects for development.

  5. Selective isolation of the electron or hole in photocatalysis: ZnO-TiO2 and TiO2-ZnO core-shell structured heterojunction nanofibers via electrospinning and atomic layer deposition

    Science.gov (United States)

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

    2014-05-01

    Heterojunctions are a well-studied material combination in photocatalysis studies, the majority of which aim to improve the efficacy of the catalysts. Developing novel catalysts begs the question of which photo-generated charge carrier is more efficient in the process of catalysis and the associated mechanism. To address this issue we have fabricated core-shell heterojunction (CSHJ) nanofibers from ZnO and TiO2 in two combinations where only the `shell' part of the heterojunction is exposed to the environment to participate in the photocatalysis. Core and shell structures were fabricated via electrospinning and atomic layer deposition, respectively which were then subjected to calcination. These CSHJs were characterized and studied for photocatalytic activity (PCA). These two combinations expose electrons or holes selectively to the environment. Under suitable illumination of the ZnO-TiO2 CSHJ, e/h pairs are created mainly in TiO2 and the electrons take part in catalysis (i.e. reduce the organic dye) at the conduction band or oxygen vacancy sites of the `shell', while holes migrate to the core of the structure. Conversely, holes take part in catalysis and electrons diffuse to the core in the case of a TiO2-ZnO CSHJ. The results further revealed that the TiO2-ZnO CSHJ shows ~1.6 times faster PCA when compared to the ZnO-TiO2 CSHJ because of efficient hole capture by oxygen vacancies, and the lower mobility of holes.Heterojunctions are a well-studied material combination in photocatalysis studies, the majority of which aim to improve the efficacy of the catalysts. Developing novel catalysts begs the question of which photo-generated charge carrier is more efficient in the process of catalysis and the associated mechanism. To address this issue we have fabricated core-shell heterojunction (CSHJ) nanofibers from ZnO and TiO2 in two combinations where only the `shell' part of the heterojunction is exposed to the environment to participate in the photocatalysis. Core and

  6. Selective isolation of the electron or hole in photocatalysis: ZnO-TiO2 and TiO2-ZnO core-shell structured heterojunction nanofibers via electrospinning and atomic layer deposition.

    Science.gov (United States)

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

    2014-06-07

    Heterojunctions are a well-studied material combination in photocatalysis studies, the majority of which aim to improve the efficacy of the catalysts. Developing novel catalysts begs the question of which photo-generated charge carrier is more efficient in the process of catalysis and the associated mechanism. To address this issue we have fabricated core-shell heterojunction (CSHJ) nanofibers from ZnO and TiO2 in two combinations where only the 'shell' part of the heterojunction is exposed to the environment to participate in the photocatalysis. Core and shell structures were fabricated via electrospinning and atomic layer deposition, respectively which were then subjected to calcination. These CSHJs were characterized and studied for photocatalytic activity (PCA). These two combinations expose electrons or holes selectively to the environment. Under suitable illumination of the ZnO-TiO2 CSHJ, e/h pairs are created mainly in TiO2 and the electrons take part in catalysis (i.e. reduce the organic dye) at the conduction band or oxygen vacancy sites of the 'shell', while holes migrate to the core of the structure. Conversely, holes take part in catalysis and electrons diffuse to the core in the case of a TiO2-ZnO CSHJ. The results further revealed that the TiO2-ZnO CSHJ shows ∼1.6 times faster PCA when compared to the ZnO-TiO2 CSHJ because of efficient hole capture by oxygen vacancies, and the lower mobility of holes.

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

    CERN Document Server

    Klein, Etienne

    2016-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-11-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

  10. An Evolutionary Strategy for All-Atom Folding of the 60-Amino-Acid Bacterial Ribosomal Protein L20

    Science.gov (United States)

    Schug, A.; Wenzel, W.

    2006-01-01

    We have investigated an evolutionary algorithm for de novo all-atom folding of the bacterial ribosomal protein L20. We report results of two simulations that converge to near-native conformations of this 60-amino-acid, four-helix protein. We observe a steady increase of “native content” in both simulated ensembles and a large number of near-native conformations in their final populations. We argue that these structures represent a significant fraction of the low-energy metastable conformations, which characterize the folding funnel of this protein. These data validate our all-atom free-energy force field PFF01 for tertiary structure prediction of a previously inaccessible structural family of proteins. We also compare folding simulations of the evolutionary algorithm with the basin-hopping technique for the Trp-cage protein. We find that the evolutionary algorithm generates a dynamic memory in the simulated population, which leads to faster overall convergence. PMID:16565067

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

    Science.gov (United States)

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

    2012-10-01

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

  12. Comparison of chromium determination in capsule shells by Zeeman flame and graphite furnace atomic absorption spectrophotometry%塞曼火焰原子吸收与石墨炉原子吸收法测定明胶空心胶囊壳中铬的方法比较

    Institute of Scientific and Technical Information of China (English)

    安代志; 王莉莉; 岳丽君; 戚红卷; 刘雪林

    2012-01-01

    Objective; To investigate effects of Zeeman flame atomic absorption spectrophotometry ( AAS) and graphite furnace AAS on the determination of chromium in capsule shells. Methods; Microwave digestion was adopted to digest the capsule shells. Zeeman effect was used in the background correction. The slit width was set at 1. 3 tun, lamp current 7. 5 mA, and the content of chromium was determined at a wavelength of 359. 3 nm by Zeeman flame AAS and graphite furnace AAS respectively. Results; For the Zeeman flame AAS method, the calibration curve was linear in the range of 0 - 1. 0 μg · mL-1 (r =0. 9998) ,the detection limit was 5. 26 ng · mL-1 ,RSD was 0. 68% - 1. 0% and the average recovery was 100. 0% - 116. 7%. For the graphite furnace AAS method,the calibration curve was linear in the range of 0 - 20 ng · mL -1 ( r = 0. 9999 ) , the detection limit was 0. 26 ng · mL -1, RSD was 1. 7% - 4. 9% and the average recovery was 98. 2% - 105. 6% . Conclusion: The Zeeman flame AAS method is simple, fast, and suitable for the preliminary determination of chromium in capsule shells in emergent cases ; the graphite furnace AAS method is sensitive, accurate, and suitable for the determination of chromium in capsule shells in any case.%目的:研究塞曼效应背景校正的火焰和石墨炉原子吸收法测定胶囊中铬的影响.方法:采用微波消解仪对胶囊壳样品进行消解,在波长359.3 nm下,灯电流7.5 mA;狭缝宽1.3 nm,塞曼背景校正,分别采用塞曼火焰原子吸收和石墨炉原子吸收法进行测定.结果:火焰原子吸收法:线性范围0.04~1.0 mg·mL-1;相关系数为0.9998,检测限5.26 ng· mL-1,RSD为0.68%~1.0%,加样回收率为100.0%~116.7%;石墨炉原子吸收法:线性范围为1~20 ng· mL-1,相关系数为0.9998,检测限为0.26 ng·mL-1,RSD为1.7%~4.9%,加样回收率为98.2% ~ 105.6%.结论:塞曼火焰原子吸收法简便、快捷,能满足大量样品筛选及企业内部质控筛选与

  13. Growth Kinetics and Demineralization of Shrimp Shell Using L a c t o b a c i l l u s p l a n t a r u m PTCC 1058 on Various Carbon Sources

    Directory of Open Access Journals (Sweden)

    M. Khorrami

    2011-09-01

    Full Text Available The present study has focused on the effect of various carbon sources such as glucose, sucrose and date syrup as natural carbon sources along with Lactobacillus plantarum microorganism on demineralization (DM of shrimp shell. Logistic and Verhulst Equations were used for the determination of growth kinetic parameters. Maximum demineralization efficiency of 82% was obtained in the media contained date syrup. Data for fermentation with media contained date syrup were suitably fitted with both Verhulst and Logistic Equations. Kinetic data was obtained and Gompertz model for production of lactic acid was used. For the media contained date syrup as carbon source, maximum rate of acid production was obtained.

  14. 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.

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

    Science.gov (United States)

    Gluchshenko, N.; Gorlachev, I.; Ivanov, I.; Kireyev, A.; Kozin, S.; Kurakhmedov, A.; Platov, A.; Zdorovets, M.

    2016-04-01

    The X-ray emissions induced by argon ions for the elements from Mg to Bi were measured on mono-elemental thin films. K-, L- and M-shells X-ray production cross section were obtained for the 40Ar projectile energies of 32, 40, 48, 56 and 64 MeV, considering absorption corrections. For the most of target elements the approach used is based on the calculation of X-ray production cross sections through the cross section of Rutherford backscattering. The efficiency of the X-ray detector was determined using standard calibrated radioactive sources. The experimental results are compared to the predictions of the ECPSSR and PWBA theories calculated with the ISICS code.

  16. Contribution of inner shell Compton ionization to the X-ray fluorescence line intensity

    Science.gov (United States)

    Fernández, Jorge E.; Scot, Viviana; Di Giulio, Eugenio

    2016-10-01

    The Compton effect is a potential ionization mechanism of atoms. It produces vacancies in inner shells that are filled with the same mechanism of atomic relaxation as the one following photo-absorption. This contribution to X-ray fluorescence emission is frequently neglected because the total Compton cross-section is apparently much lower than the photoelectric one at useful X-ray energies. However, a more careful analysis suggests that is necessary to consider single shell cross sections (instead of total cross sections) as a function of energy. In this article these Compton cross sections are computed for the shells K, L1-L3 and M1-M5 in the framework of the impulse approximation. By comparing the Compton and the photoelectric cross-section for each shell it is then possible to determine the extent of the Compton correction to the intensity of the corresponding characteristic lines. It is shown that for the K shell the correction becomes relevant for excitation energies which are too high to be influent in X-ray spectrometry. In contrast, for L and M shells the Compton contribution is relevant for medium-Z elements and medium energies. To illustrate the different grades of relevance of the correction, for each ionized shell, the energies for which the Compton contribution reaches the extent levels of 1, 5, 10, 20, 50 and 100% of the photoelectric one are determined for all the elements with Z = 11-92. For practical applications it is provided a simple formula and fitting coefficients to compute average correction levels for the shells considered.

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

    Science.gov (United States)

    Fernández-García, Yaiza; Reguera, Juan; Busch, Carola; Witte, Gregor; Sánchez-Ramos, Oliberto; Betzel, Christian; Cusack, Stephen; Günther, Stephan; Reindl, Sophia

    2016-06-01

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

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

    Directory of Open Access Journals (Sweden)

    Yaiza Fernández-García

    2016-06-01

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

  19. ANALYSIS OF INTERNAL RESONANCE OF COMPOSITE CIRCULAR CYLINDRICAL SHELLS BASED ON THE MULTIDIMENSIONAL L-P METHOD%基于多元L-P法的复合材料圆柱壳内共振分析

    Institute of Scientific and Technical Information of China (English)

    王延庆; 梁力; 郭星辉; 杨坤

    2012-01-01

    A composite circular cylindrical shell made from different materials is investigated. Based on Donnell's shallow shell theory and classical laminated shell theory, nonlinear vibrating equation is derived, in which the effects of dynamic Young's modulus and geometric large-amplitude are considered. Galerkin method is used to disperse the vibrating equation. The nonlinear vibrating responses of the system with the participation of two neighboring axial modes are solved by applying the multidimensional L-P method. And complex frequency-response curves indicating internal resonance are obtained, showing that the energy is transferred between the two modes which affect each other, and there is 1:1 internal resonance phenomenon in the system. Result of multiple scales method is compared with that of multidimensional L-P method, and the same conclusion is drawn.%以不同材料构成的复合材料圆柱壳作为研究模型,考虑几何非线性,动态弹性模量等因素,根据Dormell’s简化壳理论及经典层合壳理论建立其非线性振动方程。采用Galerkin方法对振动方程进行离散化,应用多元L-P法求解了系统包含两个相邻轴向模态的非线性振动响应,得到了反映复杂内共振的幅频特性曲线,表明能量在两个模态之间相互传递,彼此影响牵制,系统存在1:1内共振现象。最后利用多尺度法与多元L-P法所得结果进行比较,得到了相同的结论。

  20. 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.

  1. 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....

  2. Experimental verification of the individual energy dependencies of the partial L-shell photoionization cross sections of Pd and Mo.

    Science.gov (United States)

    Hönicke, Philipp; Kolbe, Michael; Müller, Matthias; Mantler, Michael; Krämer, Markus; Beckhoff, Burkhard

    2014-10-17

    An experimental method for the verification of the individually different energy dependencies of L(1)-, L(2)-, and L(3)- subshell photoionization cross sections is described. The results obtained for Pd and Mo are well in line with theory regarding both energy dependency and absolute values, and confirm the theoretically calculated cross sections by Scofield from the early 1970 s and, partially, more recent data by Trzhaskovskaya, Nefedov, and Yarzhemsky. The data also demonstrate the questionability of quantitative x-ray spectroscopical results based on the widely used fixed jump ratio approximated cross sections with energy independent ratios. The experiments are carried out by employing the radiometrically calibrated instrumentation of the Physikalisch-Technische Bundesanstalt at the electron storage ring BESSY II in Berlin; the obtained fluorescent intensities are thereby calibrated at an absolute level in reference to the International System of Units. Experimentally determined fixed fluorescence line ratios for each subshell are used for a reliable deconvolution of overlapping fluorescence lines. The relevant fundamental parameters of Mo and Pd are also determined experimentally in order to calculate the subshell photoionization cross sections independently of any database.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1955-07-01

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

  4. Analysis of bulked segregants to identify molecular markers linked with cocoon weight and cocoon shell weight in the silkworm Bombyx mori L

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Two silkworm strains viz, B20 A (high cocoon shell ratio) and C.Nichi (low cocoon shell ratio) were sib mated for 10 generations to determine the homozygosis. Both bulked segregant analysis(BSA) and near isogenic lines (NIL) studies were done to identify the RFLP markers closely linked to cocoon shell parameters. Three hundred and fifty-two random clones were identified as the low copy number sequence and used for identification of Restriction Fragment Length Polymorphic (RFLP) marker linked to cocoon weight and cocoon shell character. In the bulk segregant analysis, DNA from the parents (B20 A, C.Nichi), F1 and F2 progeny of high shell ratio (HSR) and low shell ratio (LSR) were screened for hybridization with the random clones. Polymorphic banding pattern achieved through southern hybridization with different probes indicated the probable correlation of polymorphism with high and low cocoon shell character which are possible landmarks in identifying the putative marker(s) for the cocoon shell character. Out of the 100 probes tried with parents, F1, F2 and their bulks, 10 probes were found to be closely linked to cocoon shell characters.

  5. Analysis of bulked segregants to identify molecular markers linked with cocoon weight and cocoon shell weight in the silkworm Bombyx mori L

    Institute of Scientific and Technical Information of China (English)

    SateeshKumar; 徐孟奎; 陈玉银; Ponnuvel,K.M; Datta,R.K

    2002-01-01

    Two silkworm strains viz, B20 A (high cocoon shell ratio) and C. Nichi (low cocoon shell ratio) were sib mated for 10 generations to determine the homozygoeis. Both bulked segregant analysis (BSA) and near isogenic lines (NIL) studies were done to identify the RFLP markers doaely linked to cocoon shell parameters. Three hundred and fifty-two random clones were identified as the low copy number 'sequeiace and used for identification of Restriction Fragment Length Polyrnorphic (RFLP) marker linked to cocoon weight and cocoon shell character. In the bulk aegregant analysia, DNA from the parents (B20 A, C.Nichi), Fl and F2 progeny of high shell ratio (HSR) and low shell ratio (LSR) were screened for hybridization with the random clones. Polymorphic banding pattern achieved through southern hybridization with different probes indicated the probable correlation of polymorphism with high and low cocoon shell character which are possible landmarks in identifying the putative marker(s) for the cocoon shell character. Out of the 100 probes tried with parents, Fl, F2 and their bulks 10 probes were found to be closely linked to cocoon shell characters.

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

    Directory of Open Access Journals (Sweden)

    Uğur GÖKMEN

    2016-02-01

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

  7. The atomic orbitals of the topological atom.

    Science.gov (United States)

    Ramos-Cordoba, Eloy; Salvador, Pedro; Mayer, István

    2013-06-07

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.

  8. Artificial neural network (ANN) approach for modeling of Pb(II) adsorption from aqueous solution by Antep pistachio (Pistacia Vera L.) shells.

    Science.gov (United States)

    Yetilmezsoy, Kaan; Demirel, Sevgi

    2008-05-30

    A three-layer artificial neural network (ANN) model was developed to predict the efficiency of Pb(II) ions removal from aqueous solution by Antep pistachio (Pistacia Vera L.) shells based on 66 experimental sets obtained in a laboratory batch study. The effect of operational parameters such as adsorbent dosage, initial concentration of Pb(II) ions, initial pH, operating temperature, and contact time were studied to optimise the conditions for maximum removal of Pb(II) ions. On the basis of batch test results, optimal operating conditions were determined to be an initial pH of 5.5, an adsorbent dosage of 1.0 g, an initial Pb(II) concentration of 30 ppm, and a temperature of 30 degrees C. Experimental results showed that a contact time of 45 min was generally sufficient to achieve equilibrium. After backpropagation (BP) training combined with principal component analysis (PCA), the ANN model was able to predict adsorption efficiency with a tangent sigmoid transfer function (tansig) at hidden layer with 11 neurons and a linear transfer function (purelin) at output layer. The Levenberg-Marquardt algorithm (LMA) was found as the best of 11 BP algorithms with a minimum mean squared error (MSE) of 0.000227875. The linear regression between the network outputs and the corresponding targets were proven to be satisfactory with a correlation coefficient of about 0.936 for five model variables used in this study.

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

    Energy Technology Data Exchange (ETDEWEB)

    Champenois, C

    1999-12-01

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

  10. Fabrication of 3D core-shell multiwalled carbon nanotube@RuO2 lithium-ion battery electrodes through a RuO2 atomic layer deposition process.

    Science.gov (United States)

    Gregorczyk, Keith E; Kozen, Alexander C; Chen, Xinyi; Schroeder, Marshall A; Noked, Malachi; Cao, Anyuan; Hu, Liangbing; Rubloff, Gary W

    2015-01-27

    Pushing lithium-ion battery (LIB) technology forward to its fundamental scaling limits requires the ability to create designer heterostructured materials and architectures. Atomic layer deposition (ALD) has recently been applied to advanced nanostructured energy storage devices due to the wide range of available materials, angstrom thickness control, and extreme conformality over high aspect ratio nanostructures. A class of materials referred to as conversion electrodes has recently been proposed as high capacity electrodes. RuO2 is considered an ideal conversion material due to its high combined electronic and ionic conductivity and high gravimetric capacity, and as such is an excellent material to explore the behavior of conversion electrodes at nanoscale thicknesses. We report here a fully characterized atomic layer deposition process for RuO2, electrochemical cycling data for ALD RuO2, and the application of the RuO2 to a composite carbon nanotube electrode scaffold with nucleation-controlled RuO2 growth. A growth rate of 0.4 Å/cycle is found between ∼ 210-240 °C. In a planar configuration, the resulting RuO2 films show high first cycle electrochemical capacities of ∼ 1400 mAh/g, but the capacity rapidly degrades with charge/discharge cycling. We also fabricated core/shell MWCNT/RuO2 heterostructured 3D electrodes, which show a 50× increase in the areal capacity over their planar counterparts, with an areal lithium capacity of 1.6 mAh/cm(2).

  11. 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。

  12. Formation of a quasi-solid structure by intercalated noble gas atoms in pores of Cu(I)-MFU-4l metal-organic framework.

    Science.gov (United States)

    Magdysyuk, Oxana V; Denysenko, Dmytro; Weinrauch, Ingrid; Volkmer, Dirk; Hirscher, Michael; Dinnebier, Robert E

    2015-01-14

    The primary adsorption sites for Kr and Xe within the large-pore metal-organic framework Cu(I)-MFU-4l have been investigated by high-resolution synchrotron powder diffraction, revealing an enormous number of adsorption sites: in total, 10 crystallographically different positions for Xe and 8 positions for Kr were localized, the first five of which are located near metal atoms and the organic linker, and the remaining sites form a second adsorption layer in the pores.

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

    CERN Document Server

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

    1997-01-01

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

  14. NIF Double Shell outer-shell experiments

    Science.gov (United States)

    Merritt, E. C.; Montgomery, D. S.; Kline, J. L.; Daughton, W. S.; Wilson, D. C.; Dodd, E. S.; Renner, D. B.; Cardenas, T.; Batha, S. H.

    2016-10-01

    At the core of the Double Shell concept is the kinetic energy transfer from the outer shell to the inner shell via collision. This collision sets both the implosion shape of the inner shell, from imprinting of the shape of the outer shell, as well as the maximum energy available to compress the DT fuel. Therefore, it is crucial to be able to control the time-dependent shape of the outer shell, such that the outer shell is nominally round at the collision time. We present the experiment results from our sub-scale ( 1 MJ) NIF outer-shell only shape tuning campaign, where we vary shape by changing a turn-on time delay between the same pulse shape on the inner and outer cone beams. This type of shape tuning is unique to this platform and only possible since the Double Shell design uses a single-shock drive (4.5 ns reverse ramp pulse). The outer-shell only targets used a 5.75 mm diameter standard near-vacuum NIF hohlraum with 0.032 mg/cc He gas fill, and a Be capsule with 0.4% uniform Cu dopant, with 242 um thick ablator. We also present results from a third outer-shell only shot used to measure shell trajectory, which is critical in determining the shell impact time. This work conducted under the auspices of the U.S. DOE by LANL under contract DE-AC52-06NA25396.

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

    Energy Technology Data Exchange (ETDEWEB)

    Schellekens, M

    2007-05-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, P

    2006-09-15

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

  17. Exploring the First Steps in Core–Shell Electrocatalyst Preparation: In Situ Characterization of the Underpotential Deposition of Cu on Supported Au Nanoparticles

    Science.gov (United States)

    2011-01-01

    The underpotential deposition (upd) of a Cu shell on a non-Pt nanoparticle core followed by galvanic displacement of the Cu template shell to form core–shell electrocatalyst materials is one means by which the Pt-based mass activity targets required for commercialization of PEM fuel cells may be reached. In situ EXAFS measurements were conducted at both the Au L3 and the Cu K absorption edges during deposition of Cu onto a carbon-supported Au electrocatalyst to study the initial stages of formation of such a core–shell electrocatalyst. The Au L3 EXAFS data obtained in 0.5 mol dm–3 H2SO4 show that the shape of the Au core is potential dependent, from a flattened to a round spherical shape as the Cu upd potential is approached. Following the addition of 2 mmol dm–3 Cu, the structure was also measured as a function of the applied potential. At +0.2 V vs Hg/Hg2SO4, the Cu2+ species was found to be a hydrated octahedron. As the potential was made more negative, single-crystal studies predict an ordered bilayer of sulfate anions and partially discharged Cu ions, followed by a complete/uniform layer of Cu atoms. In contrast, the model obtained by fitting the Au L3 and Cu K EXAFS data corresponds first to partially discharged Cu ions deposited at the defect sites in the outer shell of the Au nanoparticles at −0.42 V, followed by the growth of clusters of Cu atoms at −0.51 V. The absence of a uniform/complete Cu shell, even at the most negative potentials investigated, has implications for the structure, and the activity and/or stability, of the core–shell catalyst that would be subsequently formed following galvanic displacement of the Cu shell. PMID:22032178

  18. Exploring the first steps in core-shell electrocatalyst preparation: in situ characterization of the underpotential deposition of Cu on supported Au nanoparticles.

    Science.gov (United States)

    Price, Stephen W T; Speed, Jonathon D; Kannan, Prabalini; Russell, Andrea E

    2011-12-07

    The underpotential deposition (upd) of a Cu shell on a non-Pt nanoparticle core followed by galvanic displacement of the Cu template shell to form core-shell electrocatalyst materials is one means by which the Pt-based mass activity targets required for commercialization of PEM fuel cells may be reached. In situ EXAFS measurements were conducted at both the Au L(3) and the Cu K absorption edges during deposition of Cu onto a carbon-supported Au electrocatalyst to study the initial stages of formation of such a core-shell electrocatalyst. The Au L(3) EXAFS data obtained in 0.5 mol dm(-3) H(2)SO(4) show that the shape of the Au core is potential dependent, from a flattened to a round spherical shape as the Cu upd potential is approached. Following the addition of 2 mmol dm(-3) Cu, the structure was also measured as a function of the applied potential. At +0.2 V vs Hg/Hg(2)SO(4), the Cu(2+) species was found to be a hydrated octahedron. As the potential was made more negative, single-crystal studies predict an ordered bilayer of sulfate anions and partially discharged Cu ions, followed by a complete/uniform layer of Cu atoms. In contrast, the model obtained by fitting the Au L(3) and Cu K EXAFS data corresponds first to partially discharged Cu ions deposited at the defect sites in the outer shell of the Au nanoparticles at -0.42 V, followed by the growth of clusters of Cu atoms at -0.51 V. The absence of a uniform/complete Cu shell, even at the most negative potentials investigated, has implications for the structure, and the activity and/or stability, of the core-shell catalyst that would be subsequently formed following galvanic displacement of the Cu shell.

  19. ZnSe/ZnS/L-Cys核壳结构量子点光声与表面光伏特性∗%Photoacoustic and surface photovoltaic characteristics of L-Cysteine-capp ed ZnSe quantum dots with a core-shell structure

    Institute of Scientific and Technical Information of China (English)

    林莹莹; 李葵英; 单青松; 尹华; 朱瑞苹

    2016-01-01

    The study on photoelectronic characteristics of ZnSe quantum dots (QDs) is of significance for investigating its microelectronic structure and expanding its potential applications because ZnSe QDs has low biologic toxicity. In the present paper, the surface photovoltaic and photoacoustic technologies, and laser Raman, X-ray diffraction, transmission electron microscopy and Foureier transform infrared spectroscopy spectrum are jointly used to probe the microstructures, the photoacoustic and surface photovoltaic characteristics of L-Cysteine-capped ZnSe QDs prepared by water-phase synthesis at different reflux temperatures. The results indicate that the ZnSe QDs with a mean grain size of about 3 nm has a core-shell ZnSe/ZnS/L-Cys structure, in which the sulfhydryl groups in ligand prefer reacting with Zn atom at the (220) face to form the ZnS shell layer between the core-ZnSe and ligand L-Cys. The results show that the QDs with n-type photovoltaic property display a wide range of surface photovoltaic response and weak photoacoustic signal upon the illumination of near ultraviolet to visible light as compared with others QDs with similar core-shell structures in II-VI group. Especially, the strong SPV response and the weak PA signal in a wavelength region of 350–550 nm imply that the photon energies in the range are almost all used to produce the surface photovoltaic (SPV) phenomenon instead of the thermal lattice vibration caused by non-radiative de-excitation process. This reveals the energy complementary relationship between the photoacoustic and the surface photovoltaic phenomena of the QDs. The PA signals appearing in a short wavelength range of 300–350 nm and the Raman peaks located in a high frequency ranges of 1120 cm−1, 1340 cm−1 and 1455 cm−1 are identified as relating closely to the multi-phonon vibration modes of ligand L-Cys. At low reflux temperature, the photoelectric threshold of the SPV response that relates to the core-ZnSe displays a red

  20. A novel analytical system involving hydride generation and gold-coated W-coil trapping atomic absorption spectrometry for selenium determination at ng l{sup -1} level

    Energy Technology Data Exchange (ETDEWEB)

    Kula, I. [Department of Chemistry, Mugla University, 48000 Mugla (Turkey); Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey); Arslan, Y. [Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey); Department of Chemistry, Atatuerk University, 25240 Erzurum (Turkey); Bakirdere, S. [Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey); Department of Chemistry, Zonguldak Karaelmas University, 67100 Zonguldak (Turkey); Ataman, O.Y. [Department of Chemistry, Middle East Technical University, 06531 Ankara (Turkey)], E-mail: ataman@metu.edu.tr

    2008-08-15

    A novel analytical technique was developed where gaseous hydrogen selenide formed by sodium tetrahydroborate reduction is transported to and trapped on a resistively heated gold-coated W-coil atom trap for in situ preconcentration. Gold coating on W-coil was prepared by using an organic solution of Au. The atom trap is held at 165 {sup o}C during the collection stage and is heated up to 675 deg. C for revolatilization; analyte species formed are transported to an externally heated quartz T-tube where the atomization takes place and the transient signal is obtained. The carrier gas consisted of 112.5 ml min{sup -1} Ar with 75 ml min{sup -1} H{sub 2} during the collection step and 112.5 ml min{sup -1} Ar with 450 ml min{sup -1} H{sub 2} in the revolatilization step. The half width of the transient signal obtained is less than 0.5 s. The RSD for the measurements was found to be 3.9% (n = 11) for 0.10 {mu}g l{sup -1} Se using peak height measurements. The calibration plot for 27.0 ml of sample collected in 4.0 min using a flow rate of 6.75 ml min{sup -1} was linear between 0.13 and 2.0 {mu}g l{sup -1} of Se. The limit of detection (3 s) is 39 ng l{sup -1}. The enhancement factor for the characteristic concentration (C{sub o}) was found to be 20.1 when compared to conventional hydride generation atomic absorption spectrometry system without trap. In order to check the accuracy of the method, standard reference material, natural water NIST 1640 was employed; the result was found to be in good agreement with the certified value at the 95% confidence level.

  1. A novel analytical system involving hydride generation and gold-coated W-coil trapping atomic absorption spectrometry for selenium determination at ng l - 1 level

    Science.gov (United States)

    Kula, İ.; Arslan, Y.; Bakırdere, S.; Ataman, O. Y.

    2008-08-01

    A novel analytical technique was developed where gaseous hydrogen selenide formed by sodium tetrahydroborate reduction is transported to and trapped on a resistively heated gold-coated W-coil atom trap for in situ preconcentration. Gold coating on W-coil was prepared by using an organic solution of Au. The atom trap is held at 165 °C during the collection stage and is heated up to 675 °C for revolatilization; analyte species formed are transported to an externally heated quartz T-tube where the atomization takes place and the transient signal is obtained. The carrier gas consisted of 112.5 ml min - 1 Ar with 75 ml min - 1 H 2 during the collection step and 112.5 ml min - 1 Ar with 450 ml min - 1 H 2 in the revolatilization step. The half width of the transient signal obtained is less than 0.5 s. The RSD for the measurements was found to be 3.9% ( n = 11) for 0.10 µg l - 1 Se using peak height measurements. The calibration plot for 27.0 ml of sample collected in 4.0 min using a flow rate of 6.75 ml min - 1 was linear between 0.13 and 2.0 µg l - 1 of Se. The limit of detection (3 s) is 39 ng l - 1 . The enhancement factor for the characteristic concentration ( Co) was found to be 20.1 when compared to conventional hydride generation atomic absorption spectrometry system without trap. In order to check the accuracy of the method, standard reference material, natural water NIST 1640 was employed; the result was found to be in good agreement with the certified value at the 95% confidence level.

  2. The restructuring of Shell Downstream; La restructuration de Shell Downstream

    Energy Technology Data Exchange (ETDEWEB)

    Maxwell, F.

    2005-01-15

    To facing a more and more competitive environment, the Group Shell began a restructuring. While the group was organized on horizontal national lines, it is creating today an integrated downstream activity. The word of this restructuring is profit. (A.L.B.)

  3. High-resolution X-ray study of the multiple ionization of Pd atoms by fast oxygen ions

    OpenAIRE

    Czarnota, M.; Banaś, D; Berset, Michel; Chmielewska, D; Dousse, Jean-Claude; Hoszowska, Joanna; Maillard, Yves-Patrick; Mauron, Olivier; Pajek, M.; Polasik, M.; Raboud, Pierre-Alexandre; Rzadkiewicz, J.; Słabkowska, K.; Sujkowski, Z.

    2010-01-01

    The multiple ionization of the L- and M-shells of Pd by fast oxygen ions has been studied by measuring with high-resolution the satellite structures of the Lα1,2 X-ray transitions. Relativistic multi-configuration Dirac-Fock (MCDF) calculations were used to interpret the complex X-ray spectrum, allowing to derive the number of L- and M-shell spectator vacancies at the moment of the X-ray emission. After correcting these numbers for the atomic vacancy rearrangement processes that take place pr...

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

    Science.gov (United States)

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

    2016-11-01

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

  5. Collisions of halogen (/sup 2/P) and rare gas (/sup 1/S) atoms. [Differential cross sections, elastic model, coupling potential energy, L-S coupling, multiplets

    Energy Technology Data Exchange (ETDEWEB)

    Becker, C.H.

    1978-12-01

    Differential cross sections I (THETA) at several collision energies measured in crossed molecular beam experiments are reported for several combinations of halogen atoms (/sup 2/P) scattered off rare gas-rare gas atoms (/sup 1/S/sub 0/), namely, F + Ne, F + Ar, F + Kr, F + Xe, C1 + Xe. The scattering is described by an elastic model appropriate to Hund's case c coupling. With the use of this model, the X 1/2, I 3/2, and II 1/2 interaction potential energy curves are derived by fitting calculated differential cross sections, based on analytic representations of the potentials, to the data. The F - Xe X 1/2 potential shows a significant bonding qualitatively different than for the other F-rare gases. The I 3/2 and II 1/2 potentials closely resemble the van der Waals interactions of the one electron richer ground state rare gas-rare gas systems. Coupled-channel scattering calculations are carried out for F + Ar, F + Xe, and C1 + Xe using the realistic potential curves derived earlier. The results justify the use of the elastic model, and give additional information on intramultiplet and intermultiplet transitions. The transitions are found to be governed by the crossing of the two ..cap omega.. = 1/2 potentials in the complex plane. The measured I (theta) and I (THETA) derived from the coupled-channel computations show small oscillations or perturbations (Stueckelberg oscillations) though quantitative agreement is not obtained.The nature of the anomalous F - Xe X 1/2 potential is discussed as is the approximation of a constant spin orbit coupling over the experimentally accessible range of internuclear distances for these open shell molecules. 55 references.

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

    Science.gov (United States)

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

    2014-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Roman Sommer

    2016-12-01

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

  8. Shell Analysis Manual

    Science.gov (United States)

    1968-04-01

    loading (e. g. shallow shell theory , Geckeler’s approximation for symmetrically loaded shells, etc.) Although the Shear Deformation and Specialized...interest. Included are the Reissner-Meissner equations, Geckeler’s approximations, shallow - shell theory , Donnell’s theory, and others. A. General Shells of

  9. Dosage de l'arsenic dans les charges de reformage catalytique par absorption atomique sans flamme Titration of Arsenic by Flameless Atomic Absorption in Catalytic Reforming Feedstocks

    Directory of Open Access Journals (Sweden)

    La Villa F.

    2006-11-01

    Full Text Available Nous décrivons une méthode de dosage de l'arsenic dans les charges de reformage catalytique par absorption atomique sans flamme. Après traitement de l'échantillon par une solution d'iode dans le toluène, l'arsenic est extrait par de l'acide nitrique dilué. L'addition de nitrate de magnésium a pour but de rendre l'arsenic extrait moins volatil. La méthode décrite permet d'atteindre une limite de détection de un microgramme par litre. Elle peut être appliquée à d'autres types de naphtas que les charges de reformage catalytique. This article describes a method for titrating arsenic in catalytic reforming feedstocks by flameless atomic absorption. After the sample has been treated by an iodine solution in toluene, the arsenic is extracted by diluted nitric acid. Magnesium nitrate is added sa as ta make the extracted arsenic less volatile. This method is capable of attaining a detection limit of one microgrom per liter. It con be applied to types of naphthos other than catalytic reforming feedstocks.

  10. Shell Model Estimate of Electric Dipole Moments for Xe Isotopes

    Science.gov (United States)

    Teruya, Eri; Yoshinaga, Naotaka; Higashiyama, Koji

    The nuclear Schiff moments of Xe isotopes which induce electric dipole moments of neutral Xe atoms is theoretically estimated. Parity and time-reversal violating two-body nuclear interactions are assumed. The nuclear wave functions are calculated in terms of the nuclear shell model. Influences of core excitations on the Schiff moments in addition to the over-shell excitations are discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-02-01

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

  12. MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids.

    Science.gov (United States)

    Yu, Haoyu S; He, Xiao; Truhlar, Donald G

    2016-03-08

    Kohn-Sham density functional theory is widely used for applications of electronic structure theory in chemistry, materials science, and condensed-matter physics, but the accuracy depends on the quality of the exchange-correlation functional. Here, we present a new local exchange-correlation functional called MN15-L that predicts accurate results for a broad range of molecular and solid-state properties including main-group bond energies, transition metal bond energies, reaction barrier heights, noncovalent interactions, atomic excitation energies, ionization potentials, electron affinities, total atomic energies, hydrocarbon thermochemistry, and lattice constants of solids. The MN15-L functional has the same mathematical form as a previous meta-nonseparable gradient approximation exchange-correlation functional, MN12-L, but it is improved because we optimized it against a larger database, designated 2015A, and included smoothness restraints; the optimization has a much better representation of transition metals. The mean unsigned error on 422 chemical energies is 2.32 kcal/mol, which is the best among all tested functionals, with or without nonlocal exchange. The MN15-L functional also provides good results for test sets that are outside the training set. A key issue is that the functional is local (no nonlocal exchange or nonlocal correlation), which makes it relatively economical for treating large and complex systems and solids. Another key advantage is that medium-range correlation energy is built in so that one does not need to add damped dispersion by molecular mechanics in order to predict accurate noncovalent binding energies. We believe that the MN15-L functional should be useful for a wide variety of applications in chemistry, physics, materials science, and molecular biology.

  13. Multiple shells in IRC+10216: shell properties

    Science.gov (United States)

    Mauron, N.; Huggins, P. J.

    2000-07-01

    We report on the properties of the multiple shells in the circumstellar envelope of IRC+10216, using deep optical imaging, including data from the Hubble Space Telescope. The intensity profiles confirm the presence of thin ( ~ 0farcs5 -3'' ec), limb-brightened shells in the envelope, seen in stellar and ambient Galactic light scattered by dust. The shells are spaced at irregular intervals of ~ 5'' ec-20'' ec, corresponding to time scales of 200-800 yr, although intervals as short as ~ 1'' ec (40 yr) are seen close to the star. The location of the main shells shows a good correlation with high-resolution, molecular line maps of the inner envelope, indicating that the dust and gas are well coupled. The shell/intershell density contrast is typically ~ 3, and we find that the shells form the dominant mass component of the circumstellar envelope. The shells exhibit important evolutionary effects: the thickness increases with increasing radius, with an effective dispersion velocity of 0.7 km s-1 and there is evidence for shell interactions. Despite the presence of bipolar structure close to the star, the global shell pattern favors a roughly isotropic, episodic mass loss mechanism, with a range of time scales. Based on observations made with the Canada-France-Hawaii telescope, operated by CNRS, NRCC and UH, and on dearchived observations made with the NASA/ESA Hubble Space Telescope, operated by AURA Inc., under NASA contract NAS5-26555

  14. Strontium clusters: electronic and geometry shell effects

    DEFF Research Database (Denmark)

    Lyalin, Andrey G.; Solov'yov, Ilia; Greiner, Walter

    2008-01-01

    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 is shown that the excessive charge essentially affects the optimized geometry......The optimized structure and electronic properties of neutral, singly and doubly charged strontium clusters have been investigated using it 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, and spectra of the density of electronic states (DOS). It is demonstrated that the size-evolution of structural and electronic properties of strontium clusters...

  15. Atomic physics with highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1991-08-01

    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.

  16. Mn(Ⅱ)-5-Br-PADAP共沉淀-火焰原子吸收光谱法测定虾、贝样中的镉%Determination of Cadmium in Shrimp and Shell Fish Samples by Coprecipitation Enrichment with Mn(Ⅱ)-5-Br-PADAP Flame Atomic Absorption Spectrometry

    Institute of Scientific and Technical Information of China (English)

    陈清慧; 万瑶宇; 李倩; 姚俊学

    2016-01-01

    as a carrier which chelated with 2-(5-bromo-2-pyridylazo)-5-diethylaminophenol to detect the content of trace cadmium in shrimp and shell fish samples with flame atomic absorption spectrometry for the first time.The precipitate could be easily dissolved with concentrated nitric acid.The optimum coprecipitation of this new method including the amount of reagent,amount of manganese (Ⅱ),the pH,and the standing time of the precipitate had been confirmed for the quantitative recoveries of the analytes.The effect of matrix ions and the interference of co-existing ions were also evaluated.Under the experimental conditions established by the optimization step,the system of Mn(Ⅱ)-5-Br-PADAP was able to overcome the matrix interference which showed the effect of separation and enrichment well.The linear range of cadmium content was determined to be 0.1~1.0 mg·L-1 .The sensitivity and the relative standard deviation(RSD)were found 0.147(mg·L-1 )-1 ,0.73%,respectively.The optimum proce-dure allows the determination of cadmium with limit of detection of 4.27μg·L-1 .The complexity of preprocessing was deter-mined by the complexity of food samples.So the differences of cadmium content in the samples between the direct determination with atomic absorption spectrometry and the measurement after coprecipitation were examined,which providedevidences for the superiority of the system again.Cadmium in shell fish and shrimp samples were 1.85 mg·kg-1 and 1.74 mg·kg-1 ,which in line with international standards of the Codex Alimentarius Commission(CAC).The credibility of the method was evaluated by standard additional method and recovery experiments.The standard addition recoveries of sample and RSDs of the method were in the range of 99.9%~100.3% and 0.15%~0.83%.The results of recovery experiment showed that the presented coprecipi-tation procedure had good repetition,high accuracy.In addition,with the method,we could draw conclusions that the experi-ments were simple and rapid

  17. Penetapan Kadar Mineral Kalium, Magnesium, Kalsium dan Besi pada Buah Ceplukan (Physalis angulata L.) Secara Spektrofotometri Serapan Atom

    OpenAIRE

    Muammar

    2016-01-01

    Physalis angulata L. (family-Solanaceae) or it has been known as cutleaf groundcherry (ceplukan), an annual shrub that mostly grows wild around us. Fruit shape is round, yellow when riped with sweet and sour taste. There are many chemical properties have been attributed to cutleaf groundcherry including physalins B, E, G, H and I, withangulatin, withaferin, phytosterol, chlorogenic acid, flavonoids, saponins, citric acid, polyphenols, malic acid, alkaloids, tannins, cryptoxa...

  18. Observation of shell effects in nanowires for the noble metals copper, silver and gold

    OpenAIRE

    Mares, A. I.; van Ruitenbeek, J. M.

    2005-01-01

    We extend our previous shell effect observation in gold nanowires at room temperature under ultra high vacuum to the other two noble metals: silver and copper. Similar to gold, silver nanowires present two series of exceptionally stable diameters related to electronic and atomic shell filling. This observation is in concordance to what was previously found for alkali metal nanowires. Copper however presents only electronic shell filling. Remarkably we find that shell structure survives under ...

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

    Science.gov (United States)

    Rezvani, Seyyed Ahmad; Soleymanpour, Ahmad

    2016-03-04

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

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

    Science.gov (United States)

    Beltrán, Blanca G; Leal, Luz O; Ferrer, Laura; Cerdà, Víctor

    2016-01-01

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

  1. Extraction of Pectin from Ginkgo Biloba L. Shells by Ion-exchange Method%离子交换法提取银杏壳中果胶工艺研究

    Institute of Scientific and Technical Information of China (English)

    顾焰波; 仇菲; 汤小芳; 常晓垒

    2015-01-01

    The pectin of ginkgo biloba L. shells were extracted by ion-exchange method. The influent of single factors and orthogo-nal tests on the yield of pectin were studied. The results showed that the appropriate technical conditions were as followed: cation exchange resins 7%, pH 2.0, the extraction temperature 85℃, the extraction time 2h,the ratio of material to extraction solution 1g/20mL. Under the process conditions, the extract yield of pectin was 4.85%.%采用离子交换法对银杏壳中果胶进行提取.通过单因素试验和正交试验探讨了提取过程中各因素对果胶得率的影响,结果表明适宜工艺条件为:离子交换树脂用量7%,pH 2.0,提取温度85℃,提取时间2h,料液比1:20(g:mL).在此工艺条件下,果胶得率为4.85%.

  2. Atomic far-IR fine-structure line mapping of L1630, M17, and W3: Comparison of (O I) and (C II) distributions

    Science.gov (United States)

    Howe, J. E.; Jaffe, Dan T.; Zhou, Shudong

    1995-01-01

    We mapped the distribution of atomic far-IR line emission from (O I) and (C II) over parsec scales in the Galactic star-forming regions L1630, M17, and W3 using the MPE Far-Infrared Fabry-Perot Imaging spectrometer (FIFI) on board the NASA Kuiper Airborne Observatory. The lines mapped include (O I) 63 microns, (O I) 146 microns, and (C II) 158 microns. Comparison of the intensities and ratios of these lines with models of photodissociation regions (e.g., Tielens & Hollenbach 1985, ApJ, 344, 770) allows us to derive temperatures and densities of the primarily neutral atomic gas layers lying on the surfaces of UV-illuminated molecular gas. In general, the (C II) line arises ubiquitously throughout the molecular clouds while the (O I) lines are mainly confined to warm, dense gas (T is greater than 100 K, n is greater than 10(exp 4)/cu cm) near the sites of O and B stars. The distribution of (C II) in the star-forming clouds implies that the (C II) emission arises on the surfaces of molecular clumps throughout the clouds, rather than only at the boundary layer between molecular gas and H II regions.

  3. Point defects and irradiation in oxides: simulations at the atomic scale; Defauts ponctuels et irradiation dans les oxydes: simulation a l'echelle atomique

    Energy Technology Data Exchange (ETDEWEB)

    Crocombette, J.P

    2005-12-15

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

  4. Novel highly ordered core–shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Dey, Sonal; Hossain, Mohammad D.; Mayanovic, Robert A.; Wirth, Richard; Gordon, Robert A.

    2016-10-26

    Core–shell nanoparticles have potential for a wide range of applications due to the tunability of their magnetic, catalytic, electronic, optical, and other physicochemical properties. A frequent drawback in the design of core–shell nanoparticles and nanocrystals is the lack of control over an extensive, disordered, and compositionally distinct interface that occurs due to the dissimilarity of structural and compositional phases of the core and shell. In this work, we demonstrate a new hydrothermal nanophase epitaxy (HNE) technique to synthesize highly structurally ordered α-Cr2O3@α-Co0.38Cr1.62O2.92 inverted core–shell nanoparticles (CSNs) with evidence for the nanoscale growth of corundum structure beginning from the core and extending completely into the shell of the CSNs with minimal defects at the interface. The high-resolution TEM results show a sharp interface exhibiting epitaxial atomic registry of shell atoms over highly ordered core atoms. The XPS and Co K-edge XANES analyses indicate the +2 oxidation state of cobalt is incorporated in the shell of the CSNs. Our XPS and EXAFS results are consistent with oxygen vacancy formation in order to maintain charge neutrality upon substitution of the Co2+ ion for the Cr3+ ion in the α-Co0.38Cr1.62O2.92 shell. Furthermore, the CSNs exhibit the magnetic exchange bias effect, which is attributed to the exchange anisotropy at the interface made possible by the nanophase epitaxial growth of the α-Co0.38Cr1.62O2.92 shell on the α-Cr2O3 core of the nanoparticles. The combination of a well-structured, sharp interface and novel nanophase characteristics is highly desirable for nanostructures having enhanced magnetic properties.

  5. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

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

  6. Methylmercury in water samples at the pg/L level by online preconcentration liquid chromatography cold vapor-atomic fluorescence spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Brombach, Christoph-Cornelius [Trace Element Speciation Laboratory, Department of Chemistry, Meston Walk, University of Aberdeen, Aberdeen AB24 3UE (United Kingdom); Chen, Bin; Corns, Warren T. [PS Analytical, Arthur House, Crayfields Industrial Estate, Main Road, Orpington, Kent BR5 3HP (United Kingdom); Feldmann, Jörg [Trace Element Speciation Laboratory, Department of Chemistry, Meston Walk, University of Aberdeen, Aberdeen AB24 3UE (United Kingdom); Krupp, Eva M., E-mail: e.krupp@abdn.ac.uk [Trace Element Speciation Laboratory, Department of Chemistry, Meston Walk, University of Aberdeen, Aberdeen AB24 3UE (United Kingdom)

    2015-03-01

    Ultra-traces of methylmercury at the sub-ppt level can be magnified in the foodweb and is of concern. In environmental monitoring a routine robust analytical method is needed to determine methylmercury in water. The development of an analytical method for ultra-trace speciation analysis of methylmercury (MeHg) in water samples is described. The approach is based on HPLC-CV-AFS with on-line preconcentration of water samples up to 200 mL, resulting in a detection limit of 40 pg/L (ppq) for MeHg, expressed as Hg. The unit consists of an optimized preconcentration column filled with a sulfur-based sorption material, on which mercury species are preconcentrated and subsequently eluted, separated and detected via HPLC-CV-AFS (high performance liquid chromatography–cold vapor atomic fluorescence spectrometry). During the method development a type of adsorbate material, the pH dependence, the sample load rate and the carry-over were investigated using breakthrough experiments. The method shows broad pH stability in the range of pH 0 to 7, without the need for buffer addition and shows limited matrix effects so that MeHg is quantitatively recovered from sewage, river and seawater directly in the acidified samples without sample preparation. - Highlights: • We demonstrate that a novel mixture of thiourea-thiolsilica shows an excellent trapping of MeHg between a broad pH range 1–6. • We develop the method so that it can potentially be automated for inorganic and methyl-mercury. • The method is matrix independent with highly accurate results for MeHg in hair CRM extracts and spiked water samples • The limit of detection is around 40 pg/L when just 200 mL sample is used, without any intensive preparation.

  7. Engineered inorganic core/shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Mélinon, Patrice, E-mail: patrice.melinon@univ-lyon1.fr [Institut Lumière matière Université Claude Bernard Lyon 1 et CNRS et OMNT, Domaine Scientifique de la Doua, Bâtiment Léon Brillouin, 43 Boulevard du 11 Novembre 1918, F 69622 Villeurbanne (France); Begin-Colin, Sylvie [IPCMS et OMNT, 23 rue du Loess BP 43, 67034 STRASBOURG Cedex 2 (France); Duvail, Jean Luc [IMN UMR 6502 et OMNT Campus Sciences : 2 rue de la Houssinire, BP32229, 44322 Nantes Cedex3 (France); Gauffre, Fabienne [SPM et OMNT : Institut des sciences chimiques de Rennes - UMR 6226, 263 Avenue du General Leclerc, CS 74205, 35042 RENNES Cedex (France); Boime, Nathalie Herlin [IRAMIS-NIMBE, Laboratoire Francis Perrin (CEA CNRS URA 2453) et OMNT, Bat 522, CEA Saclay, 91191 Gif sur Yvette Cedex (France); Ledoux, Gilles [Institut Lumière Matière Université Claude Bernard Lyon 1 et CNRS et OMNT, Domaine Scientifique de la Doua, Bâtiment Alfred Kastler 43 Boulevard du 11 Novembre 1918 F 69622 Villeurbanne (France); Plain, Jérôme [Universit de technologie de Troyes LNIO-ICD, CNRS et OMNT 12 rue Marie Curie - CS 42060 - 10004 Troyes cedex (France); Reiss, Peter [CEA Grenoble, INAC-SPrAM, UMR 5819 CEA-CNRS-UJF et OMNT, Grenoble cedex 9 (France); Silly, Fabien [CEA, IRAMIS, SPEC, TITANS, CNRS 2464 et OMNT, F-91191 Gif sur Yvette (France); Warot-Fonrose, Bénédicte [CEMES-CNRS, Université de Toulouse et OMNT, 29 rue Jeanne Marvig F 31055 Toulouse (France)

    2014-10-20

    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.

  8. Methylmercury in water samples at the pg/L level by online preconcentration liquid chromatography cold vapor-atomic fluorescence spectrometry

    Science.gov (United States)

    Brombach, Christoph-Cornelius; Chen, Bin; Corns, Warren T.; Feldmann, Jörg; Krupp, Eva M.

    2015-03-01

    Ultra-traces of methylmercury at the sub-ppt level can be magnified in the foodweb and is of concern. In environmental monitoring a routine robust analytical method is needed to determine methylmercury in water. The development of an analytical method for ultra-trace speciation analysis of methylmercury (MeHg) in water samples is described. The approach is based on HPLC-CV-AFS with on-line preconcentration of water samples up to 200 mL, resulting in a detection limit of 40 pg/L (ppq) for MeHg, expressed as Hg. The unit consists of an optimized preconcentration column filled with a sulfur-based sorption material, on which mercury species are preconcentrated and subsequently eluted, separated and detected via HPLC-CV-AFS (high performance liquid chromatography-cold vapor atomic fluorescence spectrometry). During the method development a type of adsorbate material, the pH dependence, the sample load rate and the carry-over were investigated using breakthrough experiments. The method shows broad pH stability in the range of pH 0 to 7, without the need for buffer addition and shows limited matrix effects so that MeHg is quantitatively recovered from sewage, river and seawater directly in the acidified samples without sample preparation.

  9. The contribution of off-shell gluons to the structure functions F{sub 2} and F{sub L}{sup c} and the unintegrated gluon distributions

    Energy Technology Data Exchange (ETDEWEB)

    Kotikov, A.V. [Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Lipatov, A.V. [Department of Physics, M.V. Lomonosov Moscow State University, 119899 Moscow (Russian Federation); Parente, G. [Departamento de Fisica de Particulas, Universidade de Santiago de Compostela, 15706 Santiago de Compostela (Spain); Zotov, N.P. [D.V. Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, 119899 Moscow (Russian Federation)

    2002-11-01

    We calculate the perturbative parts of the structure functions F{sub 2}{sup c} and F{sub L}{sup c} for a gluon target having non-zero transverse momentum squared at order {alpha}{sub s}. The results of the double convolution (with respect to the Bjorken variable x{sub B} and the transverse momentum) of the perturbative part and the unintegrated gluon densities are compared with the HERA experimental data for F{sub 2}{sup c}. The contribution from the F{sub L}{sup c} structure function ranges in 10-30% of that of F{sub 2}{sup c} at the kinematical range of the HERA experiments. (orig.)

  10. Blended Isogeometric Shells

    Science.gov (United States)

    2012-08-01

    engendered by shell intersections, folds, boundary conditions the merging of NURBS patches, etc.We illustrate the blended theory?s performance on a...general and effective treatment of kinematic constraints engendered by shell intersections, folds, boundary con- ditions, the merging of NURBS patches...etc. We illustrate the blended theory’s performance on a series of test problems. Key words: isogeometric analysis, NURBS , shells, rotation-free

  11. Off-Shell Tachyons

    OpenAIRE

    Tang, Yi-Lei

    2015-01-01

    The idea that the new particles invented in some models beyond the standard model can appear only inside the loops is attractive. In this paper, we fill these loops with off-shell tachyons, leading to a solution of the zero results of the loop diagrams involving the off-shell non-tachyonic particles. We also calculate the Passarino-Veltman $A_0^o$ and $B_0^o$ of the off-shell tachyons.

  12. Spiral Shell Collection

    Institute of Scientific and Technical Information of China (English)

    1995-01-01

    In 1988 Zheng Haigen, a seaman with the Towboat Company of the Shanghai Salvage Bureau, began collecting spiral shells. Today he has more than 600 in his collection. The most valuable are the rare parrot shell and a shell whose spirals wind counter-clockwise. In 1991 a miniature conch with a diameter of 0.31 millimeters that he found buried in tons of sand made the Guinness Book of World Records.

  13. 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

  14. 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.

  15. The splitting of atomic orbitals with a common principal quantum number revisited: np vs. ns.

    Science.gov (United States)

    Katriel, Jacob

    2012-04-14

    Atomic orbitals with a common principal quantum number are degenerate, as in the hydrogen atom, in the absence of interelectronic repulsion. Due to the virial theorem, electrons in such orbitals experience equal nuclear attractions. Comparing states of several-electron atoms that differ by the occupation of orbitals with a common principal quantum number, such as 1s(2) 2s vs. 1s(2) 2p, we find that although the difference in energies, ΔE, is due to the interelectronic repulsion term in the Hamiltonian, the difference between the interelectronic repulsions, ΔC, makes a smaller contribution to ΔE than the corresponding difference between the nuclear attractions, ΔL. Analysis of spectroscopic data for atomic isoelectronic sequences allows an extensive investigation of these issues. In the low nuclear charge range of pertinent isoelectronic sequences, i.e., for neutral atoms and mildly positively charged ions, it is found that ΔC actually reverses its sign. About 96% of the nuclear attraction difference between the 6p (2)P and the 6s (2)S states of the Cs atom is cancelled by the corresponding interelectronic repulsion difference. From the monotonic increase of ΔE with Z it follows (via the Hellmann-Feynman theorem) that ΔL > 0. Upon increasing the nuclear charge along an atomic isoelectronic sequence with a single electron outside a closed shell from Z(c), the critical charge below which the outmost electron is not bound, to infinity, the ratio ΔC/ΔL increases monotonically from lim(Z→Z(c)(+))ΔC/ΔL=-1 to lim(Z→∞)ΔC/ΔL=1. These results should allow for a more nuanced discussion than is usually encountered of the crude electronic structure of many-electron atoms and the structure of the periodic table.

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

    NARCIS (Netherlands)

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

    2012-01-01

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

  17. K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory.

    Science.gov (United States)

    Fransson, Thomas; Burdakova, Daria; Norman, Patrick

    2016-05-21

    X-ray absorption spectra of carbon, silicon, germanium, and sulfur compounds have been investigated by means of damped four-component density functional response theory. It is demonstrated that a reliable description of relativistic effects is obtained at both K- and L-edges. Notably, an excellent agreement with experimental results is obtained for L2,3-spectra-with spin-orbit effects well accounted for-also in cases when the experimental intensity ratio deviates from the statistical one of 2 : 1. The theoretical results are consistent with calculations using standard response theory as well as recently reported real-time propagation methods in time-dependent density functional theory, and the virtues of different approaches are discussed. As compared to silane and silicon tetrachloride, an anomalous error in the absolute energy is reported for the L2,3-spectrum of silicon tetrafluoride, amounting to an additional spectral shift of ∼1 eV. This anomaly is also observed for other exchange-correlation functionals, but it is seen neither at other silicon edges nor at the carbon K-edge of fluorine derivatives of ethene. Considering the series of molecules SiH4-XFX with X = 1, 2, 3, 4, a gradual divergence from interpolated experimental ionization potentials is observed at the level of Kohn-Sham density functional theory (DFT), and to a smaller extent with the use of Hartree-Fock. This anomalous error is thus attributed partly to difficulties in correctly emulating the electronic structure effects imposed by the very electronegative fluorines, and partly due to inconsistencies in the spurious electron self-repulsion in DFT. Substitution with one, or possibly two, fluorine atoms is estimated to yield small enough errors to allow for reliable interpretations and predictions of L2,3-spectra of more complex and extended silicon-based systems.

  18. Snap-Through Buckling Problem of Spherical Shell Structure

    Directory of Open Access Journals (Sweden)

    Sumirin Sumirin

    2014-12-01

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

  19. Elastic platonic shells.

    Science.gov (United States)

    Yong, Ee Hou; Nelson, David R; Mahadevan, L

    2013-10-25

    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 transition from the sphere which is strongly hysteretic in loading or unloading. We construct a minimal Landau theory for the transition using quadratic and cubic invariants of the spherical harmonic modes. Our approach suggests methods to engineer shape into soft spherical shells using a frozen defect topology.

  20. Enhanced antibacterial activity of bimetallic gold-silver core-shell nanoparticles at low silver concentration

    Science.gov (United States)

    Banerjee, Madhuchanda; Sharma, Shilpa; Chattopadhyay, Arun; Ghosh, Siddhartha Sankar

    2011-12-01

    Herein we report the development of bimetallic Au@Ag core-shell nanoparticles (NPs) where gold nanoparticles (Au NPs) served as the seeds for continuous deposition of silver atoms on its surface. The core-shell structure and morphology were examined by UV-Vis spectroscopy, transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis and X-ray diffraction (XRD). The core-shell NPs showed antibacterial activity against both Gram negative (Escherichia coli and Pseudomonas aeruginosa) and Gram positive (Enterococcus faecalis and Pediococcus acidilactici) bacteria at low concentration of silver present in the shell, with more efficacy against Gram negative bacteria. TEM and flow cytometric studies showed that the core-shell NPs attached to the bacterial surface and caused membrane damage leading to cell death. The enhanced antibacterial properties of Au@Ag core-shell NPs was possibly due to the more active silver atoms in the shell surrounding gold core due to high surface free energy of the surface Ag atoms owing to shell thinness in the bimetallic NP structure.Herein we report the development of bimetallic Au@Ag core-shell nanoparticles (NPs) where gold nanoparticles (Au NPs) served as the seeds for continuous deposition of silver atoms on its surface. The core-shell structure and morphology were examined by UV-Vis spectroscopy, transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis and X-ray diffraction (XRD). The core-shell NPs showed antibacterial activity against both Gram negative (Escherichia coli and Pseudomonas aeruginosa) and Gram positive (Enterococcus faecalis and Pediococcus acidilactici) bacteria at low concentration of silver present in the shell, with more efficacy against Gram negative bacteria. TEM and flow cytometric studies showed that the core-shell NPs attached to the bacterial surface and caused membrane damage leading to cell death. The enhanced antibacterial properties of Au@Ag core-shell NPs was

  1. 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.

  2. 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.

  3. X-ray-excited optical luminescence of impurity atom in semiconductor.

    Science.gov (United States)

    Ishii, M; Tanaka, Y; Komuro, S; Morikawa, T; Aoyagi, Y; Ishikawa, T

    2001-03-01

    We observed the x-ray-excited optical luminescence (XEOL) of erbium-doped silicon (Si:Er) thin films to make a site-selective x-ray absorption fine structure (XAFS) measurement of an optically active Er atom. The undulator beam was used for the increment of the electron population in the excited state, and following XEOL at an infrared wavelength of 1.54 microm with minimum absorption loss in the host Si was detected. The edge-jump and XAFS oscillation were successfully obtained at the Er L(III)-edge. This spectrum originated from inner-shell excitation and relaxation of only the optically active Er atom, indicating that site-selectivity at an atomic level was achieved.

  4. 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.

  5. Evanescent Wave Atomic Mirror

    Science.gov (United States)

    Ghezali, S.; Taleb, A.

    2008-09-01

    A research project at the "Laboratoire d'électronique quantique" consists in a theoretical study of the reflection and diffraction phenomena via an atomic mirror. This poster presents the principle of an atomic mirror. Many groups in the world have constructed this type of atom optics experiments such as in Paris-Orsay-Villetaneuse (France), Stanford-Gaithersburg (USA), Munich-Heidelberg (Germany), etc. A laser beam goes into a prism with an incidence bigger than the critical incidence. It undergoes a total reflection on the plane face of the prism and then exits. The transmitted resulting wave out of the prism is evanescent and repulsive as the frequency detuning of the laser beam compared to the atomic transition δ = ωL-ω0 is positive. The cold atomic sample interacts with this evanescent wave and undergoes one or more elastic bounces by passing into backward points in its trajectory because the atoms' kinetic energy (of the order of the μeV) is less than the maximum of the dipolar potential barrier ℏΩ2/Δ where Ω is the Rabi frequency [1]. In fact, the atoms are cooled and captured in a magneto-optical trap placed at a distance of the order of the cm above the prism surface. The dipolar potential with which interact the slow atoms is obtained for a two level atom in a case of a dipolar electric transition (D2 Rubidium transition at a wavelength of 780nm delivered by a Titane-Saphir laser between a fundamental state Jf = l/2 and an excited state Je = 3/2). This potential is corrected by an attractive Van der Waals term which varies as 1/z3 in the Lennard-Jones approximation (typical atomic distance of the order of λ0/2π where λ0 is the laser wavelength) and in 1/z4 if the distance between the atom and its image in the dielectric is big in front of λ0/2π. This last case is obtained in a quantum electrodynamic calculation by taking into account an orthornormal base [2]. We'll examine the role of spontaneous emission for which the rate is inversely

  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. Core/shell formation and surface segregation of multi shell icosahedral silver-palladium bimetallic nanostructures: A dynamic and thermodynamic study

    Energy Technology Data Exchange (ETDEWEB)

    Hewage, Jinasena W., E-mail: jinasena@chem.ruh.ac.lk

    2016-05-01

    Core/shell formation and surface segregation of multi shell icosahedral bimetallic silver-palladium nanostructures with the size of 55 and 147 atoms were studied by using the Molecular Dynamics simulations, and calculating Helmholtz free energy changes in the penetration of palladium atoms from shell to core, core to shell transition of silver and melting temperatures by using statistical mechanical densities of states. In 55 atoms icosahedra, two core–shell motifs, Ag{sub 13}Pd{sub 42} and Pd{sub 13}Ag{sub 42} with their isomers Pd{sub 13}(Pd{sub 29}Ag{sub 13}) and Ag{sub 13}(Ag{sub 29}Pd{sub 13}) were considered. Similarly in 147 atoms icosahedra, all mutations corresponding to the occupations of either silver 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 palladium-core clusters are more stable than the silver-core clusters and cohesive energy increases with the palladium composition. Phase transition of each cluster was studied by means of constant volume heat capacity. The trend in variation of melting temperature is accordance with the energy trend. Helmholtz free energy changes in palladium penetration, core to shell transition of silver and in surface mixing and segregation revealed the thermodynamic stability of the formation of Pd{sub core}Ag{sub shell} structures especially at silver rich environment and the surface segregation of silver. - Highlights: • Nanostructures of Pd{sub m}Ag{sub n} clusters for m + n = 55 and 147 have been studied. • Structures favor the formation of palladium-core surrounded by silver shell. • Calculated thermodynamic parameters confirm the energetic results. • Core/shell formation is favored at concentration of silver. • Silver segregation on surface while palladium penetration to core is observed.

  8. 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.

  9. The Nonlinear Instability Modes of Dished Shallow Shells under Circular Line Loads

    OpenAIRE

    Liu Chang-Jiang; Zheng Zhou-Lian; Huang Cong-Bing; He Xiao-Ting; Sun Jun-Yi; Chen Shan-Lin

    2011-01-01

    This paper investigated the nonlinear stability problem of dished shallow shells under circular line loads. We derived the dimensionless governing differential equations of dished shallow shell under circular line loads according to the nonlinear theory of plates and shells and solved the governing differential equations by combing the free-parameter perturbation method (FPPM) with spline function method (SFM) to analyze the nonlinear instability modes of dished shallow shell under circular l...

  10. 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

    2016-03-17

    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 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.

  11. Many-Body Theory of Atomic Transitions

    Science.gov (United States)

    Holmes, Charles Potter

    This dissertation presents a systematic approach to the derivation of transition widths and cross sections for atomic radiative and/or nonradiative processes. By applying the transition theory of Goldberger and Watson ^1, all transition properties are derived from proper solutions of the time-dependent Schrodinger equation. The focus is on situations where initial and final wave functions are nonorthogonal functions that belong to different self-consistent fields. This approach is particularly useful in the treatment of ionizing transitions where the outgoing free electron sees a different atomic potential from that of the initial bound state. Transition amplitudes are expressed as perturbation expansions in which singularities have been removed algebraically. These singularities are due to states which are degenerate with the initial and final states and represent the competing transition channels. The perturbation expansions show clearly the role of the nonorthogonality of the participating states leading to terms representing "shake" processes competing with higher-order electron correlation processes. Transition amplitudes including all second-order processes, are derived for the following transitions: X-ray, Auger, photoionization, radiative recombination, dielectronic recombination, radiative -Auger. Comparisons are made with the expressions frequently used by other workers. Using a Hartree-Fock-Slater model K- and L-shell X-ray and Auger transition widths are calculated for the range 5 Z Theory, (John Wiley & Sons, New York, 1964), Chapter 8, page 424.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-04-27

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

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

    Science.gov (United States)

    Tsujibayashi, Toru; Azuma, Junpei; Yamamoto, Isamu; Takahashi, Kazutoshi; Kamada, Masao

    2015-04-01

    A thin film of L-cysteine (HSCH2CH(NH2)COOH) is grown on a silver substrate in saliva-emulated aqueous solution. X-ray photoemission spectroscopic measurements have revealed that the sulfur atom shows valence change under IR laser irradiation at 825 nm. The valence change maintains for about a minute at room temperature and more than an hour between 110 and 250 K after stopping the laser irradiation. It is not observed at all at temperatures lower than 110 K. This temperature-dependent behavior indicates that the photo-excited electronic change should be accompanied by a conformational change in the L-cysteine molecule. It is strongly suggested that the reversible valence change of the sulfur atom is applicable to a memory used around room temperature.

  14. 石墨炉原子吸收法测定萝卜中的硒%Graphite Furnace Atomic Absorption Method for the Determination of Selenium in Raphanus sativus L.

    Institute of Scientific and Technical Information of China (English)

    铁梅; 张莹; 张朝红; 惠秀娟; 陈忠林; 刘阳; 李宝瑞

    2013-01-01

    [Objective] Determination of selenium in Raphanus sativus L.by Graphite Furnace Atomic Absorption Spectrometry.[Method] Compared single ion(Cu,Ni,Pd) and mixing ion (Cu-Pd,Ni-Pd) by Graphite Furnace Atomic Absorption method for determination of selenium in improving action; To determine the optimal method for the determination of selenium by graphite furnace atomic absorption spectrometry by optimizing the lamp current,ashing temperature and atomization temperature,and determination of selenium in Raphanus sativus L..[Result] The result showed that 1 mg/ml Cu(NO3)2 as matrix modifier,ashing temperature and atomization temperature in 800 ℃,2 500 ℃ for optimum conditions of selenium content in Raphanus sativus L..The recovery rate was 99.6%-106.0%,relative standard deviation is 1.19%,the detection limit is 0.79 μg/L.[Conclusion] This method is simple,sensitive,stable,accurate,applicable to selenium determination in Raphanus sativus L..%[目的]建立石墨炉原子吸收法测定萝卜中硒的方法.[方法]比较了Cu、Ni、Pd及Cu-Pd、Ni-Pd协同作用对硒的测定的影响,确定最佳基改剂;通过优化灯电流、灰化温度和原子化温度等确定石墨炉原子吸收法测定硒的最佳方法,并测定萝卜中的硒.[结果]1mg/ml Cu(NO3)2作为基体改进剂,灰化温度800℃,原子化温度2 500℃为测定不同萝卜中硒的含量的适宜条件.在该条件下测定Se的加标回收率在99.6% ~ 106.0%,方法相对标准偏差为1.19%,检出限为0.79 μg/L.[结论]该方法简便、灵敏、稳定、准确,适用于萝卜中硒的分析测定.

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

    Science.gov (United States)

    Wang, Qiang; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui

    2017-02-01

    Bimetallic core-shell nanoparticles (CSNPs) have attracted great interest not only because of their superior stability, selectivity, and catalytic activity but also due to their tunable properties achieved by changing the morphology, sequence, and sizes of both core and shell. In this study, the structure, stability, charge transfer, electronic, and magnetic properties of 13-atom and 55-atom Cu and Cu-Ni CSNPs were investigated using the density functional theory (DFT) calculations. The results show that Ni@Cu CSNPs with a Cu surface shell are more energetically favorable than Cu@Ni CSNPs with a Ni surface shell. Interestingly, three-shell Ni@Cu12@Ni42 is more stable than two-shell Cu13@Ni42, while two-shell Ni13@Cu42 is more stable than three-shell Cu@Ni12@Cu42. Analysis of Bader charge illustrates that the charge transfer increases from Cu core to Ni shell in Cu@Ni NPs, while it decreases from Ni core to Cu shell in Ni@Cu NPs. Furthermore, the charge transfer results that d-band states have larger shift toward the Fermi level for the Ni@Cu CSNPs with Cu surface shell, while the Cu@Ni CSNPs with Ni surface shell have similar d-band state curves and d-band centers with the monometallic Ni NPs. In addition, the Cu-Ni CSNPs possess higher magnetic moment when the Ni atoms aggregated at core region of CSNPs, while having lower magnetic moment when the Ni atoms segregate on surface region. The change of the Cu atom location in CSNPs has a weak effect on the total magnetic moment. Our findings provide useful insights for the design of bimetallic core-shell catalysts.

  16. Fabrication of diamond shells

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-11-01

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

  17. Sensational spherical shells

    Science.gov (United States)

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

    1986-01-01

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

  18. 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.

  19. Inner-shell couplings in transiently formed superheavy quasimolecules

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-06-15

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

  20. Stabilization of the resistive shell mode in tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Fitzpatrick, R.; Aydemir, A.

    1995-02-01

    The stability of current-driven external-kink modes is investigated in a tokamak plasma surrounded by an external shell of finite electrical conductivity. According to conventional theory, the ideal mode can be stabilized by placing the shell sufficiently close to the plasma, but the non-rotating ``resistive shell mode,`` which grows on the characteristic L/R time of the shell, always persists. It is demonstrated, using both analytic and numerical techniques, that a combination of strong edge plasma rotation and dissipation somewhere inside the plasma is capable of stabilizing the resistive shell mode. This stabilization mechanism does not necessarily depend on toroidicity or presence of resonant surfaces inside the plasma.

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

    Science.gov (United States)

    Spadaro, M. C.; Luches, P.; Benedetti, F.; Valeri, S.; Turchini, S.; Bertoni, G.; Ferretti, A. M.; Capetti, E.; Ponti, A.; D'Addato, S.

    2017-02-01

    Films of Ni@CoO core-shell nanoparticles (NP Ni core size d ≈ 11 nm) have been grown on Si/SiOx and lacey carbon supports, by a sequential layer deposition method: a first layer of CoO was evaporated on the substrate, followed by the deposition of a layer of pre-formed, mass-selected Ni NPs, and finally an overlayer of CoO was added. The Ni NPs were formed by a magnetron gas aggregation source, and mass selected with a quadrupole mass filter. The morphology of the films was investigated with Scanning Electron Microscopy and Scanning Transmission Electron Microscopy. The Ni NP cores have a shape compatible with McKay icosahedron, caused by multitwinning occurring during their growth in the source, and the Ni NP layer shows the typical random paving growth mode. After the deposition of the CoO overlayer, CoO islands are observed, gradually extending and tending to merge with each other, with the formation of shells that enclose the Ni NP cores. In situ X-ray Photoelectron Spectroscopy showed that a few Ni atomic layers localized at the core-shell interface are oxidized, hinting at the possibility of creating an intermediate NiO shell between Ni and CoO, depending on the deposition conditions. Finally, X-ray Magnetic Circular Dichroism at the Ni L2,3 absorption edge showed the presence of magnetization at room temperature even at remanence, revealing the possibility of magnetic stabilization of the NP film.

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

    CERN Document Server

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

    2009-01-01

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

  3. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Martino, Trassinelli

    2005-12-15

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

  5. Multiple integral formulae for the scalar product of on-shell and off-shell Bethe vectors in SU(3)-invariant models

    CERN Document Server

    Wheeler, M

    2013-01-01

    We study the scalar product S_{l,m} between an on-shell and an off-shell Bethe state in models with SU(3)-invariance, where l and m denote the cardinalities of the two sets of Bethe roots. We construct recursion relations relating S_{l,m} to scalar products of smaller dimension, namely S_{l-1,m} and S_{l,m-1}. Solving these recursion relations we obtain new multiple integral expressions for S_{l,m}, whose integrands are (l+m) \\times (l+m) determinants, and closely related to the Slavnov determinant expression for the SU(2) scalar product.

  6. 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.

  7. 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...

  8. Étude de la contribution de la diffusion simple et multiple à l'amplitude des atomes voisins du silicium dans SiO{2} : application à un granulat soumis à la réaction alcali-silice

    Science.gov (United States)

    Boinski, F.; Khouchaf, L.; Verstraete, J.; Tuilier, M. H.

    2004-11-01

    Les amplitudes des différentes distributions lointaines de la transformée de Fourier d'un spectre EXAFS contiennent des informations précieuses pour la caractérisation de l'ordre local autour d'un atome donné. Ces informations sont souvent nécessaires pour la proposition de modèles. Or souvent dans cette zone, les distances inter atomiques correspondent à des libres parcours moyens du photoélectron assez importants. La contribution due à la diffusion multiple perturbe le signal propre de la diffusion simple des atomes diffuseurs. Afin de mieux évaluer l'influence de la diffusion multiple dans nos échantillons constitués de granulats à base de SiO{2} attaqués par la réaction alcali-silice, nous avons calculé les différents parcours de diffusion simple et multiple dans ce composé. Les calculs montrent que lorsque la contribution de la diffusion multiple n'est pas atténuée, l'exploitation des voisins lointains est difficile voir impossible. La modélisation des spectres TF expérimentaux a pu être réalisée uniquement en négligeant la contribution de la diffusion multiple. Ce résultat va nous permettre l'exploitation des voisins lointains en particulier les atomes silicium dans le granulat brut et après dégradation en se basant sur le formalisme de la diffusion simple.

  9. 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.

  10. L X-ray emission induced by heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Pajek, M. [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Banaś, D., E-mail: d.banas@ujk.edu.pl [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Braziewicz, J.; Majewska, U.; Semaniak, J. [Institute of Physics, Jan Kochanowski University, 25-406 Kielce (Poland); Fijał-Kirejczyk, I. [The Institute of Atomic Energy, 05-400 Otwock-Świerk (Poland); Jaskóła, M.; Czarnacki, W.; Korman, A. [The National Centre for Nuclear Research, 05-400 Otwock-Świerk (Poland); Kretschmer, W. [Physikalisches Institut, Universität Erlangen-Nürnberg, D-91058 Erlangen (Germany); Mukoyama, T. [Institute for Nuclear Research, Hungarian Academy of Sciences (ATOMKI), H-4026 Debrecen (Hungary); Trautmann, D. [Institut für Physik, Universität Basel, Basel (Switzerland)

    2015-11-15

    Particle-induced X-ray emission (PIXE) technique is usually applied using typically 1 MeV to 3 MeV protons or helium ions, for which the ion-atom interaction is dominated by the single ionization process. For heavier ions the multiple ionization plays an increasingly important role and this process can influence substantially both the X-ray spectra and atomic decay rates. Additionally, the subshell coupling effects are important for the L- and M-shells ionized by heavy ions. Here we discuss the main features of the X-ray emission induced by heavy ions which are important for PIXE applications, namely, the effects of X-ray line shifts and broadening, vacancy rearrangement and change of the fluorescence and Coster–Kronig yields in multiple ionized atoms. These effects are illustrated here by the results of the measurements of L X-ray emission from heavy atoms bombarded by 6 MeV to 36 MeV Si ions, which were reported earlier. The strong L-subshell coupling effects are observed, in particular L{sub 2}-subshell, which can be accounted for within the coupling subshell model (CSM) developed within the semiclassical approximation. Finally, the prospects to use heavy ions in PIXE analysis are discussed.

  11. L X-ray emission induced by heavy ions

    Science.gov (United States)

    Pajek, M.; Banaś, D.; Braziewicz, J.; Majewska, U.; Semaniak, J.; Fijał-Kirejczyk, I.; Jaskóła, M.; Czarnacki, W.; Korman, A.; Kretschmer, W.; Mukoyama, T.; Trautmann, D.

    2015-11-01

    Particle-induced X-ray emission (PIXE) technique is usually applied using typically 1 MeV to 3 MeV protons or helium ions, for which the ion-atom interaction is dominated by the single ionization process. For heavier ions the multiple ionization plays an increasingly important role and this process can influence substantially both the X-ray spectra and atomic decay rates. Additionally, the subshell coupling effects are important for the L- and M-shells ionized by heavy ions. Here we discuss the main features of the X-ray emission induced by heavy ions which are important for PIXE applications, namely, the effects of X-ray line shifts and broadening, vacancy rearrangement and change of the fluorescence and Coster-Kronig yields in multiple ionized atoms. These effects are illustrated here by the results of the measurements of L X-ray emission from heavy atoms bombarded by 6 MeV to 36 MeV Si ions, which were reported earlier. The strong L-subshell coupling effects are observed, in particular L2-subshell, which can be accounted for within the coupling subshell model (CSM) developed within the semiclassical approximation. Finally, the prospects to use heavy ions in PIXE analysis are discussed.

  12. 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....

  13. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Villette, J

    2000-10-15

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

  15. Multiple electron capture in close ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-07-24

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

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

    Science.gov (United States)

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

    2015-08-01

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

  17. Atomic scale modelling of materials of the nuclear fuel cycle; Modelisation a l'echelle atomique de materiaux nucleaires du cycle du combustible

    Energy Technology Data Exchange (ETDEWEB)

    Bertolus, M.

    2011-10-15

    This document written to obtain the French accreditation to supervise research presents the research I conducted at CEA Cadarache since 1999 on the atomic scale modelling of non-metallic materials involved in the nuclear fuel cycle: host materials for radionuclides from nuclear waste (apatites), fuel (in particular uranium dioxide) and ceramic cladding materials (silicon carbide). These are complex materials at the frontier of modelling capabilities since they contain heavy elements (rare earths or actinides), exhibit complex structures or chemical compositions and/or are subjected to irradiation effects: creation of point defects and fission products, amorphization. The objective of my studies is to bring further insight into the physics and chemistry of the elementary processes involved using atomic scale modelling and its coupling with higher scale models and experimental studies. This work is organised in two parts: on the one hand the development, adaptation and implementation of atomic scale modelling methods and validation of the approximations used; on the other hand the application of these methods to the investigation of nuclear materials under irradiation. This document contains a synthesis of the studies performed, orientations for future research, a detailed resume and a list of publications and communications. (author)

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

    Science.gov (United States)

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

    2017-02-01

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

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

    DEFF Research Database (Denmark)

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

    1969-01-01

    Excitation potentials and shell corrections for the elements Z 2=20 to Z2=30 are evaluated from experimental stopping-power data for 5-12-MeV protons and deuterons. Use is made of Walske's K- and L-shell corrections and shell corrections calculated by Bonderup (1967) on the basis of the Thomas-Fe...

  20. Neutron Diffraction Studies of the Atomic Vibrations of Bulk and Surface Atoms of Nanocrystalline SiC

    Science.gov (United States)

    Stelmakh, S.; Grzanka, E.; Zhao, Y.; Palosz, W.; Palosz, B.

    2004-01-01

    Thermal atomic motions of nanocrystalline Sic were characterized by two temperature atomic factors B(sub core), and B(sub shell). With the use of wide angle neutron diffraction data it was shown that at the diffraction vector above 15A(exp -1) the Wilson plots gives directly the temperature factor of the grain interior (B(sub core)). At lower Q values the slope of the Wilson plot provides information on the relative amplitudes of vibrations of the core and shell atoms.

  1. Hirshfeld atom refinement.

    Science.gov (United States)

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

    2014-09-01

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

  2. Création d'atomes d'argon excités dans des états de Rydberg en vue de l'étude de l'autodétachement électronique d'ions moléculaires SF6 -6 dans un piège quadrupolaire radiofréquence

    OpenAIRE

    Brincourt, G.; Vedel, M.; Zerega, Y.; André, J; Vedel, F.

    1982-01-01

    Nous décrivons dans ce travail les conditions expérimentales d'obtention d'atomes d'argon excités dans des états de Rydberg par bombardement électronique. Nous précisons certaines de leurs propriétés qu'il est nécessaire de connaître dans la perspective de l'étude de l'auto-détachement électronique d'ions moléculaires SF6-dans un piège quadrupolaire radiofréquence. Ces ions sont créés par interaction, à énergie quasi-nulle, de molécules SF6 avec des atomes excités dans des états de Rydberg. D...

  3. A particular thin-shell wormhole

    Science.gov (United States)

    Övgün, A.; Sakalli, I.

    2017-01-01

    Using a black hole with scalar hair, we construct a scalar thin-shell wormhole ( TSW) in 2+1 dimensions by applying the Visser cut and paste technique. The surface stress, which is concentrated at the wormhole throat, is determined using the Darmois-Israel formalism. Using various gas models, we analyze the stability of the TSW. The stability region is changed by tuning the parameters l and u. We note that the obtained TSW originating from a black hole with scalar hair could be more stable with a particular value of the parameter l, but it still requires exotic matter.

  4. 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

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

    NARCIS (Netherlands)

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

    2016-01-01

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

  6. 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

    2016-04-07

    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.

  7. 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.

  8. Generalized Levinson theorem: Applications to electron-atom scattering

    Science.gov (United States)

    Rosenberg, Leonard; Spruch, Larry

    1996-12-01

    A recent formulation provides an absolute definition of the zero-energy phase shift δ for multiparticle single-channel scattering of a particle by a neutral compound target in a given partial wave l. This formulation, along with the minimum principle for the scattering length, leads to a determination of δ that represents a generalization of Levinson's theorem. In its original form that theorem is applicable only to potential scattering of a particle and relates δ/π to the number of bound states of that l. The generalized Levinson theorem relates δ/π for scattering in a state of given angular momentum to the number of composite bound states of that angular momentum plus a calculable number that, for a system described in the Hartree-Fock approximation, is the number of states of that angular momentum excluded by the Pauli principle. Thus, for example, for electron scattering by Na, with its (1s)2(2s)2(2p)63s configuration and with one L=0 singlet composite bound state, δ would be π+2π for s-wave singlet scattering, 0+3π for s-wave triplet scattering, and 0+π for both triplet and singlet p-wave scattering; the Pauli contribution has been listed first. The method is applicable to a number of e+/--atom and nucleon-nucleus scattering processes, but only applications of the former type are described here. We obtain the absolute zero-energy phase shifts for e--H and e--He scattering and, in the Hartree-Fock approximation for the target, for atoms that include the noble gases, the alkali-metal atoms, and, as examples, B, C, N, O, and F, which have one, two, three, four, and five p electrons, respectively, outside of closed shells. In all cases, the applications provide results in agreement with expectations.

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

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

  10. 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.

  11. 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...

  12. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Abgrall, M

    2003-01-01

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

  14. Shell-structure effects on high-pressure Rankine-Hugoniot shock adiabats

    CERN Document Server

    Pain, J C

    2007-01-01

    Rankine-Hugoniot shock adiabats are calculated in the pressure range 1 Mbar-10 Gbar with two atomic-structure models: the atom in a spherical cell and the atom in a jellium of charges. These quantum self-consistent-field models include shell effects, which have a strong impact on pressure and shock velocity along the shock adiabat. Comparisons with experimental data are presented and quantum effects are interpreted in terms of electronic specific heat. A simple analytical estimate for the maximum compression is proposed, depending on initial density, atomic weight and atomic number.

  15. 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

  16. High-resolution X-ray study of the multiple ionization of Pd atoms by fast oxygen ions

    Energy Technology Data Exchange (ETDEWEB)

    Czarnota, M.; Banas, D.; Pajek, M. [Jan Kochanowski Univ., Institute of Physics, Kielce (Poland); Berset, M.; Dousse, J.C.; Hoszowska, J.; Maillard, Y.P.; Mauron, O.; Raboud, P.A. [Fribourg Univ., Dept. of Physics (Switzerland); Chmielewska, D.; Rzadkiewicz, J.; Sujkowski, Z. [Soltan Institute for Nuclear Studies, Otwock-Swierk (Poland); Polasik, M.; Slabkowska, K. [Nicholas Copernicus Univ., Faculty of Chemistry, Torun (Poland)

    2010-04-15

    The multiple ionization of the L- and M-shells of Pd by fast oxygen ions has been studied by measuring with high-resolution the satellite structures of the Lalpha{sub 1,2} X-ray transitions. Relativistic multi-configuration Dirac-Fock (MCDF) calculations were used to interpret the complex X-ray spectrum, allowing to derive the number of L- and M-shell spectator vacancies at the moment of the X-ray emission. After correcting these numbers for the atomic vacancy rearrangement processes that take place prior to the X-ray emission, the ionization probabilities corresponding to the collision time were obtained. The latter were compared to predictions of the semiclassical approximation (SCA) and the geometrical model. The SCA calculations were performed using relativistic hydrogenic and self-consistent Dirac-Hartree-Fock (DHF) electronic wave functions. It was found that the use of the more realistic DHF wave functions in the SCA calculations leads to a much better description of the measured ionization probabilities for both the L- and M-shells. (authors)

  17. Observation of L-X-ray satellites and hypersatellites in collisions of O and Ne ions with Mo and Pd

    Energy Technology Data Exchange (ETDEWEB)

    Czarnota, M.; Pajek, M. E-mail: pajek@pu.kielce.pl; Banas, D.; Chmielewska, D.; Rzadkiewicz, J.; Sujkowski, Z.; Dousse, J.-Cl.; Berset, M.; Mauron, O.; Maillard, Y.-P.; Raboud, P.A.; Hoszowska, J.; Polasik, M.; Slabkowska, K

    2003-05-01

    The satellite structure of L{alpha}{sub 1,2} and L{beta}{sub 1} X-ray transitions in {sub 42}Mo and {sub 46}Pd induced by an impact of O and Ne ions with energies 178-376 MeV have been studied with a high-resolution von Hamos crystal spectrometer. The observed M-shell satellites of the diagram L{alpha}{sub 1,2} and L{beta}{sub 1} lines are affected mostly by one- and two-vacancy configurations for oxygen ions and much more complex multi-vacancy configurations for neon impact. The L-shell hypersatellites are clearly observed in the measured spectra, both for L{alpha}{sub 1,2} and L{beta}{sub 1} X-ray transitions. The spectra are compared with the predictions of the multi-configuration Dirac-Fock (MCDF) calculations performed for up to two additional vacancies. Such MCDF calculations reproduce the main features of the M-shell satellite structure observed for oxygen ions, but they fail to describe the X-ray spectra measured for neon ions. Clearly, more complex multi-vacancy configurations have to be included in the MCDF calculations to achieve quantitative agreement in this case. The measured X-ray satellite structure for neon ions is thus interpreted by means of a simplified binomial model based on the average MCDF X-ray shifts and independent electron picture of multiple ionization of atoms by ion impact.

  18. Plate shell structures of glass

    DEFF Research Database (Denmark)

    Bagger, Anne

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

  19. Active elastic thin shell theory for cellular deformations

    Science.gov (United States)

    Berthoumieux, Hélène; Maître, Jean-Léon; Heisenberg, Carl-Philipp; Paluch, Ewa K.; Jülicher, Frank; Salbreux, Guillaume

    2014-06-01

    We derive the equations for a thin, axisymmetric elastic shell subjected to an internal active stress giving rise to active tension and moments within the shell. We discuss the stability of a cylindrical elastic shell and its response to a localized change in internal active stress. This description is relevant to describe the cellular actomyosin cortex, a thin shell at the cell surface behaving elastically at a short timescale and subjected to active internal forces arising from myosin molecular motor activity. We show that the recent observations of cell deformation following detachment of adherent cells (Maître J-L et al 2012 Science 338 253-6) are well accounted for by this mechanical description. The actin cortex elastic and bending moduli can be obtained from a quantitative analysis of cell shapes observed in these experiments. Our approach thus provides a non-invasive, imaging-based method for the extraction of cellular physical parameters.

  20. 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....

  1. Preparation and Characterization of Nucleus/Shell TiO2/HAP Complex Nanophotocatalyst

    Institute of Scientific and Technical Information of China (English)

    Hongfei LIU; Xiaonong CHENG; Juan YANG; Xuehua YAN; Hebin SHI

    2007-01-01

    A rapid and more efficient method was developed to prepare nucleus/shell titania/hydroxyapatite (TiO2/HAP)complex nanophotocatalyst. Hydroxyapatite (5μm) which had been dissolved with 0.1 mol/L HCI was formed on the surface of the nanosized anatase titania powders by increasing the pH value of the solution at 90℃ in the water bath for only several hours .The microstructure and morphology of the resulting sample were investigated by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), energy dispersive spectrum (EDS) and atomic force microscope (AFM). The results indicated that nucleus/shell structural TiO2/HAP was formed in our experiments, and the thickness of the coating layer was about 5 nm. Photocatalytic decomposition of methyl orange was utilized to test the photocatalysis of the resulting samples and the result was compared with that of pure anatase titania powders (about 20 nm). It was shown that the photocatalytic activity of the sample was not decreased due to the coating of HAP.

  2. JAHN—A program for representing atomic and nuclear states within an isospin basis

    Science.gov (United States)

    Gaigalas, G.; Fritzsche, S.; Gaidamauskas, E.; Kiršanskas, G.; Žalandauskas, T.

    2006-07-01

    their proper spectroscopic notation. In particular, the transformation from a LS-coupled to an isospin-coupled basis is important for atoms and ions with the two open shells nlnl. Method of solution: The concept of the isospin formalism is used and explained in [V. Šimonis, PhD Thesis, Institute of Physics, Vilnius, 1982 (in Russian); Z. Rudzikas, J. Kaniauskas, Quasispin and Isospin in the Theory of Atom, Mokslas, Vilnius, 1984 (in Russian); J.M. Kaniauskas, V.Č. Šimonis, Z.B. Rudzikas, J. Phys. B: At. Mol. Phys. 20 (1987) 3267]. The coefficients of fractional parentage (CFP) in the isospin basis, the coefficients of fractional grandparentage (CFGP) in the isospin basis and the transformation matrices from a LS-coupled to an isospin-coupled basis are provided for s-, p-, d-shells. These matrices are utilized to transform symmetry-adapted configuration state functions (CSF) as obtained from the coupling of two open shells nlnl. Moreover, a simple notation is introduced to handle such symmetry functions interactively. Restrictions onto the complexity of the problem: The classification of the nlnl electron configurations provides support for the subshell angular momentum l=0,…,2 and for the occupation numbers N and N, where N and N must be in the range N=0,…,(2l+1) and N=0,…,(2l+1), respectively. The program provides the CFP and CFGP for isospin-coupled subshell states for the orbital angular momenta l=0,1 and occupation numbers N⩽2(2l+1) and for l = 2 with N⩽4, respectively. It also evaluates the transformation matrices for l=0,1 and occupation numbers N, N and N in the range N=0,…,2l; N=1,2; N=N+N⩽2(2l+1) and for l=2 and occupation numbers N, N and N in the range N=0,…,3; N=1,2; N=N+N⩽4, respectively. The transformation of an atomic state function (ASF) or configuration state function (CSF) from an LS-coupled to an isospin-coupled basis can be obtained for these orbital momenta and occupation numbers. Unusual features of the program: The program is

  3. Shell thickness and dynamic magnetic field effects on the critical phenomena of magnetic core-shell nanoparticles with spherical geometry

    Science.gov (United States)

    Yüksel, Yusuf

    2017-03-01

    By using Monte Carlo simulations for classical Heisenberg spins, we study the critical phenomena and ferrimagnetic properties of spherical nanoparticles with core-shell geometry. The particle core is composed of ferromagnetic spins, and it is coated by a ferromagnetic shell. Total size of the particle is fixed but the thickness of the shell is varied in such a way that the shell layer is grown at the expense of the core. Effects of the shell thickness, as well as dynamic magnetic field parameters such as oscillation period and field amplitude on the magnetization profiles, dynamic hysteresis loops and phase diagrams have been investigated for the present system. It has been found that as the shell thickness varies then the easy axis magnetization of the overall system may exhibit Q-, P-, L- and N- type behaviors based on the Neél terminology. We also found that three distinct anomalies originate in the thermal variation of specific heat with increasing field period. Dynamic hysteresis loops corresponding to off-axial magnetization components exhibit unconventional behavior such as double rings with symmetric shapes around the vertical axis over the h (t) = 0 line which may originate due to the stochastic resonance behavior of these components.

  4. Multi-Shell Shell Model for Heavy Nuclei

    CERN Document Server

    Sun, Y; 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 truncation scheme for the low-spin collective modes from the spherical to the well-deformed region. The new shell model is expected to describe simultaneously the single-particle and the low-lying collective excitations of all known types, yet keeping the model space tractable even for the heaviest nuclear systems.

  5. Determination of Arsenic in Matricaria chamomilla L.by microwave digestion-atomic fluorescence spectrometry%微波消解-原子荧光光谱法测定洋甘菊中砷的含量

    Institute of Scientific and Technical Information of China (English)

    辛禄德; 李强; 王建玲; 劳斐; 田树革

    2014-01-01

    Objective To develop an atomic fluorescence spectrometric method for the determination of Ar-senic in Matricaria chamomilla L.Methods Sample was digested with microwave digestion system.The Arsenic was directly analyzed by atomic fluorescence spectrometry,and the methodology of the study was investigated.Results The content of arsenic within the range of 0-10.0 μg/L the correlative coefficient of the calibration curves was over 0.999 3,the average recovery was 100.81% with RSD of 2.59% (n =6). Conclusion The method is convenient,stable,less harmful and highly sensitive.%目的:建立洋甘菊中砷含量的原子荧光光谱检测方法。方法采用微波消解样品,通过原子荧光光谱法测定洋甘菊中砷含量,并进行了方法学考察。结果砷在0~10.0μg/L (r =0.9993)范围内峰面积与浓度呈良好线性关系,平均加样回收率为100.81%,RSD=2.59%(n =6)。结论该测量方法简便、稳定、危害小、灵敏度高。

  6. Hydride formation in core-shell alloyed metal nanoparticles

    Science.gov (United States)

    Zhdanov, Vladimir P.

    2016-07-01

    The model and analysis presented are focused on hydride formation in nanoparticles with a Pd shell and a core formed by another metal. The arrangement of metal atoms is assumed to be coherent (no dislocations). The lattice strain distribution, elastic energy, and chemical potential of hydrogen atoms are scrutinized. The slope of the chemical potential (as a function of hydrogen uptake) is demonstrated to decrease with increasing the core volume, and accordingly the critical temperature for hydride formation and the corresponding hysteresis loops are predicted to decrease as well.

  7. Shell model and spectroscopic factors

    Energy Technology Data Exchange (ETDEWEB)

    Poves, P. [Madrid Univ. Autonoma and IFT, UAM/CSIC, E-28049 (Spain)

    2007-07-01

    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)

  8. Biomineralisation in Mollusc shells

    Science.gov (United States)

    Dauphin, Y.; Cuif, J. P.; Salomé, M.; Williams, C. T.

    2009-04-01

    The main components of Mollusc shells are carbonate minerals: calcite and aragonite. ACC is present in larval stages. Calcite and aragonite can be secreted simultaneously by the mantle. Despite the small number of varieties, the arrangement of the mineral components is diverse, and dependant upon the taxonomy. They are also associated with organic components much more diverse, the diversity of which reflects the large taxonomic diversity. From TGA analyses, the organic content (water included) is high (>5% in some layers). The biomineralisation process is not a passive precipitation process, but is strongly controlled by the organism. The biological-genetic control is shown by the constancy of the arrangement of the layers, the mineralogy and the microstructure in a given species. Microstructural units (i.e. tablets, prisms etc.) have shapes that do not occur in non-biogenic counterparts. Nacreous tablets, for example, are flattened on their crystallographic c axis, which is normally the axis of maximum growth rate for non-biogenic aragonite. Morever, their inner structure is species-specific: the arrangements of nacreous tablets in Gastropoda - Cephalopoda, and in Bivalvia differ, and the inner arrangement of the nacreous tablets is different in ectocochlear and endocochlear Cephalopoda. The organic-mineral ratios also differ in the various layers of a shell. Differences in chemical composition also demonstrates the biological-genetic control: for example, aragonite has a low Sr content unknown in non-biogenic samples; two aragonitic layers in a shell have different Sr and Mg contents, S is higher in calcitic layers. Decalcification releases soluble (SOM) and insoluble (IOM) organic components. Insoluble components form the main part of the intercrystalline membranes, and contain proteins, polysaccharides and lipids. Soluble phases are present within the crystals and the intercrystalline membranes. These phases are composed of more or less glycosylated proteins

  9. Penetapan Kadar Mineral Besi,Kalsium, Magnesium, dan Kalium pada Kacang Panjang (Vigna unguiculata (l) Walp.) Segar dan Rebus secara Spektrofotometri Serapan Atom

    OpenAIRE

    Simamora, Alex Leo

    2017-01-01

    Long beans (Vigna unguiculata (l). Walp) is one of the vegetables that contain minerals and vitamins is good for consumption. Parts can be consumed from this plans are fruits and young leaves. Both fruit and leaves quite a lot of nutrients that the body needs. Long beans contain vitamins and minerals, among which calcium, iron, magnesium, potassium, protein, fat, carbohydrates, phosphorus, calories, vitamin A, vitamin B and vitamin C. This study aims to determine the mineral content of iron, ...

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

    CERN Document Server

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

    2015-01-01

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

  11. Atomic physics

    Energy Technology Data Exchange (ETDEWEB)

    Livingston, A.E.; Kukla, K.; Cheng, S. [Univ. of Toledo, OH (United States)] [and others

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  12. 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.

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

    Science.gov (United States)

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

    1989-03-01

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

  14. Hg $L_{3}$ edge absorption study of the $HgBa_{2}CuO_{4}\\delta$ superconductor

    CERN Document Server

    Ziyu, Wu; Bianconi, A

    2001-01-01

    The HgBa/sub 2/CuO/sub 4+ delta / superconductor has been studied by high resolution Hg L/sub 3/ X-ray absorption near-edge structure (XANES) spectroscopy. The XANES spectrum has been simulated by full multiple-scattering calculations in order to explore the origin of different features in the experimental spectrum. The experimental Hg L/sub 3/-edge spectrum could be well reproduced by considering a cluster of 85 atoms, containing 10 shells, within a radius of about 7 AA from the central Hg atom. The low energy spectral feature in the XANES spectrum is found to be due to a transition from the Hg p states to the electronic states hybridized with higher shell Ba atoms. This implies that the transition features in the Hg L/sub 3/- edge XANES are strongly influenced by medium range order effects unlike the case of L/sub 3/ edge of 3d transition metals where short- range order is enough to describe the main transition features. (25 refs).

  15. 1: the atom. 2: radioactivity. 3: man and radiations. 4: the energy. 5: nuclear energy: fusion and fission. 6: the operation of a nuclear reactor. 7: the nuclear fuel cycle; 1: l'atome. 2: la radioactivite. 3: l'homme et les rayonnements. 4: l'energie. 5: l'energie nucleaire: fusion et fission. 6: le fonctionnement d'un reacteur nucleaire. 7: le cycle du combustible nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-07-01

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

  16. Magnetic nanohybrids loaded with bimetal core-shell-shell nanorods for bacteria capture, separation, and near-infrared photothermal treatment.

    Science.gov (United States)

    Hu, Bo; Wang, Ning; Han, Lu; Chen, Ming-Li; Wang, Jian-Hua

    2015-04-20

    A novel antimicrobial nanohybrid based on near-infrared (NIR) photothermal conversion is designed for bacteria capture, separation, and sterilization (killing). Positively charged magnetic reduced graphene oxide with modification by polyethylenimine (rGO-Fe3 O4 -PEI) is prepared and then loaded with core-shell-shell Au-Ag-Au nanorods to construct the nanohybrid rGO-Fe3 O4 -Au-Ag-Au. NIR laser irradiation melts the outer Au shell and exposes the inner Ag shell, which facilitates controlled release of the silver shell. The nanohybrids combine physical photothermal sterilization as a result of the outer Au shell with the antibacterial effect of the inner Ag shell. In addition, the nanohybrid exhibits high heat conductivity because of the rGO and rapid magnetic-separation capability that is attributable to Fe3 O4 . The nanohybrid provides a significant improvement of bactericidal efficiency with respect to bare Au-Ag-Au nanorods and facilitates the isolation of bacteria from sample matrixes. A concentration of 25 μg mL(-1) of nanohybrid causes 100 % capture and separation of Escherichia coli O157:H7 (1×10(8) cfu mL(-1) ) from an aqueous medium in 10 min. In addition, it causes a 22 °C temperature rise for the surrounding solution under NIR irradiation (785 nm, 50 mW cm(-2) ) for 10 min. With magnetic separation, 30 μg mL(-1) of nanohybrid results in a 100 % killing rate for E. coli O157:H7 cells. The facile bacteria separation and photothermal sterilization is potentially feasible for environmental and/or clinical treatment.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  18. [Inheritance of longitudinal shell bands in the snails Littorina obtusata and Littorina saxatilis (Gastropoda, Prosobranchia)].

    Science.gov (United States)

    Kozminskiĭ, E V

    2011-08-01

    The hypothesis of a monogenic inheritance of dark longitudinal bands on the shell in the gastropods Littorina obtusata and L. saxatilis was checked. One gene having two alleles proved to be responsible for the shell banding pattern in both of the species. The presence of bands was a dominant character in either case.

  19. Morphology and film formation of poly(butyl methacrylate)-polypyrrole core-shell latex particles

    NARCIS (Netherlands)

    Huijs, F; Lang, J

    2000-01-01

    Core-shell latex particles made of a poly(butyl methacrylate) (PBMA) core and a thin polypyrrole (PPy) shell were synthesized by two-stage polymerization. In the first stage, PBMA latex particles were synthesized in a semicontinuous process by free-radical polymerization. PBMA latex particles were l

  20. Ab initio based atomic scattering amplitudes and {l_brace}002{r_brace} electron structure factors of In{sub x}Ga{sub 1-x}As/GaAs quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Titantah, J T; Lamoen, D [EMAT, Universiteit Antwerpen, Groenenborgerlaan 171, 2020 Antwerpen (Belgium); Schowalter, M; Rosenauer, A, E-mail: john.titantah@ua.ac.b [Institut fuer Festkoerperphysik, Universitaet Bremen, D 28359 Bremen (Germany)

    2010-02-01

    The atomic scattering amplitudes of the various atoms of the systems Ga{sub 1-x}In{sub x}As, GaAs{sub 1-x}N{sub x} and InAs{sub 1-x}N{sub x} are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3A{sup -1}) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0A{sup -1}). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {l_brace}002{r_brace} structure factor (SF) of Ga{sub 1-x}In{sub x}As quantum wells.

  1. Penetapan Kadar Kalsium pada Daun katuk (Sauropus androgynus (L.) Merr.) dari Daerah Karo dengan Daerah Pematang Johar Secara Spektrofotometri Serapan Atom

    OpenAIRE

    Manik, Nova Driyanti

    2011-01-01

    Katuk leaf’s (Sauropus androgynus (L.) Merr.) constituting consumed vegetable among society. Besides it’s relative cheap price and easy at gets, this katuk leaf’s is good for health because contain high enough nutrient. In a life every day, people consume katuk leaf’s to fluent ASI production, estimate because level of calcium high enough that complete necessity the baby bone. The purpose of this study was to determine the level of calcium that variably between region of Karo with region o...

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

    OpenAIRE

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

    2014-01-01

    L'otite moyenne chronique cholestéatomateuse représente une entité fréquente et dangereuse en chirurgie otologique, mettant en jeu le pronostic fonctionnel auditif et exposant à des complications redoutables justifiant pleinement le recours exclusif à un traitement chirurgical et à un suivi post-opératoire rigoureux. Dans le but de mettre le point sur les caractéristiques épidémiologiques, cliniques, thérapeutiques et évolutives de cette pathologie, nous avons mené une étude rétrospective, ét...

  3. Atomic physics with highly charged ions. Progress report, FY 1989--91

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1991-08-01

    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.

  4. Testing chiral dynamics in pionic atoms

    Science.gov (United States)

    Friedman, E.; Gal, A.

    2004-01-01

    The energy dependence of chirally expanded πN isoscalar and isovector amplitudes b0(E) and b1(E), respectively, for zero-momentum off-shell pions near threshold, is used to impose the minimal substitution requirement E→E-VC on the properly constructed pion optical potential within a large-scale fit to 100 pionic-atom data across the periodic table which also include the recently established 'deeply bound' pionic atoms of Pb and Sn. This fit cannot be reconciled with the well-known free-space values of the πN threshold amplitudes. In contrast, introducing the empirically known energy dependence for on-shell pions leads to a better fit and to satisfactory values for the πN threshold amplitudes. The difference between these two approaches is briefly discussed.

  5. 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.

  6. ADSORPTION OF CONGO RED DYE ON HAZELNUT SHELLS AND DEGRADATION WITH Phanerochaete chrysosporium

    Directory of Open Access Journals (Sweden)

    Riccardo A. Carletto

    2008-11-01

    Full Text Available The present work concerns the experimental evaluation of hazelnut shells as a low cost natural biosorbent. Adsorption of the direct azo dye Congo Red was performed within a concentrations range of 50-5000 mg/L. Hazelnut shells were employed as organic support for Phanerochaete chrysosporium cultures to study the best cultural medium composition for the MnP production. The capability of Phanerochaete chrysosporium to take macronutrients as carbon and nitrogen from hazelnut shells was demonstrated. Cultures of Phanerochaete chrysosporium were carried out with hazelnut shells coming from Congo Red adsorption tests, showing that 43% of the adsorbed dye was degraded.

  7. The Atomic orbitals of the topological atom

    OpenAIRE

    Ramos-Cordoba, Eloy; Salvador Sedano, Pedro

    2013-01-01

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These c...

  8. 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)

  9. Hirshfeld atom refinement

    Directory of Open Access Journals (Sweden)

    Silvia C. Capelli

    2014-09-01

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

  10. Finite Element Investigation of a Composite Cylindrical Shell Under Transverse Load with through Thickness Shear and Snapping

    Science.gov (United States)

    1989-12-01

    Donnell, L.H. Stability of Thin-Walled Tubes Under Torsion. NACA Report 479, 1933. R-1 12. FlUgge, W. and R. Elling. " Singular Solutions for Shallow...Approximation Theory for Thin Shells. NASA TR-24, 1959. 33. Sanders, J.L. " Singular Solutions to the Shallow Shell Equations," Journal of Applied Mechanics

  11. Measurement of L-Shell X-ray Production Cross Section of Pb by Fluorine Ion Bombardment%氟离子碰撞引起铅原子L壳层X射线产生截面的实验测量

    Institute of Scientific and Technical Information of China (English)

    吕牛; 常宏伟; 张艳萍; 徐进章; 杜树斌

    2011-01-01

    实验测量了20-50 MeV的F离子碰撞Pb原子产生的L壳层X射线,研究了Pb的L各支壳层X射线产生截面δ(L1),6(Lα), (Lβ),δ(Lγ)和δ(Ltot)与入射离子能量的关系.结果显示:在本能区范围内,Pb原子发射L壳层X射线产生截面随人射离子能量的增加而增加.利用L壳层的辐射跃迁几率、Coster-Kronig跃迁率和L亚壳层的荧光产额将平面波波恩近似(PWBA)和ECPSSR理论计算的电离截面转换为L层X射线产生截面,并与实验结果相比较.结果表明,δ(L1),δ(Lα),δ(Lβ),δ(Lγ)和δ(Ltot)实验测量值与PWBA理论计算值差别很大,ECPSSR理论计算值与δ(L0)实验值符合很好,与δ(L1),δ(Lβ)的实验值差别较小,但与δ(Lγ)的实验值差别较大.%Production cross section of Pb L-shell X-ray induced by 20-50 MeV F5+ ion was measured, and the relationship of X-ray production cross section and impact ion energy was represented.At the same time, inner-shell ionization cross sections given by plane-wave Born approximation (PWBA) theory and the ECPSSR theory were transformed to L-subshell X-ray production cross section by using radiative transition probability, Coster-Kronig transition probability and fluorescence yield.The results were compared with the experimental results.It shows that reasonable agreement between theory and experiment is observed, and the ECPSSR theory is closer to the experiment.

  12. Probing atomic and molecular dynamics from within

    Energy Technology Data Exchange (ETDEWEB)

    Berrah, N. E-mail: berrah@wmich.edu; Bilodeau, R.C.; Ackerman, G.; Bozek, J.D.; Turri, G.; Kukk, E.; Cheng, W.T.; Snell, G

    2004-08-01

    We have investigated with unprecedented levels of detail photodetachment of negative ions and photoionization of molecules using the brightness, spectral resolution, and tunability of the Advanced Light Source at Lawrence Berkeley National Laboratory. In particular, we report here on investigations carried out in K-shell photodetachment of atomic Li{sup -} and He{sup -}. We also report on angular distribution of core-level iodine 4d photoelectrons from the HI molecule. In both cases comparison with calculations is discussed.

  13. 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

  14. 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.

  15. Atomically precise gold nanocrystal molecules with surface plasmon resonance.

    Science.gov (United States)

    Qian, Huifeng; Zhu, Yan; Jin, Rongchao

    2012-01-17

    Since Faraday's pioneering work on gold colloids, tremendous scientific research on plasmonic gold nanoparticles has been carried out, but no atomically precise Au nanocrystals have been achieved. This work reports the first example of gold nanocrystal molecules. Mass spectrometry analysis has determined its formula to be Au(333)(SR)(79) (R = CH(2)CH(2)Ph). This magic sized nanocrystal molecule exhibits fcc-crystallinity and surface plasmon resonance at approximately 520 nm, hence, a metallic nanomolecule. Simulations have revealed that atomic shell closing largely contributes to the particular robustness of Au(333)(SR)(79), albeit the number of free electrons (i.e., 333 - 79 = 254) is also consistent with electron shell closing based on calculations using a confined free electron model. Guided by the atomic shell closing growth mode, we have also found the next larger size of extraordinarily stability to be Au(~530)(SR)(~100) after a size-focusing selection--which selects the robust size available in the starting polydisperse nanoparticles. This work clearly demonstrates that atomically precise nanocrystal molecules are achievable and that the factor of atomic shell closing contributes to their extraordinary stability compared to other sizes. Overall, this work opens up new opportunities for investigating many fundamental issues of nanocrystals, such as the formation of metallic state, and will have potential impact on condensed matter physics, nanochemistry, and catalysis as well.

  16. 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.

  17. Modeling of the growth of GaAs–AlGaAs core–shell nanowires

    Science.gov (United States)

    Voorhees, Peter W; Davis, Stephen H

    2017-01-01

    Heterostructured GaAs–AlGaAs core–shell nanowires with have attracted much attention because of their significant advantages and great potential for creating high performance nanophotonics and nanoelectronics. The spontaneous formation of Al-rich stripes along certain crystallographic directions and quantum dots near the apexes of the shell are observed in AlGaAs shells. Controlling the formation of these core–shell heterostructures remains challenging. A two-dimensional model valid on the wire cross section, that accounts for capillarity in the faceted surface limit and deposition has been developed for the evolution of the shell morphology and concentration in AlxGa1− xAs alloys. The model includes a completely faceted shell–vapor interface. The objective is to understand the mechanisms of the formation of the radial heterostructures (Al-rich stripes and Al-poor quantum dots) in the nanowire shell. There are two issues that need to be understood. One is the mechanism responsible for the morphological evolution of the shells. Analysis and simulation results suggest that deposition introduces facets not present on the equilibrium Wulff shapes. A balance between diffusion and deposition yields the small facets with sizes varying slowly over time, which yield stripe structures, whereas deposition-dominated growth can lead to quantum-dot structures observed in experiments. There is no self-limiting facet size in this case. The other issue is the mechanism responsible for the segregation of Al atoms in the shells. It is found that the mobility difference of the atoms on the {112} and {110} facets together determine the non-uniform concentration of the atoms in the shell. In particular, even though the mobility of Al on {110} facets is smaller than that of Ga, Al-rich stripes are predicted to form along the {112} facets when the difference of the mobilities of Al and Ga atoms is sufficiently large on {112} facets. As the size of the shell increases, deposition

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

    Science.gov (United States)

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

    2017-03-29

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

  19. 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.

  20. 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.

  1. Rotating thin-shell wormhole

    Science.gov (United States)

    Ovgun, A.

    2016-11-01

    We construct a rotating thin-shell wormhole using a Myers-Perry black hole in five dimensions, using the Darmois-Israel junction conditions. The stability of the wormhole is analyzed under perturbations. We find that exotic matter is required at the throat of the wormhole to keep it stable. Our analysis shows that stability of the rotating thin-shell wormhole is possible if suitable parameter values are chosen.

  2. Atomic magnetometer

    Science.gov (United States)

    Schwindt, Peter [Albuquerque, NM; Johnson, Cort N [Albuquerque, NM

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  3. Stellar Populations of Shell Galaxies

    CERN Document Server

    Carlsten, S; Zenteno, A

    2016-01-01

    We present a study of the inner (out to $\\sim$1 R$_{\\mathrm{eff}}$) stellar populations of 9 shell galaxies. We derive stellar population parameters from long slit spectra by both analyzing the Lick indices of the galaxies and by fitting Single Stellar Population model spectra to the full galaxy spectra. The results from the two methods agree reasonably well. Many of the shell galaxies in our sample appear to have lower central $\\mathrm{Mg}_{2}$ index values than non-shell galaxies of the same central velocity dispersion, which is likely due to a past interaction event. Our shell galaxy sample shows a relation between central metallicity and velocity dispersion that is consistent with previous samples of non-shell galaxies. Analyzing the metallicity gradients in our sample, we find an average metallicity gradient of -0.16$\\pm$0.10 dex per decade in radius. We compare this with formation models to constrain the merging history of shell galaxies. We argue that our galaxies likely have undergone major mergers in...

  4. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

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

  5. Furfural production from fruit shells by acid-catalyzed hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Demirbas, A. [Selcuk Univ., Konya (Turkey). Dept. of Chemical Engineering

    2006-01-21

    Pentosans are hydrolyzed to pentoses by dilute mineral acid hydrolysis. The main source of pentosans is hemicelluloses. Furfural can be produced by the acid hydrolysis of pentosan from fruit shells such as hazelnut, sunflower, walnut, and almond of agricultural wastes. Further dehydration reactions of the pentoses yield furfural. The hydrolysis of each shell sample was carried out in dilute sulfuric acid (0.05 to 0.200 mol/l), at high temperature (450-525 K), and short reaction times (from 30 to 600 s). (author)

  6. 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.

  7. The fission time scale measured with an atomic clock

    NARCIS (Netherlands)

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

    2003-01-01

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

  8. Vibration of in-vacuo elliptic cylindrical shells

    Science.gov (United States)

    Boisvert, Jeffrey E.; Hayek, Sabih I.

    2003-10-01

    The equations of motion for the vibration of elliptic cylindrical shells of constant thickness were derived using a Galerkin approach. The elastic strain energy density used in this derivation has seven independent kinematic variables: three displacements, two thickness-shear, and two thickness-stretch. The resulting seven coupled algebraic equations are symmetric and positive definite. The shell has a constant thickness, h, finite length, L, and is simply supported at its ends, (z=0,L), where z is the axial coordinate. The elliptic cross-section is defined by the shape parameter, a, and the half-length of the major axis, l. The modal solutions are expanded in a doubly infinite series of comparison functions in terms of circular functions in the angular and axial coordinates. The natural frequencies and the mode shapes were obtained by the Galerkin method. Numerical results were obtained for several h/l and L/l ratios, and various shape parameters, including the limiting case of a simply supported cylindrical shell (a=100). [Work supported by ONR and the Navy/ASEE Summer Faculty Program.

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

    Energy Technology Data Exchange (ETDEWEB)

    Rodary, E

    2003-01-01

    The glide of an edge dislocation in solid solutions is studied by molecular dynamics, at fixed temperature and imposed external stress. We have optimized an EAM potential for Ni(1 a 8% A1): it well reproduces the lattice expansion, local atomic order, stacking fault energy as a function of composition, as well as the elastic properties of the {gamma}' phase with L1{sub 2} structure. On increasing the stress, the dislocation is first immobile, then glides with a velocity proportional to the stress and the velocity saturates on reaching the transverse sound velocity. However, only beyond a static threshold stress, {sigma}{sub s}, does the dislocation glide a distance large enough to allow macroscopic shear; the linear part of the velocity-stress curve extrapolates to zero at a dynamical threshold stress, {sigma}{sub d}, The friction coefficient, and the threshold stresses ({sigma}{sub s} and {sigma}{sub d}), increase with the A1 concentration and decrease with temperature (300 and 500 K). Close to the critical shear stress, {sigma}{sub s}, the dislocation glide is analysed with a 'stop and go' model. The latter yields the flight velocity between obstacles, the mean obstacle density and the distribution of the waiting time on each obstacle as a function of stress, composition and temperature. The obstacle to the glide is proposed to be the strong repulsion between Al atoms brought into nearest neighbour position by the glide process, and not the dislocation-solute interaction. The microscopic parameters so defined are introduced into a micro-mechanical model, which well reproduces the known behaviour of nickel base solid solutions. (author)

  10. Shell growth of unfed oysters in the laboratory: a sublethal bioassay system for pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Conger, K.A.; Swift, M.L.; Reeves, J.B. III; Lakshmanan, S.

    1978-01-16

    Unfed oysters, Crassostrea virginica Gmelin, in 12 g/l commercial grade artificial sea-water supplemented with calcium bicarbonate (approximately 7 mM Ca/sup 2 +/ and HCO/sub 3//sup -/) deposit shell for four to six weeks. A no-growth critical calcium ion concentration of 1.5 mM was determined in this study. A simple sublethal bioassay system can be developed utilizing the observed shell growth. Significant (p < 0.001) inhibition of shell deposition in oysters subjected to an initial concentration of 0.25 mg Cd/sup 2 +//l demonstrates the efficacy of the proposed method.

  11. Removal of Arsenic with Oyster Shell: Experimental Measurements

    Directory of Open Access Journals (Sweden)

    Md. Atiqur Rahman, , and

    2008-12-01

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

  12. SnO2@TiO2 double-shell nanotubes for a lithium ion battery anode with excellent high rate cyclability.

    Science.gov (United States)

    Jeun, Jeong-Hoon; Park, Kyu-Young; Kim, Dai-Hong; Kim, Won-Sik; Kim, Hong-Chan; Lee, Byoung-Sun; Kim, Honggu; Yu, Woong-Ryeol; Kang, Kisuk; Hong, Seong-Hyeon

    2013-09-21

    SnO2@TiO2 double-shell nanotubes have been facilely synthesized by atomic layer deposition (ALD) using electrospun PAN nanofibers as templates. The double-shell nanotubes exhibited excellent high rate cyclability for lithium ion batteries. The retention of hollow structures during cycling was demonstrated.

  13. Application of atomic absorption spectrophotometry to the rapid analysis of some elements in uranium; Application de la spectrophotometrie d'absorption atomique a l'analyse rapide de quelques elements dans l'uranium

    Energy Technology Data Exchange (ETDEWEB)

    Buffereau, M.; Robichet, J. [Commissariat a l' Energie Atomique, Bruyeres-le-Chatel (France). Centre d' Etudes

    1969-07-01

    After a brief review of the main conditions to analyse traces impurities in uranium, characteristics of the sample solution and analytical conditions in presence of uranium are studied. Some interferences are shown and comparative results are given. Limits of application of the method are discussed. (authors) [French] Apres avoir rapidement passe en revue les principales conditions d'application de la spectrophotometrie d'absorption atomique au dosage d'impurete dans l'uranium, on etudie les caracteristiques de la solution d'analyse et les conditions du dosage en presence d'uranium. On indique quelques interferences. Apres avoir mentionne quelques resultats comparatifs, on discute les limites d'application de la methode. (auteurs)

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

    Science.gov (United States)

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

    2017-02-22

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

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

    Science.gov (United States)

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

    2017-01-01

    Manipulating structure, defects and composition of a material at the atomic scale for enhancing its physical or mechanical properties is referred to as nanostructuring. Here, by combining advanced microscopy techniques, we unveil how formation of highly regular nano-arrays of nanoparticles doubles the strength of an Fe-based alloy, doped with Ti, Mo, and V, from 500 MPa to 1 GPa, upon prolonged heat treatment. The nanoparticles form at moving heterophase interfaces during cooling from the high-temperature face-centered cubic austenite to the body-centered cubic ferrite phase. We observe MoC and TiC nanoparticles at early precipitation stages as well as core-shell nanoparticles with a Ti-C rich core and a Mo-V rich shell at later precipitation stages. The core-shell structure hampers particle coarsening, enhancing the material’s strength. Designing such highly organized metallic core-shell nanoparticle arrays provides a new pathway for developing a wide range of stable nano-architectured engineering metallic alloys with drastically enhanced properties. PMID:28225022

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

    Science.gov (United States)

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

    2016-07-01

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

  17. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Marchix, A

    2007-11-15

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

  19. A Procedure to Obtain the Effective Nuclear Charge from the Atomic Spectrum of Sodium

    Science.gov (United States)

    Sala*, O.; Araki, Koiti; Noda, L. K.

    1999-09-01

    The penetration of the valence electron orbitals of the alkali metals into their inner shells and its effect on the energy levels can be considered through two methods that take into account modifications of the hydrogen formula (one-electron system). One of them considers the quantum defect, modifying the quantum number n; the other considers the effective nuclear charge Z* replacing the nuclear charge Z. The method using the quantum defect is widely used because this quantity is practically constant for a given angular momentum quantum number l. However, the method using effective nuclear charge is more realistic because it explains many atomic and molecular properties - but the effective nuclear charge depends on l as well as on the principal quantum number n. This article describes a relatively simple graphical procedure to calculate the effective nuclear charges experienced by the sodium valence electron from its atomic spectrum. A relation of Z* with n for a given l is obtained and the Z* values for all states of the valence electron are found; the energy terms can also be determined. The calculations can be performed by using common spreadsheet software.

  20. Studies on Thin-shells and Thin-shell Wormholes

    CERN Document Server

    Övgün, Ali

    2016-01-01

    The study of traversable wormholes is very hot topic for the past 30 years. One of the best possible way to make traversable wormhole is using the thin-shells to cut and paste two spacetime which has tunnel from one region of space-time to another, through which a traveler might freely pass in wormhole throat. These geometries need an exotic matter which involves a stress-energy tensor that violates the null energy condition. However, this method can be used to minimize the amount of the exotic matter. The goal of this thesis study is to study on thin-shell and thin-shell wormholes in general relativity in 2+1 and 3+1 dimensions. We also investigate the stability of such objects.

  1. Black hole entropy off-shell vs on-shell

    CERN Document Server

    Frolov, V P; Zelnikov, A I

    1996-01-01

    Different methods of calculation of quantum corrections to the thermodynamical characteristics of a black hole are discussed and compared. The relation between on-shell and off-shell approaches is established. The off-shell methods are used to explicitly demonstrate that the thermodynamical entropy S^{TD} of a black hole, defined by the first thermodynamical law, differs from the statistical-mechanical entropy S^{SM}, determined as S^{SM}=-\\mbox{Tr}(\\hat{\\rho}^H\\ln\\hat{\\rho}^H) for the density matrix \\hat{\\rho}^H of a black hole. It is shown that the observable thermodynamical black hole entropy can be presented in the form S^{TD}=\\pi {\\bar r}_+^2+S^{SM}-S^{SM}_{Rindler}. Here {\\bar r}_+ is the radius of the horizon shifted because of the quantum backreaction effect, and S^{SM}_{Rindler} is the statistical-mechanical entropy calculated in the Rindler space.

  2. Rydberg States of Atoms and Molecules

    Science.gov (United States)

    Stebbings, R. F.; Dunning, F. B.

    2011-03-01

    List of contributors; Preface; 1. Rydberg atoms in astrophysics A. Dalgarno; 2. Theoretical studies of hydrogen Rydberg atoms in electric fields R. J. Damburg and V. V. Kolosov; 3. Rydberg atoms in strong fields D. Kleppner, Michael G. Littman and Myron L. Zimmerman; 4. Spectroscopy of one- and two-electron Rydberg atoms C. Fabre and S. Haroche; 5. Interaction of Rydberg atoms with blackbody radiation T. F. Gallagher; 6. Theoretical approaches to low-energy collisions of Rydberg atoms with atoms and ions A. P. Hickman, R. E. Olson and J. Pascale; 7. Experimental studies of the interaction of Rydberg atoms with atomic species at thermal energies F. Gounand and J. Berlande; 8. Theoretical studies of collisions of Rydberg atoms with molecules Michio Matsuzawa; 9. Experimental studies of thermal-energy collisions of Rydberg atoms with molecules F. B. Dunning and R. F. Stebbings; 10. High-Rydberg molecules Robert S. Freund; 11. Theory of Rydberg collisions with electrons, ions and neutrals M. R. Flannery; 12. Experimental studies of the interactions of Rydberg atoms with charged particles J. -F. Delpech; 13. Rydberg studies using fast beams Peter M. Koch; Index.

  3. Gravitational Wave Detection with Single-Laser Atom Interferometers

    Science.gov (United States)

    Yu, Nan; Tinto, Massimo

    2011-01-01

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

  4. Synthesis of core-shell iron nanoparticles from decomposition of Fe-Sn nanocomposite and studies on their microwave absorption properties

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, Vatsana; Patra, Manoj K.; Shukla, Anuj; Saini, Lokesh; Songara, Sandhya; Jani, Rajkumar; Vadera, Sampat R.; Kumar, Narendra, E-mail: nkjainjd@yahoo.com [Defence Laboratory (India)

    2012-12-15

    Core-shell iron nanoparticles have been synthesized by pyrolysis of nanocomposite of oxides of iron-tin (Fe-Sn). The core-shell nanoparticles of phase pure iron in carbonaceous shell are formed only at very low concentration of tin (0.0011 mol) in the nanocomposite sample. From different studies viz. X-ray diffraction, high-resolution transmission electron microscopy, atomic force microscopy, and Raman spectroscopy, it has been established that core-shell nanostructures have been formed with Fe as core and amorphous carbon as the shell. The heating of nanocomposite at different temperatures up to 900 Degree-Sign C revealed very interesting dynamics of formation of core-shell structure wherein above 650 Degree-Sign C the iron carbide phase decomposes and carbon atoms move out to form an amorphous shell around iron nanoparticles. This process of formation of core-shell structures is quite different from conventional way wherein synthesis of core material precedes formation of shell in two different steps. The microwave absorption properties of core-shell nanoparticles have been studied by making their composites in nitrile butadiene rubber. Reflection loss simulation studies show high values in the X and Ku bands of microwave region. The frequency of maximum return loss can be tuned through variation of composition and thickness of composite layer.

  5. The photochemistry of carbon-rich circumstellar shells

    Science.gov (United States)

    Huggins, P. J.; Glassgold, A. E.

    1982-01-01

    The effect of ambient ultraviolet photons on the chemical structure of carbon-rich, circumstellar envelopes is investigated with a simple formulation of the time-dependent, photochemical rate equations valid for optically thick shells. Molecules injected into the shielded inner envelope are broken down when they reach the outer regions where ambient ultraviolet photons can penetrate. A quantitative description of the abundance variations is obtained for the case of uniform expansion by detailed consideration of the shielding of the radiation by the dust and molecules of the envelope. Representative results are presented to illustrate the role of shielding in defining the extent of molecular envelopes, the formation of C I and C II shells by photodestruction of carbon-bearing molecules, and the development of layered chemical structures from the photobreakup of polyatomic molecules. Photochemistry makes the outer parts of thick, carbon-rich envelopes into complex regions containing radicals, ions, and atoms which are of considerable observational and theoretical interest.

  6. 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.

  7. Electronic shell and supershell structure in graphene flakes

    CERN Document Server

    Manninen, M; Akola, J

    2008-01-01

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

  8. 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

    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......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...

  9. "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…

  10. Effects of multiple resistive shells and transient electromagnetic torque on the dynamics of mode locking in reversed field pinch plasmas

    Science.gov (United States)

    Guo, S. C.; Chu, M. S.

    2002-11-01

    The effects of multiple resistive shells and transient electromagnetic torque on the dynamics of mode locking in the reversed field pinch (RFP) plasmas are studied. Most RFP machines are equipped with one or more metal shells outside of the vacuum vessel. These shells have finite resistivities. The eddy currents induced in each of the shells contribute to the braking electromagnetic (EM) torque which slows down the plasma rotation. In this work we study the electromagnetic torque acting on the plasma (tearing) modes produced by a system of resistive shells. These shells may consist of several nested thin shells or several thin shells enclosed within a thick shell. The dynamics of the plasma mode is investigated by balancing the EM torque from the resistive shells with the plasma viscous torque. Both the steady state theory and the time-dependent theory are developed. The steady state theory is shown to provide an accurate account of the resultant EM torque if (dω/dt)ω-2≪1 and the time scale of interest is much longer than the response (L/R) time of the shell. Otherwise, the transient theory should be adopted. As applications, the steady state theory is used to evaluate the changes of the EM torque response from the resistive shells in two variants of two RFP machines: (1) modification from Reversed Field Experiment (RFX) [Gnesotto et al., Fusion Eng. Des. 25, 335 (1995)] to the modified RFX: both of them are equipped with one thin shell plus one thick shell; (2) modification from Extrap T2 to Extrap T2R [Brunsell et al., Plasma Phys. Controlled Fusion 43, 1457 (2001)]: both of them are equipped with two thin shells. The transient theory has been applied numerically to study the time evolution of the EM torque during the unlocking of a locked tearing mode in the modified RFX.

  11. CRYSTALLIZATION AND MELTING OF POLY(ETHYLENE OXIDE) CONFINED IN NANOSTRUCTURED PARTICLES WITH CROSS-LINKED SHELLS OF POLYBUTADIENE

    Institute of Scientific and Technical Information of China (English)

    Wei-ping Gao; Yu Bai; Er-qiang Chen; Qi-feng Zhou

    2005-01-01

    Small fixed aggregates of a poly(ethylene oxide)-block-polybutadiene diblock copolymer (PEO-b-PB) in THF solution were obtained by adding a selective solvent for PB blocks, followed by cross-linking the PB shells. The morphologies of the nanostructured particles with a cross-linked shell were investigated by atomic force microscopy and transmission electron microscopy. The average behaviors of the PEO crystallization and melting confined within the nanostructured particles were studied by using differential scanning calorimetry experiments. For the deeply cross-linked sample (SCL-l), the crystallization of the PEO blocks was fully confined. The individual nanoparticles only crystallized at very low crystallization temperatures (TcS), wherein the homogenous primary nucleation determined the overall crystallization rate. For the lightly cross-linked sample (SCL-2), the confinement effect was Tc dependent. At Tc ≤ 42℃, the crystallization and melting behaviors of SCL-2 were similar to those of the pure PEO-b-PB diblock copolymer. At Tc > 42℃,SCL-2 could form PEO lamellae thicker than those of the pure PEO-b-PB crystallized at the same Tc.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Time scales for formation and spreading of velocity shells of pickup ions in the solar wind

    Science.gov (United States)

    Gaffey, J. D., Jr.; Wu, C. S.; Winske, D.

    1988-01-01

    This paper discusses the process of assimilation (pickup) by the solar wind of newly ionized atoms and molecules. Generally, the pickup process is considered to evolve in three stages: (1) the initial interaction of newly created ions with the interplanetary magnetic field to form the ring-beam distribution; (2) pitch angle scattering of the ring beam to form a hollow shell; and (3) slower velocity diffusion to form a partially filled-in shell distribution. Using numerical simulations of turbulence such as would occur naturally in the solar wind and such as would be encountered near cometary bow shocks, the processes of shell formation and evolution are studied, and the results are used to estimate the time scales for shell formation and diffusion in several situations of recent observational interest, the interstellar He data obtained by AMPTE and cometary ion pickup distributions obtained by various spacecraft at comets Giacobini-Zinner and Halley.

  17. Productions of hollow atoms from solids irradiated by high intensity laser

    Energy Technology Data Exchange (ETDEWEB)

    Moribayashi, K.; Sasaki, A.; Zhidkov, A. [Advanced Photon Research Center, Kansai Research Establishment, Japan Atomic Energy Research Inst. (Japan)

    2001-07-01

    The production of hollow atoms through the collisions of fast electrons with a solid is studied. These electrons are produced by high-intensity short-pulse laser irradiation on a solid. The inner-shell ionization and excitation processes by the fast electron impact are investigated. It is found that ionization processes give more significant contribution to the production of hollow atoms. (orig.)

  18. Glass-NiP-CoFeP triplex-shell particles with hollow cores and tunable magnetic properties.

    Science.gov (United States)

    An, Zhenguo; Zhang, Jingjie

    2013-02-01

    Low density (0.55-0.92g/mL, depending on the shell thickness and composition) glass-metal-metal triplex-shell hollow particles (TSHP) were prepared by a three-step route. First, micrometer-sized silicate glass particles with hollow cores, uniform shells, and high sphericity were prepared through spray drying and subsequent melting. NiP shell was uniformly assembled to the previously obtained glass hollow particles by silver seed induced chemical reduction of Ni(2+) by sodium hypophosphite, and glass-NiP double-shell hollow particles (DSHP) with compact and uniform shells were formed. The as-formed NiP particles further acted as the seeds for the directed formation and assembly of the CoFeP shell on the NiP shell to form the final glass-NiP-CoFeP triplex-shell hollow particles (TSHP). The influences of the component of the reaction system on the composition, structure, and magnetic properties of the hollow particles were studied. The multishell hollow particles thus obtained may have some promising applications in the fields of low-density magnetic materials, conduction, microwave absorbers, catalysis, etc. This work provides an additional strategy to fabricate multishell structured hollow particles with tailored shell composition and magnetic properties, which can be extended to the controlled preparation of multishell composite particles with the shells consisting of metal, oxides, or other compounds.

  19. Estimation of Schiff moments using the nuclear shell model

    Science.gov (United States)

    Teruya, Eri; Yoshinaga, Naotaka; Arai, Ryoichi; Higashiyama, Koji

    2014-09-01

    The existence of finite permanent electric dipole moment (EDM) of an elementary particle or an atom indicates violation of time-reversal symmetry. The time reversal invariance implies violation of charge and parity symmetry through the CPT theorem. The predicted fundamental particle's EDMs are too small to be observed in the Standard Model. However, some models beyond the Standard Model produce much larger EDMs which may be observed in future. Thus, if we observe finite EDMs, we can conclude that we need a new extended model for the Standard Model and the specific value of an EDM gives a constraint on constructing a new model. Experimental efforts searching for atomic EDMs are now in progress. The EDM of a neutral atom is mainly induced by the nuclear Schiff moment, since the electron EDM is very small and the nuclear EDM is shielded by outside electrons owing to the Schiff theorem. In this work we estimate the Schiff moments for the lowest 1/2+ states of Xe isotopes around the mass 130. The nuclear wave functions beyond mean-field theories are calculated in terms of the nuclear shell model. We discuss influences of core excitations and over shell excitations on the Schiff moments.

  20. Windows PowerShell 20 Bible

    CERN Document Server

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

    2011-01-01

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

  1. Atomic and dynamic insights into the beneficial effect of the 1,4-naphthoquinon-2-yl-L-tryptophan inhibitor on Alzheimer's Aβ1-42 dimer in terms of aggregation and toxicity.

    Science.gov (United States)

    Zhang, Tong; Xu, Weixin; Mu, Yuguang; Derreumaux, Philippe

    2014-02-19

    Aggregation of the amyloid β protein (Aβ) peptide with 40 or 42 residues is one key feature in Alzheimer's disease (AD). The 1,4-naphthoquinon-2-yl-L-tryptophan (NQTrp) molecule was reported to alter Aβ self-assembly and reduce toxicity. Though nuclear magnetic resonance experiments and various simulations provided atomic information about the interaction of NQTrp with Aβ peptides spanning the regions of residues 12-28 and 17-42, none of these studies were conducted on the full-length Aβ1-42 peptide. To this end, we performed extensive atomistic replica exchange molecular dynamics simulations of Aβ1-42 dimer with two NQTrp molecules in explicit solvent, by using a force field known to fold diverse proteins correctly. The interactions between NQTrp and Aβ1-42, which change the Aβ interface by reducing most of the intermolecular contacts, are found to be very dynamic and multiple, leading to many transient binding sites. The most favorable binding residues are Arg5, Asp7, Tyr10, His13, Lys16, Lys18, Phe19/Phe20, and Leu34/Met35, providing therefore a completely different picture from in vitro and in silico experiments with NQTrp with shorter Aβ fragments. Importantly, the 10 hot residues that we identified explain the beneficial effect of NQTrp in reducing both the level of Aβ1-42 aggregation and toxicity. Our results also indicate that there is room to design more efficient drugs targeting Aβ1-42 dimer against AD.

  2. Kinetics of Hg(II) adsorption and desorption in calcined mussel shells.

    Science.gov (United States)

    Peña-Rodríguez, Susana; Fernández-Calviño, David; Nóvoa-Muñoz, Juan Carlos; Arias-Estévez, Manuel; Núñez-Delgado, Avelino; Fernández-Sanjurjo, María José; Alvarez-Rodríguez, Esperanza

    2010-08-15

    The potential use of calcined mussel shells to purify water contaminated with mercury was evaluated. The Hg(II) adsorption and desorption kinetics were studied in batch-type and stirred-flow chamber experiments. The adsorption/desorption experiments revealed some differences between the batches of shells used. The batch of shells that displayed the greatest capacity to adsorb Hg(II), via a highly irreversible reaction, also contained more Fe and Al than the other batches. The results of the stirred-flow chamber experiments indicated a high degree of irreversibility in the process of Hg(II) adsorption in the mussel shell, and that Hg(II) was rapidly retained. The results of these experiments also revealed that the efficiency of depuration differed depending on the length of time that the system was used: when the system was operated for 55 min, depurating 162 mL of inflowing water g(-1) mussel shell, a 90% reduction in the initial concentration of Hg(II) was obtained; use of the system for 90 min, depurating 265 mL water g(-1) mussel shell, produced a 75% reduction in the initial Hg(II), and use of the system for 162.5 min, depurating 487 mL of water g(-1) mussel shell, resulted in a 50% reduction in the initial Hg(II).

  3. 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.

  4. AI-Based Diagnostic Shell

    Directory of Open Access Journals (Sweden)

    R. L. Verma

    1989-01-01

    Full Text Available This paper datails the design and implementation of an AI-based diagnostic shell. The shell has a user-interface which takes in the complaint and aids the user throughout the consultation. The 'expert knowledge' is acquired and encoded in the form of 'IF-THEN' rules, The control mechanism routes through the rules chaining first backwards to identify a fault and then forwards to confirm it.Explanation facilities have been provided to enable the user query the reason for any question asked, a facility to go back and re-answer any previous question, and a trace and explanation of the path of reasoning.This shell was developed and first used for the diagnosis of a digital exchange. It was then applied for the fault-finding of the moving target indicator used in the radar.

  5. Shell Models of Magnetohydrodynamic Turbulence

    CERN Document Server

    Plunian, Franck; Frick, Peter

    2012-01-01

    Shell models of hydrodynamic turbulence originated in the seventies. Their main aim was to describe the statistics of homogeneous and isotropic turbulence in spectral space, using a simple set of ordinary differential equations. In the eighties, shell models of magnetohydrodynamic (MHD) turbulence emerged based on the same principles as their hydrodynamic counter-part but also incorporating interactions between magnetic and velocity fields. In recent years, significant improvements have been made such as the inclusion of non-local interactions and appropriate definitions for helicities. Though shell models cannot account for the spatial complexity of MHD turbulence, their dynamics are not over simplified and do reflect those of real MHD turbulence including intermittency or chaotic reversals of large-scale modes. Furthermore, these models use realistic values for dimensionless parameters (high kinetic and magnetic Reynolds numbers, low or high magnetic Prandtl number) allowing extended inertial range and accu...

  6. Search for Pauli exclusion principle violating atomic transitions and electron decay with a p-type point contact germanium detector

    Energy Technology Data Exchange (ETDEWEB)

    Abgrall, N.; Arnquist, I. J.; Avignone, F. T.; Barabash, A. S.; Bertrand, F. E.; Bradley, A. W.; Brudanin, V.; Busch, M.; Buuck, M.; Caldwell, A. S.; Chan, Y. -D.; Christofferson, C. D.; Chu, P. -H.; Cuesta, C.; Detwiler, J. A.; Dunagan, C.; Efremenko, Yu.; Ejiri, H.; Elliott, S. R.; Finnerty, P. S.; Galindo-Uribarri, A.; Gilliss, T.; Giovanetti, G. K.; Goett, J.; Green, M. P.; Gruszko, J.; Guinn, I. S.; Guiseppe, V. E.; Henning, R.; Hoppe, E. W.; Howard, S.; Howe, M. A.; Jasinski, B. R.; Keeter, K. J.; Kidd, M. F.; Konovalov, S. I.; Kouzes, R. T.; LaFerriere, B. D.; Leon, J.; MacMullin, J.; Martin, R. D.; Massarczyk, R.; Meijer, S. J.; Mertens, S.; Orrell, J. L.; O’Shaughnessy, C.; Poon, A. W. P.; Radford, D. C.; Rager, J.; Rielage, K.; Robertson, R. G. H.; Romero-Romero, E.; Shanks, B.; Shirchenko, M.; Suriano, A. M.; Tedeschi, D.; Trimble, J. E.; Varner, R. L.; Vasilyev, S.; Vetter, K.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Yu, C. -H.; Yumatov, V.; Zhitnikov, I.

    2016-11-11

    A search for Pauli-exclusion-principle-violating K electron transitions was performed using 89.5 kg-d of data collected with a p-type point contact high-purity germanium detector operated at the Kimballton Underground Research Facility. A lower limit on the transition lifetime of s at 90% C.L. was set by looking for a peak at 10.6 keV resulting from the X-ray and Auger electrons present following the transition. A similar analysis was done to look for the decay of atomic K-shell electrons into neutrinos, resulting in a lower limit of s at 90% C.L. It is estimated that the Majorana Demonstrator, a 44 kg array of p-type point contact detectors that will search for the neutrinoless double-beta decay of Ge, could improve upon these exclusion limits by an order of magnitude after three years of operation.

  7. 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...

  8. 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.

  9. Stability of facetted translation shells

    DEFF Research Database (Denmark)

    Almegaard, Henrik; Vanggaard, Ole

    2004-01-01

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

  10. Design of a stabilizing shell for KTX

    Energy Technology Data Exchange (ETDEWEB)

    You, Wei [CAS Key Laboratory of Geospace Environment, Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Li, Hong, E-mail: honglee@ustc.edu.cn [CAS Key Laboratory of Geospace Environment, Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Tan, Mingsheng; Lu, Mingjian; Wu, Yanqi; Mao, Wenzhe; Bai, Wei; Tu, Cui; Luo, Bing; Li, Zichao; Adil, Yolbarsop; Hu, Jintong [CAS Key Laboratory of Geospace Environment, Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Song, Yuntao; Yang, Qingxi; Zhang, Ping [Institute of Plasma Physics Chinese Academy of Sciences, Hefei 230026 (China); Xie, Jinlin; Lan, Tao; Liu, Adi [CAS Key Laboratory of Geospace Environment, Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Ding, Weixing [CAS Key Laboratory of Geospace Environment, Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Department of Physics and Astronomy, University of California at Los Angeles, Los Angeles, CA 90095 (United States); Xiao, Chijin [CAS Key Laboratory of Geospace Environment, Department of Modern Physics, University of Science and Technology of China, Hefei 230026 (China); Department of Physics and Engineering Physics, University of Saskatchewan, SK S7 N 5N2 (Canada); and others

    2016-10-15

    The conductive shell in reversed field pinch devices plays an important role in controlling plasma and in suppressing MHD instabilities. The shell in the Keda torus experiment reversed field pinch (KTX-RFP) device includes a 6-mm stainless steel vacuum chamber and a 1.5-mm stabilizing copper shell. This stabilizing shell has both poloidal and toroidal gaps to allow a coupling of electromagnetic energy to the plasma. Nevertheless, any gaps in this shell generate error fields. A 3D electromagnetic field model has been used to study effects of the gap on the shell. Using off-center current filaments instead of the distributed plasma current density, numerical analyses render the induced current distribution on the stabilizing shell and the resultant error field distribution at a specific frequency. From the analyses and comparisons of different configurations for the stabilizing shell, a suitable shell design is chosen consisting of three sections: one primary shell, two poloidal shield shells, and two toroidal shield shells. Moreover, the time evolution of the magnetic field inside and outside the stabilizing shell was obtained for this design and the dependence of the magnetic field penetration time on mode number and location has been investigated.

  11. AtomDB and PyAtomDB: Atomic Data and Modelling Tools for High Energy and Non-Maxwellian Plasmas

    Science.gov (United States)

    Foster, Adam; Smith, Randall K.; Brickhouse, Nancy S.; Cui, Xiaohong

    2016-04-01

    The release of AtomDB 3 included a large wealth of inner shell ionization and excitation data allowing accurate modeling of non-equilibrium plasmas. We describe the newly calculated data and compare it to published literature data. We apply the new models to existing supernova remnant data such as W49B and N132D. We further outline progress towards AtomDB 3.1, including a new energy-dependent charge exchange cross sections.We present newly developed models for the spectra of electron-electron bremsstrahlung and those due to non-Maxwellian electron distributions.Finally, we present our new atomic database access tools, released as PyAtomDB, allowing powerful use of the underlying fundamental atomic data as well as the spectral emissivities.

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

    Science.gov (United States)

    Chikina, I.; Shikin, V.

    2016-07-01

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

  13. High Fidelity Simulation of Atomization in Diesel Engine Sprays

    Science.gov (United States)

    2015-09-01

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

  14. Atomic phase diagram

    Institute of Scientific and Technical Information of China (English)

    LI Shichun

    2004-01-01

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

  15. 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...

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

    Science.gov (United States)

    Didden, Arjen; Hillebrand, Philipp; Wollgarten, Markus; Dam, Bernard; van de Krol, Roel

    2016-02-01

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

  17. 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.

  18. Study of coordination environments around Pd and Pt in a Pd-core Pt-shell nanoparticle during heating

    Science.gov (United States)

    Nishimura, Y. F.; Hamaguchi, T.; Yamaguchi, S.; Takagi, H.; Dohmae, K.; Nonaka, T.; Nagai, Y.

    2016-05-01

    Local coordination environments around Pd and Pt in a Pd-core Pt-shell nanoparticle (NP) at temperatures ranging from 473 to 873 K was evaluated by utilizing in situ XAFS measurement technique to investigate the temperature range in which a core-shell structure is preserved. The core-shell structure was considered to be kept up to 673 K and start to change at about 773 K. Heating to 873 K accelerated atomic mixing in the core-shell NPs. Catalytic properties of the present Pd-core Pt-shell NP are available in the stoichiometric C3H6-O2 atmosphere at temperatures less than 773 K at most.

  19. Ancient shell industry at Bet Dwarka island

    Digital Repository Service at National Institute of Oceanography (India)

    Gaur, A.S.; Sundaresh; Patankar, V.

    medicinal use. Several other varieties of shells from different trenches Table 1. Shells recovered during Bet Dwarka excav a tion Species BDK - I BDK - II BDK - III BDK - VI Adusta onyx 1 Anadara ehrenbergi 1 4 1...

  20. 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...

  1. Inner Shell Excitations of Lithium Studied by Fast Electron Impact

    Institute of Scientific and Technical Information of China (English)

    JIANG Wei-Chun; ZHU Lin-Fan; XU Ke-Zun

    2008-01-01

    Electron energy loss spectra for the inner shell excitations of atomic lithium are measured at an incident electron energy of 2500eV and scattering angles of 0°, 2°, 4° and 6°. Two optically forbidden transitions of (1s2s2)2S and (1s2s3S)3s2 S are observed. The generalized oscillator strength ratios for 1s(2s2p3P)2 P0 to 1s(2s2p1P)2P0 were determined, and they are independent of the momentum transfer.

  2. 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.

  3. 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.

  4. Shell theorem for spontaneous emission

    DEFF Research Database (Denmark)

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

    2013-01-01

    and therefore is given exactly by the dipole approximation theory. This surprising result is a spontaneous emission counterpart to the shell theorems of classical mechanics and electrostatics and provides insights into the physics of mesoscopic emitters as well as great simplifications in practical calculations....

  5. Observability inequalities for thin shells

    Institute of Scientific and Technical Information of China (English)

    柴树根; 姚鹏飞

    2003-01-01

    We consider the exact controllability problem from boundary for thin shells. Under some check-able geometric assumptions on the middle surface, we establish the observability inequalities via the Bochnertechnique for the Dirichlet control and the Neumann control problems. We also give several examples to verifythe geometric assumptions.

  6. Mechanisms of surface alloy segregation on faceted core-shell nanowire growth

    Science.gov (United States)

    Zhang, Qian; Voorhees, Peter W.; Davis, Stephen H.

    2017-03-01

    A general two-dimensional faceted model that accounts for capillarity and deposition of an AxB 1-x alloy is developed for the growth of the shell on a hexagonal core. With this model, the surface alloy segregation and morphological evolution in the processes of the faceted core-shell nanowire growth are studied both analytically and numerically. Mechanisms of formation of Al-rich stripes along { 112 } facets and Al-poor quantum dots/wires at the apices of { 112 } facets are identified. More specifically, it is found that diffusion tends to move the atoms from { 112 } facets to { 110 } facets. The formation of Al-rich stripes along the { 112 } facets is due to the large ratios of mobilities of Al atoms and Ga atoms on { 112 } facets, even though Al atoms diffuse slower than Ga on the { 110 } facets. In addition, the difference of interaction parameters in the enthalpy on different facets can also lead to lines of enhanced concentration of Al behind { 112 } facets. If the attachment rates of Al on the { 112 } facets are smaller than that on { 110 } facets, Al-poor dots will grow at the end of the Al-rich stripes because the growth process switches from diffusion dominant to deposition dominant when the size of the nanowire gets large. Moreover, influences of different parameters on the distribution of concentrations of the atoms in the shell are investigated in details.

  7. Quantum Phases of Atom-Molecule Mixtures of Fermionic Atoms

    Science.gov (United States)

    Lopez, Nicolas; Tsai, Shan-Wen

    2009-11-01

    Cold atom experiments have observed atom-molecule mixtures by tuning the interactions between particles.footnotetextM.L. Olsen, J. D. Perreault, T. D. Cumby, and D. S. Jin, Phys. Rev. A 80, 030701(R) (2009) We study many particle interactions by examaning a simple model that describes the destruction of fermionic atom pairs to form single bosonic molecules and vice versa. A set of functional Renomalization Group equationsfootnotetextR. Shankar, Rev. Mod. Phys., Vol 66 No. 1, January 1994^,footnotetextS.W. Tsai, A.H. Castro Neto, R. Shankar, D.K. Campbell, Phys. Rev. B 72, 054531 (2005) describing these processes are set up and solved numerically. The Self Energy of the fermions are attained as a function of frequency and we search for frequency dependent instabilities that could denote a transition from a disordered liquid to a BCS phase. (Financial support from NSF DMR-084781 and UC-Lab Fees Research Program.)

  8. Hyaluronic acid embedded cellulose acetate phthlate core/shell nanoparticulate carrier of 5-fluorouracil.

    Science.gov (United States)

    Garg, Ashish; Rai, Gopal; Lodhi, Santram; Jain, Alok Pal; Yadav, Awesh K

    2016-06-01

    Aim of this research was to prepare hyaluronic acid-modified-cellulose acetate phthalate (HAC) core shell nanoparticles (NPs) of 5-fluorouracil (5-FU). HAC copolymer was synthesized and confirmed by fourier transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopy. HAC NPs with 5-FU were prepared using HAC copolymer and compared with 5-FU loaded cellulose acetate phthalate (CAP) NPs. NPs were characterized by atomic force microscopy (AFM), particle size, zeta potential, polydispersity index, entrapment efficiency, in-vitro release, differential scanning calorimetry (DSC) and X-ray diffraction (XRD). HAC NPs were found slower release (97.30% in 48h) than (99.25% in 8h) CAP NPs. In cytotoxicity studies, showed great cytotoxic potential of 5-FU loaded HAC NPs in A549, MDA-MD-435 and SK-OV-3 cancer cellline. HAC NPs showing least hemolytic than CAP NPs and 5-FU. Area under curve (AUC), maximum plasma concentration (Cmax), mean residence time (MRT) and time to reach maximum plasma concentration Tmax), were observed 4398.1±7.90μgh/mL, 145.45±2.25μg/L, 45.74±0.25h, 72±0.50h, respectively of HAC NPs and 119.92±1.78μgh/mL, 46.38±3.42μg/L, 1.2±0.25h, 0.5±0.02h were observed in plain 5-FU solution. In conclusion, HAC NPs is effective deliver carrier of 5-FU for lung cancer.

  9. Protein profiles of hatchery egg shell membrane

    Science.gov (United States)

    Background: Eggshells, which consist largely of calcareous outer shell and shell membranes, constitute a significant part of poultry hatchery waste. The shell membranes (ESM) not only contain proteins that originate from egg whites but also from the developing embryos and different contaminants of m...

  10. Shell China Promotes Localization of Employees

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ Shell China Limited's Executive Chairman Lim Haw Kuang is unquestionably an effective reformer for the Beijing-based company. He localized Shell China Limited's leadership team with Chinese employees going from zero to a majority in three years, and engineered the turnaround of Shell's business in China.

  11. 7 CFR 983.29 - Shelled pistachios.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 8 2010-01-01 2010-01-01 false Shelled pistachios. 983.29 Section 983.29 Agriculture... and Orders; Fruits, Vegetables, Nuts), DEPARTMENT OF AGRICULTURE PISTACHIOS GROWN IN CALIFORNIA, ARIZONA, AND NEW MEXICO Definitions § 983.29 Shelled pistachios. Shelled pistachios means...

  12. Shell Expands Polystyrene Joint Venture in China

    Institute of Scientific and Technical Information of China (English)

    1997-01-01

    @@ Shell China Ltd. and Shell China Holdings BV, both wholly owned subsidiaries and part of the Royal Dutch/Shell Group of Companies, have signed a joint-venture agreement with Jinling Petrochemical Corporation (JPC) on October 17, 1997, in Nanjing, the East China's Jiangsu Province.

  13. 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...

  14. Effective Finite Elements for Shell Analysis.

    Science.gov (United States)

    1984-02-20

    conjunction with a shallow shell theory . It 2 should be noteJ that contrary to the results of earlier investigators [12,19], use of a shallow shell theory in...the inadequacy of the shallow shell theory for the relatively deep element emerging from such a coarse mesh. A considerable improvement is obtained

  15. High quality ZnO–TiO{sub 2} core–shell nanowires for efficient ultraviolet sensing

    Energy Technology Data Exchange (ETDEWEB)

    Shao, Dali, E-mail: shaod2@rpi.edu [Department of Electrical, Computer and Systems Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Sun, Hongtao; Xin, Guoqing; Lian, Jie [Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States); Sawyer, Shayla [Department of Electrical, Computer and Systems Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180 (United States)

    2014-09-30

    Graphical abstract: - Highlights: • High quality ZnO–TiO{sub 2} core–shell nanowires were grown using hydrothermal process followed by atomic layer deposition method. • The ZnO–TiO{sub 2} core–shell nanowires demonstrated high photoresponsivity (495 A/W at 373 nm). • High photocurrent to dark current ratio (2.3 × 10{sup 4}) has been achieved. - Abstract: High quality ZnO–TiO{sub 2} core–shell nanowires (NWs) have been fabricated via a facile two-step method: growth of ZnO nanowires by hydrothermal synthesis and then coating of highly uniform TiO{sub 2} shell using atomic layer deposition (ALD) technique. The ultraviolet (UV) emission intensity of the ZnO–TiO{sub 2} core–shell NWs is largely quenched due to an efficient electron–hole separation that reduces the band-to-band recombinations. To the contrary, the absorption of the ZnO–TiO{sub 2} core–shell NWs in both UV and visible region is enhanced, which is attributed to the antireflection properties of the TiO{sub 2} shell. An UV photodetector fabricated from the ZnO–TiO{sub 2} core–shell NWs showed a maximum photoresponsivity as high as 495 A/W at 373 nm under −10 V, which is ∼8 times higher than that of the photodetector fabricated from bare ZnO NWs. In addition, the transient response of the ZnO–TiO{sub 2} core–shell NWs is improved by 6 times as compared to that of the bare ZnO NWs. The results presented in this work suggest that ZnO–TiO{sub 2} core–shell NWs may be promising for various optoelectronics applications including: UV photodetectors, optical switches, optical fibers and solar cells.

  16. Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom.

    Science.gov (United States)

    Bezugly, Viktor; Wielgus, Pawel; Wagner, Frank R; Kohout, Miroslav; Grin, Yuri

    2008-06-01

    Electron localizability indicators based on the same-spin electron pair density and the opposite-spin electron pair density are studied for correlated wavefunctions of the argon atom. Different basis sets and reference spaces are used for the multireference configuration interaction method following the complete active space calculations aiming at the understanding of the effect of local electron correlation when approaching the exact wavefunction. The populations of the three atomic shells of Ar atom in real space are calculated for each case.

  17. 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.

  18. {sup 4}He-induced L X-ray production cross sections in Pt and Bi

    Energy Technology Data Exchange (ETDEWEB)

    Ouziane, S. [Faculte de Physique, Universite des Sciences et de Technologie Houari Boumediene, BP 32, El Alia, Bab Ezzouar, 16111 Alger (Algeria)], E-mail: sounucl@yahoo.fr; Amokrane, A. [Faculte de Physique, Universite des Sciences et de Technologie Houari Boumediene, BP 32, El Alia, Bab Ezzouar, 16111 Alger (Algeria); Ecole Nationale Preparatoire aux Etudes d' Ingeniorat, Rouiba, Alger (Algeria); Toumert, I. [Centre de Recherches Nucleaires d' Alger, 2 Bd Frantz Fanon, BP 399, Alger (Algeria); Nourreddine, A. [Institut Pluridisciplinaire Hubert Curien, 67037 Strasbourg Cedex 2 (France)

    2009-05-15

    L shell X-ray production cross sections for {sup 4}He on Pt and Bi are measured at 2.0, 2.3 and 3.0 MeV. Good agreement is found with the available data of Balsamo et al. [A. Balsamo, N. De Cesare, F. Murolo, E. Perillo, G. Spadaccini, M. Vigilante, J. Phys. B: Atom. Mol. Opt. Phys. 32 (1999) 5699]. The results are compared with those of theoretical calculations using the ECPSSR model [W. Brandt, G. Lapicki, Phys. Rev. A 23 (1981) 1717]. The difference already observed at low incident ion energy between ECPSSR calculations and measured data for the L{sub {beta}} and L{sub {gamma}} lines clearly appears in this work.

  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. 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

    Plenary. Electron collisions - past, present and future / J. W. McConkey. Collisions of slow highly charged ions with surfaces / J. Burgdörfer ... [et al.]. Atomic collisions studied with "reaction-microscopes" / R. Moshammer ... [et al.]. Rydberg atoms: a microscale laboratory for studying electron-molecule tnteractions / F. B. Dunning -- Collisions involvintg photons. Quantum control of photochemical reaction dynamics and molecular functions / M. Yamaki ... [et al.]. Manipulating and viewing Rydberg wavepackets / R. R. Jones. Angle-resolved photoelectrons as a probe of strong-field interactions / M. Vrakking. Ultracold Rydberg atoms in a structured environment / I. C. H. Liu and J. M. Rost. Synchrotron-radiation-based recoil ion momentum spectroscopy of laser cooled and trapped cesium atoms / L. H. Coutinho. Reconstruction of attosecond pulse trains / Y. Mairesse ... [et al.]. Selective excitation of metastable atomic states by Femto- and attosecond laser pulses / A. D. Kondorskiy. Accurate calculations of triple differential cross sections for double photoionization of the hygrogen molecule / W. Vanroose ... [et al.]. Double and triple photoionization of Li and Be / J. Colgan, M. S. Pindzola and F. Robicheaux. Few/many body dynamics in strong laser fields / J. Zanghellini and T. Brabec. Rescattering-induced effects in electron-atom scattering in the presence of a circularly polarized laser field / A. V. Flegel ... [et al.]. Multidimensional photoelectron spectroscopy / P. Lablanquie ... [et al.]. Few photon and strongly driven transitions in the XUV and beyond / P. Lambropoulos, L. A. A. Nikolopoulos and S. I. Themelis. Ionization dynamics of atomic clusters in intense laser pulses / U. Saalmann and J. M. Rost. On the second order autocorrelation of an XUV attosecond pulse train / E. P. Benis ... [et al.]. Evidence for rescattering in molecular dissociation / I. D. Williams ... [et al.]. Photoionizing ions using synchrotron radiation / R. Phaneuf. Photo double

  1. Atomic and Dynamic Insights into the Beneficial Effect of the 1,4-Naphthoquinon-2-yl-l-tryptophan Inhibitor on Alzheimer’s Aβ1–42 Dimer in Terms of Aggregation and Toxicity

    Science.gov (United States)

    2013-01-01

    Aggregation of the amyloid β protein (Aβ) peptide with 40 or 42 residues is one key feature in Alzheimer’s disease (AD). The 1,4-naphthoquinon-2-yl-l-tryptophan (NQTrp) molecule was reported to alter Aβ self-assembly and reduce toxicity. Though nuclear magnetic resonance experiments and various simulations provided atomic information about the interaction of NQTrp with Aβ peptides spanning the regions of residues 12–28 and 17–42, none of these studies were conducted on the full-length Aβ1–42 peptide. To this end, we performed extensive atomistic replica exchange molecular dynamics simulations of Aβ1–42 dimer with two NQTrp molecules in explicit solvent, by using a force field known to fold diverse proteins correctly. The interactions between NQTrp and Aβ1–42, which change the Aβ interface by reducing most of the intermolecular contacts, are found to be very dynamic and multiple, leading to many transient binding sites. The most favorable binding residues are Arg5, Asp7, Tyr10, His13, Lys16, Lys18, Phe19/Phe20, and Leu34/Met35, providing therefore a completely different picture from in vitro and in silico experiments with NQTrp with shorter Aβ fragments. Importantly, the 10 hot residues that we identified explain the beneficial effect of NQTrp in reducing both the level of Aβ1–42 aggregation and toxicity. Our results also indicate that there is room to design more efficient drugs targeting Aβ1–42 dimer against AD. PMID:24246047

  2. Atomic displacements due to spin-spin repulsion in conjugated alternant hydrocarbons

    Science.gov (United States)

    Estrada, Ernesto; Benzi, Michele

    2013-05-01

    We develop a theoretical model to account for the spin-induced atomic displacements in conjugated alternant hydrocarbons. It appears to be responsible for an enlargement of the distance between pairs of atoms separated by two atoms and located at the end of linear polyenes. It also correlates very well with the bond dissociation enthalpies for the cleavage of the C-H bond as well as to the spin density at carbon atoms in both open and closed shell at graphene nanoflakes (GNFs). Finally, we have modified the Schrödinger equation to study the propagation of the spin-induced perturbations through the atoms of GNFs.

  3. The Evolution of the work of Eduardo Torroja : shell roofs with and without reinforcement rings

    OpenAIRE

    Antuña Bernardo, Joaquín

    2006-01-01

    At the beginning of the twentieth century, the construction of thin reinforced shell concrete roofs was widespread in Europe. This roof is of the type where a cylindrical shell with a span of between 3.00 and 5.00 m span is built among arches that give the shape of the roof. These arches have a tie beam to resist thrusts and there is therefore only a vertical reaction on the piers. Arches are placed at the bottom side of the shell. At this period concrete was considered to be an elastic and l...

  4. Effects of magnetic drift shell splitting on electron diffusion in the radiation belts

    Science.gov (United States)

    Zheng, Liheng; Chan, A. A.; O'Brien, T. P.; Tu, W.; Cunningham, G. S.; Albert, J. M.; Elkington, S. R.

    2016-12-01

    Drift shell splitting in the presence of pitch angle scattering breaks all three adiabatic invariants of radiation belt electron motion and produces new diffusion terms that fully populate the diffusion tensor in the Fokker-Planck equation. The Radbelt Electron Model (REM) solves such a Fokker-Planck equation and is used to investigate the phase space density sources. Our simulation results and theoretical arguments suggest that drift shell splitting changes the phase space location of the source to smaller L shells, which typically reduces outer zone phase space density enhancements, and this reduction has a limit corresponding to two-dimensional local diffusion on a curved surface in the phase space.

  5. Drug release profile in core-shell nanofibrous structures: a study on Peppas equation and artificial neural network modeling.

    Science.gov (United States)

    Maleki, Mahboubeh; Amani-Tehran, Mohammad; Latifi, Masoud; Mathur, Sanjay

    2014-01-01

    Release profile of drug constituent encapsulated in electrospun core-shell nanofibrous mats was modeled by Peppas equation and artificial neural network. Core-shell fibers were fabricated by co-axial electrospinning process using tetracycline hydrochloride (TCH) as the core and poly(l-lactide-co-glycolide) (PLGA) or polycaprolactone (PCL) as the shell materials. The density and hydrophilicity of the shell polymers, feed rates and concentrations of core and shell phases, the contribution of TCH in core material and electrical field were the parameters fed to the perceptron network to predict Peppas constants in order to derive release pattern. This study demonstrated the viability of the prediction tool in determining drug release profile of electrospun core-shell nanofibrous scaffolds.

  6. 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.

  7. Pro Bash Programming Scripting the Linux Shell

    CERN Document Server

    Johnson, Chris FA

    2010-01-01

    The bash shell is a complete programming language, not merely a glue to combine external Linux commands. By taking full advantage of shell internals, shell programs can perform as snappily as utilities written in C or other compiled languages. And you will see how, without assuming Unix lore, you can write professional bash 4.0 programs through standard programming techniques. *Complete bash coverage*Teaches bash as a programming language*Helps you master bash 4.0 features What you'll learn*Use the shell to write new utilities and accomplish most programming tasks.*Use shell parameter expansio

  8. Determination of absolute configuration using heavy atom based co-crystallization method: Halogen atom effects

    Science.gov (United States)

    Wang, Jian-Rong; Fan, Xiaowu; Ding, Qiaoce; Mei, Xuefeng

    2016-09-01

    Heavy atom (chloride, bromide, and iodide) based co-crystals for determination of absolute configuration (AC) for chiral molecules were synthesized and evaluated. Co-crystals of cholestanol and L-ascorbic acid were analysed and the effects and potential benefits of varying the heavy atom are discussed. Changing the halogen atoms (chloride, bromide, or iodide) affects the co-crystal formation, X-ray absorption, and anomalous dispersion, and hence the ability to determine AC.

  9. Design aids for stiffened composite shells with cutouts

    CERN Document Server

    Sahoo, Sarmila

    2017-01-01

    This book focuses on the free vibrations of graphite-epoxy laminated composite stiffened shells with cutout both in terms of the natural frequencies and mode shapes. The dynamic analysis of shell structures, which may have complex geometry and arbitrary loading and boundary conditions, is solved efficiently by the finite element method, even including cutouts in shells. The results may be readily used by practicing engineers dealing with stiffened composite shells with cutouts. Several shell forms viz. cylindrical shell, hypar shell, conoidal shell, spherical shell, saddle shell, hyperbolic paraboloidal shell and elliptic paraboloidal shell are considered in the book. The dynamic characteristics of stiffened composite shells with cutout are described in terms of the natural frequency and mode shapes. The size of the cutouts and their positions with respect to the shell centre are varied for different edge constraints of cross-ply and angle-ply laminated composite shells. The effects of these parametric variat...

  10. 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...

  11. Corrosion inhibition property of polyester-groundnut shell biodegradable composite.

    Science.gov (United States)

    Sounthari, P; Kiruthika, A; Saranya, J; Parameswari, K; Chitra, S

    2016-12-01

    The use of natural fibers as reinforcing materials in thermoplastics and thermoset matrix composites provide optimistic environmental profits with regard to ultimate disposability and better use of raw materials. The present work is focused on the corrosion inhibition property of a polymer matrix composite produced by the use of groundnut shell (GNS) waste. Polyester (PE) was synthesized by condensation polymerization of symmetrical 1,3,4-oxadiazole and pimelic acid using sodium lauryl sulfate as surfactant. The polyester-groundnut shell composite (PEGNS) was prepared by ultrasonication method. The synthesized polyester-groundnut shell composite was characterized by FT-IR, TGA and XRD analysis. The corrosion inhibitory effect of PEGNS on mild steel in 1M H2SO4 was investigated using gravimetric method, electrochemical impedance spectroscopy, potentiodynamic polarization, atomic absorption spectroscopy and scanning electron microscopy. The results showed that PEGNS inhibited mild steel corrosion in acid solution and indicated that the inhibition efficiency increased with increasing inhibitor concentration and decrease with increasing temperature. The composite inhibited the corrosion of mild steel through adsorption following the Langmuir adsorption isotherm. Changes in the impedance parameters Rt, Cdl, Icorr, Ecorr, ba and bc suggested the adsorption of PEGNS onto the mild steel surface, leading to the formation of protective film.

  12. Atom Lithography with a Chromium Atomic Beam

    Institute of Scientific and Technical Information of China (English)

    ZHANG Wen-Tao; LI Tong-Bao

    2006-01-01

    @@ Direct write atom lithography is a new technique in which resonant light is used to pattern an atomic beam and the nanostructures are formed when the atoms deposit on the substrate. We design an experiment setup to fabricate chromium nanolines by depositing an atomic beam of 52 Cr through an off-resonant laser standing wave with the wavelength of 425.55 nm onto a silicon substrate. The resulting nanolines exhibit a period of 215 ± 3 nm with height of 1 nm.

  13. Turbine blade with spar and shell

    Science.gov (United States)

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

    2012-04-24

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

  14. 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.

  15. 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.

  16. 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

  17. Stability of the Regular Hayward Thin-Shell Wormholes

    Directory of Open Access Journals (Sweden)

    M. Sharif

    2016-01-01

    Full Text Available The aim of this paper is to construct regular Hayward thin-shell wormholes and analyze their stability. We adopt Israel formalism to calculate surface stresses of the shell and check the null and weak energy conditions for the constructed wormholes. It is found that the stress-energy tensor components violate the null and weak energy conditions leading to the presence of exotic matter at the throat. We analyze the attractive and repulsive characteristics of wormholes corresponding to ar>0 and ar<0, respectively. We also explore stability conditions for the existence of traversable thin-shell wormholes with arbitrarily small amount of fluid describing cosmic expansion. We find that the space-time has nonphysical regions which give rise to event horizon for 0l=0.9. It is concluded that the Hayward and Van der Waals quintessence parameters increase the stability of thin-shell wormholes.

  18. On the vibration of double-walled carbon nanotubes using molecular structural and cylindrical shell models

    Science.gov (United States)

    Ansari, R.; Rouhi, S.; Aryayi, M.

    2016-01-01

    The vibrational behavior of double-walled carbon nanotubes is studied by the use of the molecular structural and cylindrical shell models. The spring elements are employed to model the van der Waals interaction. The effects of different parameters such as geometry, chirality, atomic structure and end constraint on the vibration of nanotubes are investigated. Besides, the results of two aforementioned approaches are compared. It is indicated that by increasing the nanotube side length and radius, the computationally efficient cylindrical shell model gives rational results.

  19. Diffractive imaging of transient electronic core-shell structures in a nanoplasma

    CERN Document Server

    Rupp, Daniela; Adolph, Marcus; Gorkhover, Tais; Krikunova, Maria; Müller, Jan-Phillipe; Müller, Maria; Oelze, Tim; Ovcharenko, Yevheniy; Sauppe, Mario; Schorb, Sebastian; Wolter, David; Harmand, Marion; Treusch, Rolf; Bostedt, Christoph; Möller, Thomas

    2016-01-01

    We have recorded the coherent diffraction images of individual xenon clusters using intense extreme ultraviolet free-electron laser pulses tuned to atomic and ionic resonances in order to elucidate the influence of light induced electronic changes on the diffraction pattern. The data show the emergence of a transient core-shell structure within the otherwise homogeneous sample. Simulations indicate that ionization and nanoplasma formation result in a cluster shell with strongly altered refraction. The presented resonant scattering approach enables the imaging of ultrafast electron dynamics with unprecedented spatial resolution on their natural time scale.

  20. Inner-shell radiation from wire array implosions on the Zebra generator

    Energy Technology Data Exchange (ETDEWEB)

    Ouart, N. D.; Giuliani, J. L.; Dasgupta, A. [Plasma Physics Division, Naval Research Laboratory, Washington, District of Columbia 20375 (United States); Safronova, A. S.; Kantsyrev, V. L.; Esaulov, A. A.; Shrestha, I.; Weller, M. E.; Shlyaptseva, V.; Osborne, G. C.; Stafford, A.; Keim, S. [Physics Department, University of Nevada, Reno, Nevada 89557 (United States); Apruzese, J. P. [Consultant to NRL through Engility Corp., Chantilly, Virginia 20151 (United States); Clark, R. W. [Berkeley Research Associates, Beltsville, Maryland 20705 (United States)

    2014-03-15

    Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport is used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.

  1. 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.

  2. Glass shell manufacturing in space

    Science.gov (United States)

    Nolen, R. L.; Downs, R. L.; Ebner, M. A.

    1982-01-01

    Highly-uniform, hollow glass spheres, which are used for inertial-confinement fusion targets, are formed from metal-organic gel powder feedstock in a drop-tower furnace. The modelling of this gel-to-sphere transformation has consisted of three phases: gel thermochemistry, furnance-to-gel heat transfer, and gravity-driven degradation of the concentricity of the molten shell. The heat transfer from the furnace to the free-falling gel particle was modelled with forced convection. The gel mass, dimensions, and specific heat as well as furnace temperature profile and furnace gas conductivity, were controlled variables. This model has been experimentally verified. In the third phase, a mathematical model was developed to describe the gravity-driven degradation of concentricity in molten glass shells.

  3. 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.

  4. Ultrabright Luminescence from Gold Nanoclusters: Rigidifying the Au(I)-Thiolate Shell.

    Science.gov (United States)

    Pyo, Kyunglim; Thanthirige, Viraj Dhanushka; Kwak, Kyuju; Pandurangan, Prabhu; Ramakrishna, Guda; Lee, Dongil

    2015-07-01

    Luminescent nanomaterials have captured the imagination of scientists for a long time and offer great promise for applications in organic/inorganic light-emitting displays, optoelectronics, optical sensors, biomedical imaging, and diagnostics. Atomically precise gold clusters with well-defined core-shell structures present bright prospects to achieve high photoluminescence efficiencies. In this study, gold clusters with a luminescence quantum yield greater than 60% were synthesized based on the Au22(SG)18 cluster, where SG is glutathione, by rigidifying its gold shell with tetraoctylammonium (TOA) cations. Time-resolved and temperature-dependent optical measurements on Au22(SG)18 have shown the presence of high quantum yield visible luminescence below freezing, indicating that shell rigidity enhances the luminescence quantum efficiency. To achieve high rigidity of the gold shell, Au22(SG)18 was bound to bulky TOA that resulted in greater than 60% quantum yield luminescence at room temperature. Optical measurements have confirmed that the rigidity of gold shell was responsible for the luminescence enhancement. This work presents an effective strategy to enhance the photoluminescence efficiencies of gold clusters by rigidifying the Au(I)-thiolate shell.

  5. 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.

  6. 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

    2015-10-07

    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.

  7. 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...

  8. 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...

  9. 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.

  10. Synthesis and cytotoxicity study of magnesium ferrite-gold core-shell nanoparticles.

    Science.gov (United States)

    Nonkumwong, Jeeranan; Pakawanit, Phakkhananan; Wipatanawin, Angkana; Jantaratana, Pongsakorn; Ananta, Supon; Srisombat, Laongnuan

    2016-04-01

    In this work, the core-magnesium ferrite (MgFe2O4) nanoparticles were prepared by hydrothermal technique. Completed gold (Au) shell coating on the surfaces of MgFe2O4 nanoparticles was obtained by varying core/shell ratios via a reduction method. Phase identification, morphological evolution, optical properties, magnetic properties and cytotoxicity to mammalian cells of these MgFe2O4 core coated with Au nanoparticles were examined by using a combination of X-ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy, UV-visible spectroscopy (UV-vis), vibrating sample magnetometry and resazurin microplate assay techniques. In general, TEM images revealed different sizes of the core-shell nanoparticles generated from various core/shell ratios and confirmed the completed Au shell coating on MgFe2O4 core nanoparticles via suitable core/shell ratio with particle size less than 100 nm. The core-shell nanoparticle size and the quality of coating influence the optical properties of the products. The UV-vis spectra of complete coated MgFe2O4-Au core-shell nanoparticles exhibit the absorption bands in the near-Infrared (NIR) region indicating high potential for therapeutic applications. Based on the magnetic property measurement, it was found that the obtained MgFe2O4-Au core-shell nanoparticles still exhibit superparamagnetism with lower saturation magnetization value, compared with MgFe2O4 core. Both of MgFe2O4 and MgFe2O4-Au core-shell also showed in vitro non-cytotoxicity to mouse areola fibroblast (L-929) cell line.

  11. Closed-system behaviour of the intra-crystalline fraction of amino acids in mollusc shells.

    Science.gov (United States)

    Penkman, K E H; Kaufman, D S; Maddy, D; Collins, M J

    2008-02-01

    When mollusc shells are analysed conventionally for amino acid geochronology, the entire population of amino acids is included, both inter- and intra-crystalline. This study investigates the utility of removing the amino acids that are most susceptible to environmental effects by isolating the fraction of amino acids encapsulated within mineral crystals of mollusc shells (intra-crystalline fraction). Bleaching, heating and leaching (diffusive loss) experiments were undertaken on modern and fossil Corbicula fluminalis, Margaritifera falcata, Bithynia tentaculata and Valvata piscinalis shells. Exposure of powdered mollusc shells to concentrated NaOCl for 48 h effectively reduced the amino acid content of the four taxa to a residual level, assumed to represent the intra-crystalline fraction. When heated in water at 140 degrees C for 24 h, only 1% of amino acids were leached from the intra-crystalline fraction of modern shells compared with 40% from whole shell. Free amino acids were more effectively retained in the intra-crystalline fraction, comprising 55% (compared with 18%) of the whole shell after 24 h at 140 degrees C. For fossil gastropods, the inter-shell variability in D/L values for the intra-crystalline fraction of a single-age population was reduced by 50% compared with conventionally analysed shells. In contrast, analysis of the intra-crystalline fraction of C. fluminalis does not appear to improve the results for this taxon, possibly due to variability in shell ultrastructure. Nonetheless, the intra-crystalline fraction in gastropods approximates a closed system of amino acids and appears to provide a superior subset of amino acids for geochronological applications.

  12. Fabrication Of Graded Germanium-Doped CH Shells

    Energy Technology Data Exchange (ETDEWEB)

    Chen, K C; Huang, H; Nikroo, A; Letts, S A; Cook, R C

    2005-07-07

    One of the current capsule designs for achieving ignition on the National Ignition Facility (NIF) is a 2 mm diameter graded Ge-doped CH shell that has a 160 {micro}m thick wall. The Ge doping is not uniform, but rather is in radial steps. This graded Ge-doped design allows rougher surface finish than the original undoped CH design thus has a less stringent new surface standard. We selected quality mandrel mandrels by coating dozens of mandrel batches to {approx}70 {micro}m thickness to amplify sub-micrometer defects on the mandrels and successively removed inferior batches. The Ge-doping layers are made by introducing (CH{sub 3}){sub 4}Ge to the gas stream. The doping concentrations were determined by performing tryout runs and characterized by X-ray fluorescence analyses and quantitative radiograph calculations, with good agreement between the methods being demonstrated. The precise layer thickness and Ge concentrations were determined by a non-destructive quantitative contact radiograph. The as-coated shell has an inner 10 {micro}m undoped CH layer, followed by a 48 {micro}m thick 0.83 at.% Ge-doped CH, 10 {micro}m thick 0.38 at.% Ge-doped CH and then 90 {micro}m of undoped CH. The shell meets nearly all the NIF design thickness specifications and Ge concentrations. The atomic force microscope power spectrum of the shell meets the new NIF standard. The shells has a root-mean-square surface roughness of {approx}24 nm (modes 100-1000). A few surface flaws are isolated domes of 1 {micro}m tall and 20 {micro}m in diameter. Mandrel was successfully removed by pyrolysis at 305 C for 10-20 h. After pyrolysis, the diameter and wall shrink 0.4% and 5.7%, respectively. The shell's inner surface has root-mean-square roughness ranging from 1.1-6.5 nm by WYKO interferometer measurement.

  13. Spectroscopic properties of a two-level atom interacting with a complex spherical nanoshell

    CERN Document Server

    Moroz, A

    2004-01-01

    Frequency shifts, radiative decay rates, the Ohmic loss contribution to the nonradiative decay rates, fluorescence yields, and photobleaching of a two-level atom radiating anywhere inside or outside a complex spherical nanoshell, i.e. a stratified sphere consisting of alternating silica and gold concentric spherical shells, are studied. The changes in the spectroscopic properties of an atom interacting with complex nanoshells are significantly enhanced, often more than two orders of magnitude, compared to the same atom interacting with a homogeneous dielectric sphere. The changes strongly depend on the nanoshell parameters and the atom position. When an atom approaches a metal shell,the radiative decay rates are strongly enhanced and they increase faster than the Ohmic loss contribution to the nonradiative decay rates. However, the majority of the emitted radiation does not escape to spatial infinity but instead is absorbed. The enhancement of the radiative decay rates in a close proximity of metal boundaries...

  14. Shape-tunable core-shell microparticles.

    Science.gov (United States)

    Klein, Matthias K; Saenger, Nicolai R; Schuetter, Stefan; Pfleiderer, Patrick; Zumbusch, Andreas

    2014-10-28

    Colloidal polymer particles are an important class of materials finding use in both everyday and basic research applications. Tailoring their composition, shape, and functionality is of key importance. In this article, we describe a new class of shape-tunable core-shell microparticles. They are composed of a cross-linked polystyrene (PS) core and a poly(methyl methacrylate) (PMMA) shell of varying thickness. In the first step, we prepared highly cross-linked PS cores, which are subsequently transferred into a nonpolar dispersant. They serve as the seed dispersion for a nonaqueous dispersion polymerization to generate the PMMA shell. The shape of the particles can subsequently be manipulated. After the shell growth stage, the spherical PS/PMMA core-shell colloids exhibit an uneven and wrinkled surface. An additional tempering procedure allows for smoothing the surface of the core-shell colloids. This results in polymer core-shell particles with a perfectly spherical shape. In addition to this thermal smoothing of the PMMA shell, we generated a selection of shape-anisotropic core-shell particles using a thermomechanical stretching procedure. Because of the unique constitution, we can selectively interrogate molecular vibrations in the PS core or the PMMA shell of the colloids using nonlinear optical microscopy techniques. This is of great interest because no photobleaching occurs, such that the particles can be tracked in real space over long times.

  15. Magnetic properties of the 2D Fen core Xm (X = C, N, O, Cl, S and F) shell clusters embedded in graphene

    Science.gov (United States)

    Zhao, Ming-Yu; Zhao, Ru-Meng; Li, Wei; Ma, Ya-Qiang; Wang, Tian-Xing; Dai, Xian-Qi

    2017-01-01

    Utilizing first-principle calculations, the structural, electronic and magnetic properties of monolayer graphene embedded with Fen/Xm (X = C, N, O, Cl, S and F) core/shell clusters are investigated, where n = 1, 2, 3 and m = 4, 6, respectively. We find that the graphene embedding with the Fen/Xm core/shell clusters are magnetic except the Fe/S4, Fe2/C4 and Fe3/Cl6 core/shell clusters. The graphene embedding with the Fe3/F6 core/shell cluster has the largest magnetic moment in these systems. Magnetism for Fen/Xm core/shell clusters embedded in monolayer graphene can be ascribed to the ferromagnetic coupling between the Fe atoms. Our calculations demonstrate that Fe atoms are successfully isolated at various C, N, O, Cl, S and F shells in graphene to preserve the high-spin state. On the other hand, the high-spin state is also effectively controlled by the amount of Fe atoms. The electron spin can be stored in magnetic thin film, lithographically prepared quantum dots, and electromagnetic traps. The Fen/Xm core/shell clusters embedded in graphene can be considered to have potential applications in nanoelectronics, spintronics and magnetic storage devices.

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

    Energy Technology Data Exchange (ETDEWEB)

    Long, Nguyen Viet, E-mail: nguyenviet_long@yahoo.com [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Posts and Telecommunications Institute of Technology, km 10 Nguyen Trai, Thanh Xuan, Ha Dong, Hanoi (Viet Nam); Laboratory for Nanotechnology, Vietnam National University, Ho Chi Minh, Linh Trung, Thu Duc, Ho Chi Minh (Viet Nam); Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasugakouen, Kasuga, Fukuoka 816-8580 (Japan); Ohtaki, Michitaka [Department of Molecular and Material Sciences, Interdisciplinary Graduate School of Engineering Sciences, Kyushu University, 6-1 Kasugakouen, Kasuga, Fukuoka 816-8580 (Japan); Hien, Tong Duy [Laboratory for Nanotechnology, Vietnam National University, Ho Chi Minh, Linh Trung, Thu Duc, Ho Chi Minh (Viet Nam); Randy, Jalem [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan); Nogami, Masayuki, E-mail: nogami@nitech.ac.jp [Department of Materials Science and Engineering, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466-8555 (Japan)

    2011-10-30

    Highlights: > The syntheses of Pt (4-8 nm) and Pt-Pd core-shell nanoparticles (15-25 nm) are showed. > Pt-Pd core-shell catalysts possess catalytic property much better than Pt catalysts. > Pt-Pd core-shell catalysts exhibit fast and highly stable catalytic activity. > Fascinatingly, size effect is not as really important as nanostructuring effect. > Fast, stable, sensitive hydrogen adsorption is very crucial for fuel cells. - Abstract: This comparative study characterizes two types of metallic and core-shell bimetallic nanoparticles prepared with our modified polyol method. These nanoparticles consist of Pt and Pt-Pd core-shell nanocatalysts exhibiting polyhedral morphologies. The controlled syntheses of Pt metallic nanoparticles in the 10-nm regime (4-8 nm) and Pt-Pd bimetallic core-shell nanoparticles in the 30-nm regime (15-25 nm) are presented. To realize our ultimate research goals for proton exchange membrane fuel cells (PEMFCs) and direct methanol fuel cells (DMFCs), we thoroughly investigate the dependence of the electrocatalytic properties of the nanoparticles on the structure, size and morphology. Significant differences in the electrocatalysis are also explained in experimental evidences of both Pt and Pt-Pd nanocatalysts. We suggested that the core-shell controlled morphologies and nanostructures of the Pd nanoshell as the Pd atomic monolayers will not only play an important role in producing inexpensive, novel Pt- and Pd-based nanocatalysts but also in designing more efficient Pt- and Pd-based nanocatalysts for practical use in DMFC technology. Our comparative results show that Pt-Pd nanocatalysts with Pd nanoshells exhibited much better electrocatalytic activity and stabilization compared to Pt nanocatalysts. Interestingly, we found that the size effect is not as strong as the nanostructuring effect on the catalytic properties of the researched nanoparticles. A nanostructure effect of the core-shell bimetallic nanoparticles was identified.

  17. 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...

  18. Cocoa shells for heavy metal removal from acidic solutions.

    Science.gov (United States)

    Meunier, N; Laroulandie, J; Blais, J F; Tyagi, R D

    2003-12-01

    The development of economic and efficient processes for the removal of heavy metals present in acidic effluents from industrial sources or decontamination technologies has become a priority. The purpose of this work was to study the efficiency with which cocoa shells remove heavy metals from acidic solutions (pH 2) and to investigate how the composition of these solutions influences heavy metal uptake efficiency. Adsorption tests were conducted in agitated flasks with single-metal solutions (0.25 mM Al, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb and Zn), multi-metal solution (comprised of 0.25 mM of each of the cations above) and an effluent obtained from chemical leaching of metal-contaminated soil, in the presence of different cocoa shell concentrations (5-40 g/l). Results from the single-metal solution assays indicated that the fixation capacity of heavy metals by cocoa shells followed a specific order: Pb>Cr>Cd=Cu=Fe>Zn=Co>Mn=Ni=Al. Cocoa shells are particularly efficient in the removal of lead from very acidic solutions (q(max)=6.2 mg Pb/g, pH(i)=2.0 and T=22 degrees C). The presence of other metals and cations in solution did not seem to affect the recovery of lead. It was also observed that the maximum metal uptake was reached in less than 2 h. This research has also demonstrated that the removal of metals caused a decline in solution proton concentration (pH increase) and release of calcium, magnesium, potassium and sodium from the cocoa shells.

  19. Presenting the Bohr Atom.

    Science.gov (United States)

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  20. Infectious bronchitis virus and brown shell colour: Australian strains of infectious bronchitis virus affect brown eggshell colour in commercial laying hens differently.

    Science.gov (United States)

    Samiullah, Sami; Roberts, Juliet; Chousalkar, Kapil

    2016-10-01

    The aim of the current study was to assess any effect of wild and vaccine Australian infectious bronchitis virus (IBV) strains on shell colour in brown-shelled eggs. In Experiment 1, eggs were collected from day 1 to day 13 post-inoculation (p.i.) from unvaccinated laying hens challenged with IBV wild strains T and N1/88 and from a negative control group of hens. In Experiment 2, eggs were collected from 2 to 22 days p.i. from unvaccinated and vaccinated laying hens challenged with either a wild or a vaccine strain of IBV. In Experiment 1, there was a significant effect (P shell reflectivity, L* and protoporphyrin IX (PP IX) in eggshells, with and without cuticle. The mean PP IX/g of shell with and without cuticle was significantly higher on day 1 p.i. compared to day 7, after which PP IX increased with day p.i. In Experiment 2, shell reflectivity and L* increased and PP IX decreased with increased day p.i. until day 12. Shell reflectivity and L* decreased slightly after day 12 and increased again towards day 22. Shell reflectivity, L* and PP IX were not significantly different for eggshells from unvaccinated and vaccinated laying hens in the intact eggshell, but were significantly different in shells from which cuticle had been removed. In conclusion, the IBV strains reduced the intensity of brown shell colour to different extents with a lower amount of PP IX in eggshells.

  1. In vitro hyperthermia with improved colloidal stability and enhanced SAR of magnetic core/shell nanostructures.

    Science.gov (United States)

    Patil, R M; Thorat, N D; Shete, P B; Otari, S V; Tiwale, B M; Pawar, S H

    2016-02-01

    Magnetic core/shell nanostructures of Fe3O4 nanoparticles coated with oleic acid and betaine-HCl were studied for their possible use in magnetic fluid hyperthermia (MFH). Their colloidal stability and heat induction ability were studied in different media viz. phosphate buffer solution (PBS), saline solution and glucose solution with different physiological conditions and in human serum. The results showed enhanced colloidal stability in these media owing to their high zeta potential values. Heat induction studies showed that specific absorption rates (SAR) of core/shells were 82-94W/g at different pH of PBS and concentrations of NaCl and glucose. Interestingly, core/shells showed 78.45±3.90W/g SAR in human serum. The cytotoxicity of core/shells done on L929 and HeLa cell lines using 3-(4,5-dimethylthiazol-2-yl)2,5-diphenyl tetrazolium bromide and trypan blue dye exclusion assays showed >89% and >80% cell viability for 24 and 48h respectively. Core/shell structures were also found to be very efficient for in vitro MFH on cancer cell line. About 95% cell death was occurred in 90min after hyperthermia treatment. The mechanism of cell death was found to be elevated ROS generation in cells after exposure to core/shells in external magnetic field. This study showed that these core/shells have a great potential to be used in in vivo MFH.

  2. Maintenance of clinal variation for shell colour phenotype in the flat periwinkle Littorina obtusata.

    Science.gov (United States)

    Phifer-Rixey, M; Heckman, M; Trussell, G C; Schmidt, P S

    2008-07-01

    Clines can signal spatially varying selection and therefore have long been used to investigate the role of environmental heterogeneity in maintaining genetic variation. However, clinal patterns alone are not sufficient to reject neutrality or to establish the mechanism of selection. Indirect, inferential methods can be used to address neutrality and mechanism, but fully understanding the adaptive significance of clinal variation ultimately requires a direct approach. Ecological model systems such as the rocky intertidal provide a useful context for direct experimentation and can serve as a complement to studies in more traditional genetic model systems. In this study, we use indirect and direct approaches to investigate the role of environmental heterogeneity in the maintenance of shell colour polymorphism in the flat periwinkle snail, Littorina obtusata. We document replicated clines in shell colour morph frequencies over thermal gradients at two spatial scales, contrasting with patterns at previously reported microsatellite loci. In addition, experimental results demonstrate that that shell colour has predictable effects on shell temperature and that these differences in temperature, in turn, coincide with patterns of survivorship under episodic thermal stress. Direct manipulation of shell colour revealed that shell colour, and not a correlated character, was the target of selection. Our study provides evidence that spatially varying selection via thermal regime contributes to the maintenance of shell colour phenotype variation in L. obtusata in the sampled areas of the Gulf of Maine.

  3. Estimation of atomic masses of heavy and superheavy elements

    Energy Technology Data Exchange (ETDEWEB)

    Uno, Masahiro [Ministry of Education, Science and Culture, Tokyo (Japan)

    1997-07-01

    To estimate unknown atomic masses of heavy and superheavy elements, three kinds of formula: FRDM (finite range droplet model by Moeller et al.), TUYY (an empirical formula by Tachibana et al.) and our KUTY are explained. KUTY estimates the crude shell energies of spherical nucleus from sum of single-particle energies. Then, the refined shell energies in due consideration of paring and deformation are obtained by mixing with the functions of the crude shell energies. Experimental values of U and Fm isotopes were compared with estimation mass of KUTY and FRDM. In the field with experimental values of U isotopes, the value of KUTY and FRDM separated the same difference from the experimental value. The behavior of KUTY and FRDM for Fm isotopes were same as that of U, but ETFSI deviated a little from the experimental values. (S.Y.)

  4. Flame-in-gas-shield and miniature diffusion flame hydride atomizers for atomic fluorescence spectrometry: optimization and comparison

    Energy Technology Data Exchange (ETDEWEB)

    Marschner, Karel, E-mail: karel.marschner@biomed.cas.cz [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic); Charles University in Prague, Faculty of Science, Department of Analytical Chemistry, Albertov 8, 128 43 Prague (Czech Republic); Musil, Stanislav; Dědina, Jiří [Institute of Analytical Chemistry of the ASCR, v. v. i., Veveří 97, 602 00 Brno (Czech Republic)

    2015-07-01

    A detailed optimization of relevant experimental parameters of two hydride atomizers for atomic fluorescence spectrometry: flame-in-gas-shield atomizer with a two-channel shielding unit and a standard atomizer for atomic fluorescence spectrometry, miniature diffusion flame, was performed. Arsine, generated by the reaction with NaBH{sub 4} in a flow injection arrangement, was chosen as the model hydride. Analytical characteristics of both the atomizers (sensitivity, noise, limits of detection) were compared. Under optimum conditions sensitivity obtained with flame-in-gas-shield atomizer was approximately twice higher than with miniature diffusion flame. The additional advantage of flame-in-gas-shield atomizer is significantly lower flame emission resulting in a better signal to noise ratio. The resulting arsenic limits of detection for miniature diffusion flame and flame-in-gas-shield atomizer were 3.8 ng l{sup −1} and 1.0 ng l{sup −1}, respectively. - Highlights: • We optimized and compared two hydride atomizers for atomic fluorescence spectrometry. • Miniature diffusion flame and flame-in-gas-shield atomizer were optimized. • The limit of detection for arsenic was 1.0 ng l{sup −1}.

  5. Atomic Storage States

    Institute of Scientific and Technical Information of China (English)

    汪凯戈; 朱诗尧

    2002-01-01

    We present a complete description of atomic storage states which may appear in the electromagnetically induced transparency (EIT). The result shows that the spatial coherence has been included in the atomic collective operators and the atomic storage states. In some limits, a set of multimode atomic storage states has been established in correspondence with the multimode Fock states of the electromagnetic field. This gives a better understanding of the fact that, in BIT, the optical coherent information can be preserved and recovered.

  6. Atoms Talking to SQUIDs

    CERN Document Server

    Hoffman, J E; Kim, Z; Wood, A K; Anderson, J R; Dragt, A J; Hafezi, M; Lobb, C J; Orozco, L A; Rolston, S L; Taylor, J M; Vlahacos, C P; Wellstood, F C

    2011-01-01

    We present a scheme to couple trapped $^{87}$Rb atoms to a superconducting flux qubit through a magnetic dipole transition. We plan to trap atoms on the evanescent wave outside an ultrathin fiber to bring the atoms to less than 10 $\\mu$m above the surface of the superconductor. This hybrid setup lends itself to probing sources of decoherence in superconducting qubits. Our current plan has the intermediate goal of coupling the atoms to a superconducting LC resonator.

  7. Single Atom Plasmonic Switch

    OpenAIRE

    Emboras, Alexandros; Niegemann, Jens; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

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

  8. 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...

  9. Flow past a porous approximate spherical shell

    Science.gov (United States)

    Srinivasacharya, D.

    2007-07-01

    In this paper, the creeping flow of an incompressible viscous liquid past a porous approximate spherical shell is considered. The flow in the free fluid region outside the shell and in the cavity region of the shell is governed by the Navier Stokes equation. The flow within the porous annulus region of the shell is governed by Darcy’s Law. The boundary conditions used at the interface are continuity of the normal velocity, continuity of the pressure and Beavers and Joseph slip condition. An exact solution for the problem is obtained. An expression for the drag on the porous approximate spherical shell is obtained. The drag experienced by the shell is evaluated numerically for several values of the parameters governing the flow.

  10. SPSM and its application in cylindrical shells

    Institute of Scientific and Technical Information of China (English)

    NIE Wu; ZHOU Su-lian; PENG Hui

    2008-01-01

    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.

  11. Adsorption of copper to different biogenic oyster shell structures

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Qiong; Chen, Jie [College of Materials Science and Engineering, Fuzhou University, New Campus, Minhou, Fujian Province 350108 (China); Clark, Malcolm [Marine Ecology Research Centre, School of Environment, Science and Engineering, Southern Cross University, P.O. Box 157, Lismore, NSW 2480 (Australia); Yu, Yan, E-mail: yuyan_1972@126.com [College of Materials Science and Engineering, Fuzhou University, New Campus, Minhou, Fujian Province 350108 (China)

    2014-08-30

    Graphical abstract: - Highlights: • Adsorption of copper to waste oyster shell occurs rapidly at pH 5.5. • Copper adsorbs to the different structures of oyster shell at different rates. • The prismatic layer dominates copper sorption rather than the nacreous layer. • SEM analysis shows a porous open network structure to the prismatic layer. • Surface ζ-potentials establish electrostatic attraction to drive copper sorption. - Abstract: The removal of copper from solution by oyster shell powder was investigated for potential wastewater treatment uses. In particular, adsorption behavior differences between the prismatic (PP) and nacreous (NP) shell layers, and how this affects copper removal, were investigated. Experimental results indicated that copper adsorption was highly pH-dependent with optimal copper removal at pH 5.5, where the powdered whole raw shell (RP) removed up to 99.9% of the copper within 24 h at a 10 mg/L initial copper concentration. Langmuir and Freundlich models were used to analyze the isotherm PP, NP and RP data. These results showed a strong homogeneous Langmuir model for low initial copper concentrations (5–30 mg/L) to both RP and PP layer, while strong agreement with a heterogeneous Freundlich model for high initial copper concentrations (30–200 mg/L); nevertheless, a homogeneous Langmuir model provided the best fit for the more dense NP layer across the initial concentration range (5–200 mg/L). The distribution coefficient (K{sub d}) value of PP layer for each initial concentration investigated was substantially higher than the NP layer and it was also found that the PP layer dominated the adsorption process with an adsorption capacity of 8.9 mg/g, while the adsorption capacity of the NP layer was 2.6 mg/g. These differences are believed to be because of the more porous structure of the PP layer, which was confirmed by scanning electron microscopy, infrared spectroscopy, energy-dispersive X-ray spectroscopy, and

  12. 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.

  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. 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...

  15. Ultrathin Interface Regime of Core-Shell Magnetic Nanoparticles for Effective Magnetism Tailoring.

    Science.gov (United States)

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

    2017-02-08

    The magnetic exchange coupling interaction between hard and soft magnetic phases has been important for tailoring nanoscale magnetism, but spin interactions at the core-shell interface have not been well studied. Here, we systematically investigated a new interface phenomenon termed enhanced spin canting (ESC), which is operative when the shell thickness becomes ultrathin, a few atomic layers, and exhibits a large enhancement of magnetic coercivity (HC). We found that ESC arises not from the typical hard-soft exchange coupling but rather from the large magnetic surface anisotropy (KS) of the ultrathin interface. Due to this large increase in magnetism, ultrathin core-shell nanoparticles overreach the theoretical limit of magnetic energy product ((BH)max) and exhibit one of the largest values of specific loss power (SLP), which testifies to their potential capability as an effective mediator of magnetic energy conversion.

  16. Shell structure from {sup 100}Sn to {sup 78}Ni: Implications for nuclear astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Grawe, H.; Gorska, M.; Roeckl, E. [GSI, Darmstadt (Germany); Blazhev, A. [GSI, Darmstadt (Germany); University of Sofia, Sofia (Bulgaria); Mukha, I. [GSI, Darmstadt (Germany); Katholieke Universiteit Leuven, Leuven (Belgium); RRC ' ' Kurchatov Institute' ' , Moscow (Russian Federation); Plettner, C. [GSI, Darmstadt (Germany); Yale University, New Haven, CT (United States); Nowacki, F. [IReS, Strasbourg, Cedex (France); Grzywacz, R. [ORNL, Oak Ridge, TN (United States); Sawicka, M. [IEP Warsaw University, Warsaw (Poland)

    2005-09-01

    The single-particle structure and shell gap of {sup 100}Sn is inferred from prompt in-beam and delayed {gamma}-ray spectroscopy of seniority and spin-gap isomers. Recent results in {sup 94,95}Ag and {sup 98}Cd stress the importance of large-scale shell model calculations employing realistic interactions for the isomerism, np-nh excitations and E2 polarisation of the {sup 100}Sn core. The strong monopole interaction of the {delta}l=0 spin-flip partners {pi}g{sub 9/2}-{nu}g{sub 7/2} in N=51 isotones below {sup 100}Sn is echoed in the {delta}l=1 {pi}f{sub 5/2}- {nu}g{sub 9/2} pair of nucleons, which is decisive for the persistence of the N=50 shell gap in {sup 78}Ni. This is corroborated by recent experimental data on {sup 70,} {sup 76}Ni, {sup 78}Zn. The importance of monopole driven shell evolution for the appearance of new shell closures in neutron-rich nuclei and implications for r-process abundances near the N=82 shell is discussed. (orig.)

  17. Aragonite-calcite transformation in fossil snail shells of loess sequences in Loess Plateau, Central China

    Institute of Scientific and Technical Information of China (English)

    SHENG Xuefen; CHEN Jun; CAI Yuanfeng; CHEN Yang; JI Junfeng

    2005-01-01

    The methods of X-ray diffraction (XRD) and ICP-AES are applied to analyzing the mineral composition of modern and fossil snail shells in Luochuan section and Xifeng section. The results show that the mineral phase of calcium carbonate in modern snail shells is aragonite, but for some fossil snail shells in certain layers of loess sequences, a part of aragonite is transformed into calcite. In Luochuan and Xifeng sections, the stratigraphic borderline of aragonite-calcite transformation appearing obviously is between L5 and L6. Under the earth surface condition, the aragonite-calcite transformation is influenced by the factor of temperature only in a long time scale. It seems that the pressure is not the factor influencing the aragonite-calcite transformation. The results also show that existing age of snail shells is possibly the dominant and principal factor for the aragonite-calcite transformation. To a certain extent, the degree of aragonite-calcite transformation in snail shell is controlled by the content of trace element, such as Mg2+. The trace element can improve the stability of snail shell aragonite and impede the process of aragonite transforming into calcite.

  18. Heavy Metal Removal from Aqueous Solution by Adsorption on Modified Banana Shell

    Directory of Open Access Journals (Sweden)

    MR Mehrasbi

    2008-09-01

    Full Text Available Background and Objectives: Heavy Metals in Water resources is one of the most important environmental problems of countries. Up to now various methods of removing of these metals is considered, which is including using of low prices materials. In this study the potential of banana shells was assessed for adsorption of heavy metal ions such as Pb and Cd from aqueous solution. "nMaterials and Methods: Banana shells were pretreated separately with 0.4 mol/L NaOH, 0.4 mol/L HNO and distilled water and their adsorption ability were compared. Batch adsorption experiments were carried out as a function of the initial ion concentration, pH and adsorbent dosage. Adsorption isotherms of metal ions on adsorbents were determined and correlated with common isotherm equations such as Lungmuir, Freundlich and BET models."nResults: The maximum adsorption capacities were achieved by alkali modified banana shells (36 mg/g for Pb and by acidic modified banana shells (16 mg/g for Cd. Experimental results showed that the best pH for adsorption was 6 and the adsorption values decreased with lowering pH. Isotherm models indicated best fit for Freundlich model for modified banana shells."nConclusion: In comparing the parameters of models, it was observed that the capacity of banana shells for adsorption of lead is higher  than for adsorption of cadmium, but the adsorption of  cadmium is stronger than the adsorption of lead.

  19. Synthesis and cytotoxicity study of magnesium ferrite-gold core-shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Nonkumwong, Jeeranan [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Pakawanit, Phakkhananan [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Wipatanawin, Angkana [Division of Biochemistry and Biochemical Technology, Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Jantaratana, Pongsakorn [Department of Physics, Faculty of Science, Kasetsart University, Bangkok 11900 (Thailand); Ananta, Supon [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Srisombat, Laongnuan, E-mail: slaongnuan@yahoo.com [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand)

    2016-04-01

    In this work, the core-magnesium ferrite (MgFe{sub 2}O{sub 4}) nanoparticles were prepared by hydrothermal technique. Completed gold (Au) shell coating on the surfaces of MgFe{sub 2}O{sub 4} nanoparticles was obtained by varying core/shell ratios via a reduction method. Phase identification, morphological evolution, optical properties, magnetic properties and cytotoxicity to mammalian cells of these MgFe{sub 2}O{sub 4} core coated with Au nanoparticles were examined by using a combination of X-ray diffraction, scanning electron microscopy, transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy, UV–visible spectroscopy (UV–vis), vibrating sample magnetometry and resazurin microplate assay techniques. In general, TEM images revealed different sizes of the core-shell nanoparticles generated from various core/shell ratios and confirmed the completed Au shell coating on MgFe{sub 2}O{sub 4} core nanoparticles via suitable core/shell ratio with particle size less than 100 nm. The core-shell nanoparticle size and the quality of coating influence the optical properties of the products. The UV–vis spectra of complete coated MgFe{sub 2}O{sub 4}-Au core-shell nanoparticles exhibit the absorption bands in the near-Infrared (NIR) region indicating high potential for therapeutic applications. Based on the magnetic property measurement, it was found that the obtained MgFe{sub 2}O{sub 4}-Au core-shell nanoparticles still exhibit superparamagnetism with lower saturation magnetization value, compared with MgFe{sub 2}O{sub 4} core. Both of MgFe{sub 2}O{sub 4} and MgFe{sub 2}O{sub 4}-Au core-shell also showed in vitro non-cytotoxicity to mouse areola fibroblast (L-929) cell line. - Highlights: • Synthesis of MgFe{sub 2}O{sub 4}-Au core-shell nanoparticles with particle size < 100 nm • Complete Au shell coating on the surfaces of MgFe{sub 2}O{sub 4} nanoparticles • In vitro cytotoxicity study of complete coated MgFe{sub 2}O{sub 4}-Au core-shell

  20. Material with core-shell structure

    Science.gov (United States)

    Luhrs, Claudia; Richard, Monique N.; Dehne, Aaron; Phillips, Jonathan; Stamm, Kimber L.; Fanson, Paul T.

    2011-11-15

    Disclosed is a material having a composite particle, the composite particle including an outer shell and a core. The core is made from a lithium alloying material and the outer shell has an inner volume that is greater in size than the core of the lithium alloying material. In some instances, the outer mean diameter of the outer shell is less than 500 nanometers and the core occupies between 5 and 99% of the inner volume. In addition, the outer shell can have an average wall thickness of less than 100 nanometers.

  1. 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.

  2. 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.

  3. 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.

  4. [Inheritance of the background shell color in the snails Littorina obtusata (Gastropoda, Littorinidae)].

    Science.gov (United States)

    Kozminsky, E V

    2014-10-01

    We investigated in a gastropod mollusk Littorina obtusata (L. obtusata) the inheritance of background shell coloration of the shell, which arises on the basis of three pigments: purple, orange, and yellow. We found that the hypothesis on polyallelic inheritance, as in the genus Cepaea, cannot explain the inheritance of shell color in periwinkles. We demonstrated that a separate genetic system is responsible for incorporation of each pigment into the shell. The composition of these genetic systems includes at least tw genes each in the case of the yellow and purple pigments. Our analysis shows that caution should be applied when extending the results obtained in the studies of the Cepaea genus to the other species of gastropods.

  5. 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...

  6. Law project adopted by the Senate and authorizing the ratification of the additional protocol to the agreement between France, the European atomic energy community and the international atomic energy agency relative to the application of warranties in France; Projet de loi adopte par le Senat autorisant la ratification du protocole additionnel a l'accord entre la France, la Communaute europeenne de l'energie atomique et l'Agence internationale de l'energie atomique relatif a l'application de garanties en Franc

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-10-01

    This project of law concerns an additional protocol to the agreement of warranties signed on September 22, 1998 between France, the European atomic energy community and the IAEA. This agreement concerns the declaration of all information relative to the R and D activities linked with the fuel cycle and involving the cooperation with a foreign country non endowed with nuclear weapons. These information include the trade and processing of nuclear and non-nuclear materials and equipments devoted to nuclear reactors (pressure vessels, fuel loading/unloading systems, control rods, force and zirconium tubes, primary coolant pumps, deuterium and heavy water, nuclear-grade graphite), to fuel reprocessing plants, to isotope separation plants (gaseous diffusion, laser enrichment, plasma separation, electromagnetic enrichment), to heavy water and deuterium production plants, and to uranium conversion plants. (J.S.)

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

    Science.gov (United States)

    Bodo, Enrico

    2015-09-03

    By using ab initio molecular dynamics, we investigate the solvent shell structure of La(3+) and Lu(3+) ions immersed in two ionic liquids, ethylammonium nitrate (EAN) and its hydroxy derivative (2-ethanolammonium nitrate, HOEAN). We provide the first study of the coordination properties of these heavy metal ions in such a highly charged nonacqueous environment. We find, as expected, that the coordination in the liquid is mainly due to nitrate anions and that, due to the bidentate nature of the ligand, the complexation shell of the central ion has a nontrivial geometry and a coordination number in terms of nitrate molecules that apparently violates the decrease of ionic radii along the lanthanides series, since the smaller Lu(3+) ion seems to coordinate six nitrate molecules and the La(3+) ion only five. A closer inspection of the structural features obtained from our calculations shows, instead, that the first shell of oxygen atoms is more compact for Lu(3+) than for La(3+) and that the former coordinates 8 oxygen atoms while the latter 10 in accord with the typical lanthanide's trend along the series and that their first solvation shells have a slight irregular and complex geometrical pattern. When moving to the HOEAN solutions, we have found that the solvation of the central ion is possibly also due to the cation itself through the oxygen atom on the side chain. Also, in this liquid, the coordination numbers in terms of oxygen atoms in both solvents is 10 for La(3+) and 8 for Lu(3+).

  8. Hi Shells and Supershells in the I-GALFA Hi 21-cm Line Survey: I. Fast-Expanding Hi Shells Associated with Supernova Remnants

    CERN Document Server

    Park, Geumsook; Gibson, Steven J; Kang, Ji-hyun; Lane, Daria C; Douglas, Kevin A; Peek, Joshua E G; Korpela, Eric J; Heiles, Carl E; Newton, Jonathan H

    2013-01-01

    We search for fast-expanding Hi shells associated with Galactic supernova remnants (SNRs) in the longitude range l \\approx 32\\arcdeg to 77\\arcdeg using 21-cm line data from the Inner-Galaxy Arecibo L-band Feed Array (I-GALFA) Hi survey. Among the 39 known Galactic SNRs in this region, we find such Hi shells in four SNRs: W44, G54.4-0.3, W51C, and CTB 80. All four were previously identified in low-resolution surveys, and three of those (excluding G54.4-0.3) were previously studied with the Arecibo telescope. A remarkable new result, however, is the detection of Hi emission at both very high positive and negative velocities in W44 from the receding and approaching parts of the Hi expanding shell, respectively. This is the first detection of both sides of an expanding shell associated with an SNR in Hi 21-cm emission. The high-resolution I-GALFA survey data also reveal a prominent expanding Hi shell with high circular symmetry associated with G54.4-0.3. We explore the physical characteristics of four SNRs and di...

  9. Simulations of shell galaxies with GADGET-2: Multi-generation shell systems

    CERN Document Server

    Bartošková, Kateřina; Ebrová, Ivana; Jílková, Lucie; Křížek, Miroslav

    2011-01-01

    As the missing complement to existing studies of shell galaxies, we carried out a set of self-consistent N-body simulations of a minor merger forming a stellar shell system within a giant elliptical galaxy. We discuss the effect of a phenomenon possibly associated with the galaxy merger simulations --- a presence of multiple generations of shells.

  10. Composted oyster shell as lime fertilizer is more effective than fresh oyster shell.

    Science.gov (United States)

    Lee, Young Han; Islam, Shah Md Asraful; Hong, Sun Joo; Cho, Kye Man; Math, Renukaradhya K; Heo, Jae Young; Kim, Hoon; Yun, Han Dae

    2010-01-01

    Physio-chemical changes in oyster shell were examined, and fresh and composted oyster shell meals were compared as lime fertilizers in soybean cultivation. Structural changes in oyster shell were observed by AFM and FE-SEM. We found that grains of the oyster shell surface became smoother and smaller over time. FT-IR analysis indicated the degradation of a chitin-like compound of oyster shell. In chemical analysis, pH (12.3+/-0.24), electrical conductivity (4.1+/-0.24 dS m(-1)), and alkaline powder (53.3+/-1.12%) were highest in commercial lime. Besides, pH was higher in composted oyster shell meal (9.9+/-0.53) than in fresh oyster shell meal (8.4+/-0.32). The highest organic matter (1.1+/-0.08%), NaCl (0.54+/-0.03%), and moisture (15.1+/-1.95%) contents were found in fresh oyster shell meal. A significant higher yield of soybean (1.33 t ha(-1)) was obtained by applying composted oyster shell meal (a 21% higher yield than with fresh oyster shell meal). Thus composting of oyster shell increases the utility of oyster shell as a liming material for crop cultivation.

  11. Atomic-Beam Magnetic Resonance Experiments at ISOLDE

    CERN Multimedia

    2002-01-01

    The aim of the atomic-beam magnetic resonance (ABMR) experiments at ISOLDE is to map the nuclear behaviour in wide regions of the nuclear chart by measuring nuclear spins and moments of ground and isomeric states. This is made through an investigation of the atomic hyperfine structure of free, neutral atoms in a thermal atomic-beam using radio-frequency techniques. On-line operation allows the study of short-lived nuclei far from the region of beta-stability.\\\\ \\\\ The ABMR experiments on the |2S^1 ^2 elements Rb, Cs, Au and Fr have been completed, and present efforts are directed towards the elements with an open p-shell and on the rare-earth elements.\\\\ \\\\ The experimental data obtained are compared with results from model calculations, giving information on the single-particle structure and on the nuclear shape parameters.

  12. 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.

  13. Synthesis of SnO2-ZnO Core-Shell Nanowires and Their Optoelectronic Properties

    Directory of Open Access Journals (Sweden)

    Ko-Ying Pan

    2012-01-01

    Full Text Available Zinc oxides deposited on Tin dioxide nanowires have been successfully synthesized by atomic layer deposition (ALD. The diameter of SnO2-ZnO core-shell nanowires is 100 nm by ALD 200 cycles. The result of electricity measurements shows that the resistance of SnO2-ZnO core-shell nanowires (ALD: 200 cycles is 925 Ω, which is much lower than pure SnO2 nanowires (3.6 × 106 Ω. The result of UV light test shows that the recovery time of SnO2-ZnO core-shell nanowires (ALD: 200 cycles is 328 seconds, which is lower than pure SnO2 nanowires (938 seconds. These results demonstrated that the SnO2-ZnO core-shell nanowires have potential application as UV photodetectors with high photon-sensing properties.

  14. Controlled drug release from lung-targeted nanocarriers via chemically mediated shell permeabilisation.

    Science.gov (United States)

    Chen, Hanpeng; Woods, Arcadia; Forbes, Ben; Jones, Stuart

    2016-09-25

    Nanocarriers can aid therapeutic agent administration to the lung, but controlling drug delivery from these systems after deposition in the airways can be problematic. The aim of this study was to evaluate if chemically mediated shell permeabilisation could help manipulate the rate and extent of nanocarrier drug release. Rifampicin was loaded into lipid shell (loading efficiency 41.0±11.4%, size 50nm) and polymer shell nanocarriers (loading efficiency 25.9±2.3%, size 250nm). The drug release at pH 7.4 (lung epithelial pH) and 4.2 (macrophage endosomal pH) with and without the chemical permeabilisers (Pluronic L62D - lipid nanocarriers; H(+)- polymer nanocarriers) was then tested. At pH 7.4 the presence of the permeabilisers increased nanocarrier drug release rate (from 3.2μg/h to 6.8μg/h for lipid shell nanocarriers, 2.3μg/h to 3.4μg/h for polymer shell nanocarriers) and drug release extent (from 50% to 80% for lipid shell nanocarriers, from 45% to 76% for polymer shell nanocarriers). These effects were accompanied by lipid nanocarrier distension (from 50 to 240nm) and polymer shell hydrolysis. At pH 4.2 the polymer nanocarriers did not respond to the permeabiliser, but the lipid nanocarrier maintained a robust drug release enhancement response and hence they demonstrated that the manipulation of controlled drug release from lung-targeted nanocarriers was possible through chemically mediated shell permeabilisation.

  15. 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.

  16. Single Atom Plasmonic Switch

    CERN Document Server

    Emboras, Alexandros; Ma, Ping; Haffner, Christian; Luisier, Mathieu; Hafner, Christian; Schimmel, Thomas; Leuthold, Juerg

    2015-01-01

    The atom sets an ultimate scaling limit to Moores law in the electronics industry. And while electronics research already explores atomic scales devices, photonics research still deals with devices at the micrometer scale. Here we demonstrate that photonic scaling-similar to electronics-is only limited by the atom. More precisely, we introduce an electrically controlled single atom plasmonic switch. The switch allows for fast and reproducible switching by means of the relocation of an individual or at most - a few atoms in a plasmonic cavity. Depending on the location of the atom either of two distinct plasmonic cavity resonance states are supported. Experimental results show reversible digital optical switching with an extinction ration of 10 dB and operation at room temperature with femtojoule (fJ) power consumption for a single switch operation. This demonstration of a CMOS compatible, integrated quantum device allowing to control photons at the single-atom level opens intriguing perspectives for a fully i...

  17. Saturation Effect of Projectile Excitation in Ion-Atom Collisions

    Science.gov (United States)

    Mukoyama, Takeshi; Lin, Chii-Dong

    Calculations of projectile K-shell electron excitation cross sections for He-like ions during ion-atom collisions have been performed in the distortion approximation by the use of Herman-Skillman wave functions. The calculated results are compared with the experimental data for several targets. The excitation cross sections deviate from the first-Born approximation and show the saturation effect as a function of target atomic number. This effect can be explained as the distortion of the projectile electronic states by the target nucleus.

  18. An informational approach about energy and temperature in atoms

    Science.gov (United States)

    Flores-Gallegos, N.

    2016-08-01

    In this letter, we introduce new definitions of energy and temperature based on the information theory model, and we show that our definition of informational energy is related to the kinetic energy of the Thomas-Fermi model, meanwhile the definition of informational temperature proposed, permit identify 'hot' and 'cold' zones of an atom, such zones are related to the changes in the local electron energy wherein the chemical and physical changes can occur; informational temperature also can reproduce the shell structure of an atom.

  19. Novel Spacetime Concept and Dimension Curling up Mechanism in Neon Shell

    CERN Document Server

    Xu, K

    2005-01-01

    Euclidean geometry does not characterize dynamic electronic orbitals satisfactorily for even a single electron in a hydrogen atom is a formidable mathematical task with the Schrodinger equation. Here the author puts forward a new spacetime concept that regards space and time as two orthogonal, symmetric and complementary quantities. They are inherent physical quantities that cannot be divorced from physical objects themselves. In two-dimensional helium shell, space and time are instantiated by two interactive 1s electrons; in four-dimensional neon shell, space and time dimensions blend into four types of curvilinear vectors represented by 2s, 2px, 2py, and 2pz electronic orbitals. The description of electronic orbitals constitutes an explanation of canonical spacetime properties such as harmonic oscillation, electromagnetism, and wave propagation. Through differential and integral operations, the author formulates a precise wavefunction for every electron in an inert neon atom where spacetime, as dimensional ...

  20. Ab initio theory of spin entanglement in atoms and molecules

    Science.gov (United States)

    Pittalis, S.; Troiani, F.; Rozzi, C. A.; Vignale, G.

    2015-02-01

    We investigate spin entanglement in many-electron systems within the framework of density functional theory. We show that the entanglement length, which is extracted from the spatial dependence of the local concurrence, is a sensitive indicator of atomic shells and reveals the character, covalent or metallic, of chemical bonds. These findings shed light on the remarkable success of modern density functionals, which tacitly employ the entanglement length as a variable. This opens the way to further research on entanglement-based functionals.