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Sample records for atomic shells k

  1. 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.

  2. process for K-shell ionization of atoms

    Indian Academy of Sciences (India)

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

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

    Indian Academy of Sciences (India)

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

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

    Indian Academy of Sciences (India)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-04-15

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

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

    Science.gov (United States)

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

    2011-04-01

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

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

    CERN Document Server

    Yerokhin, V A; Fritzsche, S

    2014-01-01

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

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

    Science.gov (United States)

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

    2018-02-01

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

  9. 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.

  10. 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)

  11. Atomic inner-shell transitions

    Science.gov (United States)

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

    1984-01-01

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

  12. K$_{-}$ and K$_{-}$ polarizability from kaonic atoms

    CERN Document Server

    Backenstoss, Gerhard; Bergström, I; Bunaciu, T; Egger, J; Hagelberg, R; Hultberg, S; Koch, H; Lynen, Y; Ritter, H G; Schwitter, A; Tauscher, L

    1973-01-01

    The K/sup -/ mass was determined from kaonic atomic X-rays from Au and Ba to be 493.691+or-0.040 MeV. An upper limit for the polarizability of the K/sup -/ was found to be 0.020 fm/sup 3/ at 90% confidence. (18 refs).

  13. Atomic force microscopy of virus shells.

    Science.gov (United States)

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

    2017-04-15

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

  14. Atomic force microscopy of virus shells.

    Science.gov (United States)

    de Pablo, Pedro J

    2017-08-26

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

  15. Observation of $\\pi^- K^+$ and $\\pi^+ K^-$ atoms

    CERN Document Server

    Adeva, B; The PS212 collaboration; Allkofer, Y.; Amsler, C.; Anania, A.; Aogaki, S.; Benelli, A.; Brekhovskikh, V.; Cechak, T.; Chiba, M.; Chliapnikov, P.; Doskarova, P.; Drijard, D.; Dudarev, A.; Dumitriu, D.; Fluerasu, D.; Gorin, A.; Gorchakov, O.; Gritsay, K.; Guaraldo, C.; Gugiu, M.; Hansroul, M.; Hons, Z.; Horikawa, S.; Iwashita, Y.; Karpukhin, V.; Kluson, J.; Kobayashi, M.; Kruglov, V.; Kruglova, L.; Kulikov, A.; Kulish, E.; Kuptsov, A.; Lamberto, A.; Lanaro, A.; Lednicky, R.; Marinas, C.; Martincik, J.; Nikitin, M.; Okada, K.; Olchevskii, V.; Pentia, M.; Penzo, A.; Plo, M.; Prusa, P.; Rappazzo, G.; Vidal, A.Romero; Ryazantsev, A.; Rykalin, V.; Saborido, J.; Sidorov, A.; Smolik, J.; Takeutchi, F.; Tauscher, L.; Trojek, T.; Trusov, S.; Urban, T.; Vrba, T.; Yazkov, V.; Yoshimura, Y.; Zhabitsky, M.; Zrelov, P.

    2016-01-01

    The observation of hydrogen-like $\\pi K$ atoms, consisting of $\\pi^- K^+$ or $\\pi^+ K^-$ mesons, is presented. The atoms have been produced by 24 GeV/$c$ protons from the CERN PS accelerator, interacting with platinum or nickel foil targets. The breakup (ionisation) of $\\pi K$ atoms in the same targets yields characteristic $\\pi K$ pairs, called ``atomic pairs'', with small relative momenta in the pair centre-of-mass system. The upgraded DIRAC experiment has observed $349\\pm62$ such atomic $\\pi K$ pairs, corresponding to a signal of 5.6 standard deviations.

  16. Determination of K shell absorption jump factors and jump ratios of 3d transition metals by measuring K shell fluorescence parameters.

    Science.gov (United States)

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

    2014-10-29

    Energy dispersive X-ray fluorescence technique (EDXRF) has been employed for measuring K-shell absorption jump factors and jump ratios for Ti, Cr, Fe, Co, Ni and Cu elements. The jump factors and jump ratios for these elements were determined by measuring K shell fluorescence parameters such as the Kα X-ray production cross-sections, K shell fluorescence yields, Kβ-to-Kα X-rays intensity ratios, total atomic absorption cross sections and mass attenuation coefficients. The measurements were performed using a Cd-109 radioactive point source and an Si(Li) detector in direct excitation and transmission experimental geometry. The measured values for jump factors and jump ratios were compared with theoretically calculated and the ones available in the literature. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. K-Shell Photoabsorption of Magnesium Ions

    CERN Document Server

    Hasoglu, M F; Gorczyca, T W

    2013-01-01

    X-ray photoabsorption cross sections have been computed for all magnesium ions using the R-matrix method. A comparison with the other available data for Mg II- Mg X shows good qualitative agreement in general. However, for the lower ionization stages, and for singly-ionized Mg II in particular, the previous R-matrix results (Witthoeft et al. 2009; Witthoeft et al. 2011) overestimate the K-edge position due to the absence of important orbital relaxation effects in those earlier calculations, and a global shift downward in photon energy of those cross sections is therefore warranted. The resultant resonance shapes are found to be quite similar between the two R-matrix results, on the other hand. The cross sections for Mg I and Mg II are further complicated by the M-shell (n=3) occupancy. As a result, the treatment of spectator Auger decay of 1s-> np resonances using the multichannel quantum defect, optical potential method becomes problematic, and it was necessary to implement an alternative, approximate treatm...

  18. Energy deposition and K-shell ionization of supernovae

    Science.gov (United States)

    The, Lih-Sin; Bridgman, William T.; Clayton, Donald D.

    1994-01-01

    We present explicit evaluation of K-shell ionization caused by photoelectric absorption, by Compton scattering, and by electron collisions in supernovae envelopes. Each process derives from the radioactivity that dominates the bolometric luminosity of the model supernovae. We include the ionization by bremsstrahlung. We find that electron-collision ionization with decelerating Compton electrons is the dominant process of K-shell ionization for light elements (lighter than Si) whereas photoelectric K-shell absorption of Comptonized gammas is the dominant process of K-shell ionization for heavy elements (like Fe). The relative importance of the ionization processes also depends upon composition and upon time, as well as upon supernova type. For Type Ia all four ionization sources are of importance. We present fitting formulas for the deposition of radioactive power in each class of models studied. The energy deposition of all mechanisms decreases with time, including the rate of K-shell ionizations of all elements throughout the supernovae model evaluated herein. We compare the relative contributions to the energy deposition and confirm with greater numerical detail results already established.

  19. Laboratory Studies of the Fe K-shell Emission

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P

    2004-12-26

    An overview is given of measurements of the Fe K-shell spectrum from low-density laboratory sources. The measurements include wavelengths, electron-impact collision cross sections, innershell ionization phenomena, dielectronic recombination resonance strengths, charge exchange recombination, electron beam polarization effects, resonance excitation, and radiative cascade contributions. K-shell spectra have now also been obtained with microcalorimeters, including microcalorimeter arrays that are twins of the ASTRO-E and ASTRO-E2 missions, which illustrate typical resolving powers and spectral capabilities.

  20. Determination of experimental K-shell fluorescence yield for ...

    Indian Academy of Sciences (India)

    K-shell fluorescence yields were experimentally determined for potassium and calcium compounds using a Si(Li) X-ray detector system (FWHM=5.96 keV at 160 eV). The samples were excited by 5.96 keV photons produced by a 55Fe radioisotope source. The experimental values are systematically lower than the ...

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

    NARCIS (Netherlands)

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

    2011-01-01

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

  2. Obtaining K{yields}{pi}{pi} from off-shell K{yields}{pi} amplitudes

    Energy Technology Data Exchange (ETDEWEB)

    Bijnens, J. [Lund Univ. (Sweden). Dept. of Theoretical Physics; Pallante, E. [Institut fuer Theoretische Physik, Universitaet Bern, Sidlerstrasse 5, CH-3012 Bern (Switzerland); Prades, J. [Departamento de Fisica Teorica y del Cosmos, Universidad de Granada, Campus de Fuente Nueva, E-18002 Granada (Spain)

    1998-06-15

    We properly define off-shell K{yields}{pi} transition amplitudes and use them to extract information for on-shell K{yields}{pi}{pi} amplitudes within chiral perturbation theory. At order p{sup 2} in the chiral expansion all three parameters of weak interaction can be determined. At order p{sup 4} we are able to fix eleven additional constants out of thirteen contributing to off-shell K{yields}{pi} transitions, which leaves four undetermined constants in the on-shell K{yields}{pi}{pi} amplitudes. All O(p{sup 4}) contributions have been exactly derived with m{sub {pi}}{sup 2}{ne}0. We finally discuss the weak mass term issue and find contributions to on-shell {Delta}S={+-}1 kaon decays, in particular to transitions like K{sub L}{yields}{gamma}{gamma}, K{sub L}{yields}{mu}{sup +} {mu}{sup -} and K{sub S}{yields}{pi}{sup 0}{gamma}{gamma} at the lowest non-zero order. (orig.) 32 refs.

  3. Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

    Energy Technology Data Exchange (ETDEWEB)

    Palmeri, P., E-mail: patrick.palmeri@umons.ac.be [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); Quinet, P., E-mail: pascal.quinet@umons.ac.be [Astrophysique et Spectroscopie, Université de Mons - UMONS, B-7000 Mons (Belgium); IPNAS, Université de Liège, B-4000 Liège (Belgium); Batani, D., E-mail: batani@celia.u-bordeaux1.fr [CELIA, Université de Bordeaux, F-33400 Talence (France)

    2015-09-15

    The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmeri et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)

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

    Science.gov (United States)

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

    2015-03-15

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

  5. Wire array K-shell sources on the SPHINX generator

    Science.gov (United States)

    D'Almeida, Thierry; Lassalle, Francis; Grunenwald, Julien; Maury, Patrick; Zucchini, Frédéric; Niasse, Nicolas; Chittenden, Jeremy

    2014-10-01

    The SPHINX machine is a LTD based Z-pinch driver operated by the CEA Gramat (France) and primarily used for studying K-shell radiation effects. We present the results of experiments carried out with single and nested large diameter aluminium wire array loads driven by a current of ~5 MA in ~800 ns. The dynamic of the implosion is studied with filtered X-UV time-integrated pin-hole cameras. The plasma electron temperature and the characteristics of the sources are estimated with time and spatially dependent spectrographs and PCDs. It is shown that Al K-shell yields (>1 keV) up to 27 kJ are obtained for a total radiation of ~ 230 kJ. These results are compared with simulations performed using the latest implementation of the non-LTE DCA code Spk in the 3D Eulerian MHD framework Gorgon developed at Imperial College. Filtered synthetic bolometers and PCD signals, time-dependent spatially integrated spectra and X-UV images are produced and show a good agreement with the experimental data. The capabilities of a prospective SPHINX II machine (20 MA ~ 800 ns) are also assessed for a wider variety of sources (Ti, Cu and W).

  6. Determination of experimental K-shell fluorescence yield for ...

    Indian Academy of Sciences (India)

    for many years and have been compiled by Krause [1], Bambynek et al [2,3] and. Hubbell et al [4,5]. Fluorescence yield, ωK, plays an important role in a variety of fields such as atomic, molecular and radiation physics, X-ray fluorescence analysis, cancer therapy, medical research, health physics, irradiation processes and ...

  7. Comparative study of the double-K -shell-vacancy production in single- and double-electron-capture decay

    Science.gov (United States)

    Ratkevich, S. S.; Gangapshev, A. M.; Gavrilyuk, Yu. M.; Karpeshin, F. F.; Kazalov, V. V.; Kuzminov, V. V.; Panasenko, S. I.; Trzhaskovskaya, M. B.; Yakimenko, S. P.

    2017-12-01

    Background: A double-K -electron capture is a rare nuclear-atomic process in which two K electrons are captured simultaneously from the atomic shell. A "hollow atom" is created as a result of this process. In single-K -shell electron-capture decays, there is a small probability that the second electron in the K shell is excited to an unoccupied level or can (mostly) be ejected to the continuum. In either case, a double vacancy is created in the K shell. The relaxation of the double-K -shell vacancy, accompanied by the emission of two K -fluorescence photons, makes it possible to perform experimental studies of such rare processes with the large-volume proportional gas chamber. Purpose: The purpose of the present analysis is to estimate a double-K -shell vacancy creation probability per K -shell electron capture PK K of 81Kr, as well as to measure the half-life of 78Kr relative to 2 ν 2 K capture. Method: Time-resolving current pulse from the large low-background proportional counter (LPC), filled with the krypton sample, was applied to detect triple coincidences of "shaked" electrons and two fluorescence photons. Results: The number of K -shell vacancies per the K -electron capture, produced as a result of the shake-off process, has been measured for the decay of 81Kr. The probability for this decay was found to be PK K=(5.7 ±0.8 ) ×10-5 with a systematic error of (ΔPKK) syst=±0.4 ×10-5 . For the 78Kr(2 ν 2 K ) decay, the comparative study of single- and double-capture decays allowed us to obtain the signal-to-background ratio up to 15/1. The half-life T1/2 2 ν 2 K(g .s .→g .s .) =[1 .9-0.7+1.3(stat) ±0.3 (syst) ] ×1022 y is determined from the analysis of data that have been accumulated over 782 days of live measurements in the experiment that used samples consisted of 170.6 g of 78Kr. Conclusions: The data collected during low background measurements using the LPC were analyzed to search the rare atomic and nuclear processes. We have determined PKK

  8. An improved $\\pi$K atom lifetime measurement

    CERN Document Server

    Yazkov, V

    2016-01-01

    This note describes details of analysis of data samples collected by DIRAC experiment on a Pt target in 2007 and Ni targets in 2008–2010 in order to estimate the lifetime of πK atoms. Experimental results consist of eight distinct data samples: both charge combinations ( π + K − and K + π − atoms) obtained in different experimental conditions corresponding to each year of data taking. Estimations of systematic errors are presented. Taking into account both statistical and systematic uncertainties, the lifetime of πK atoms is estimated by the maximum likelihood method. The above sample comprises the total statistics, available for the analysis, thus the improvement over the previous estimation [1,3] of the πK atom lifetime is achieved.

  9. 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....

  10. New version: GRASP2K relativistic atomic structure package

    Science.gov (United States)

    Jönsson, P.; Gaigalas, G.; Bieroń, J.; Fischer, C. Froese; Grant, I. P.

    2013-09-01

    comprehensive user manual in pdf format for the program package has been added. Restrictions: The packing algorithm restricts the maximum number of orbitals to be ≤214. The tables of reduced coefficients of fractional parentage used in this version are limited to subshells with j≤9/2 [5]; occupied subshells with j>9/2 are, therefore, restricted to a maximum of two electrons. Some other parameters, such as the maximum number of subshells of a CSF outside a common set of closed shells are determined by a parameter.def file that can be modified prior to compile time. Unusual features: The bioscl3 program reports transition data in the same format as in Atsp2K [6], and the data processing program tables of the latter package can be used. The tables program takes a name.lsj file, usually a concatenated file of all the .lsj transition files for a given atom or ion, and finds the energy structure of the levels and the multiplet transition arrays. The tables posted at the website http://atoms.vuse.vanderbilt.edu are examples of tables produced by the tables program. With the extension of coefficients of fractional parentage to j=9/2, calculations for the lanthanides and actinides become possible. Running time: CPU time required to execute test cases: 70.5 s.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-12-15

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

  12. Chemical effect on the K shell absorption parameters of some selected cerium compounds

    Science.gov (United States)

    Akman, F.; Kaçal, M. R.; Durak, R.

    2016-08-01

    In this study, the photoelectric cross section values of Ce, CeCl3.7H2O, Ce2(SO4)3, Ce(OH)4 and Ce2O3 samples were measured in the energy range from 31.82 keV up to 51.70 keV by adopting in narrow beam geometry. Using these photoelectric cross sections, the K shell photoelectric cross sections at the K-edge, the K shell absorption jump ratios and jump factors, the Davisson-Kirchner ratios and K shell oscillator strength values were estimated experimentally. The measured parameters were compared with the theoretical calculated values. It is observed that the K shell photoelectric cross section at the K-edge and K shell oscillator strength values of an element are affected by the chemical environment of material while the K shell absorption jump ratio, K shell absorption jump factor and Davisson-Kirchner ratio are not affected by the chemical environment of material for the present samples. To the best of our knowledge, the chemical effects on the Davisson-Kirchner ratio and K shell oscillator strength have not been discussed for any element by now.

  13. 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...

  14. Evidence for $\\pi K$ -atoms with DIRAC-II

    CERN Document Server

    Allkofer, Yves

    2008-01-01

    DIRAC-II is a fixed-target experiment at the CERN Proton Synchroton (PS) which has been designed to search for piK atoms, a bound state of a pi±K± pair, and measure their lifetime. These atoms are observed through an excess of low energetic piK pairs over the background, detected in the two spectrometer arms. This excess comes from the ionization of piK atoms in the target and can be related to their mean life. The piK S-wave scattering length combination |a1/2 - a3/2| (for isospin 1/2 and 3/2) can be related to the latter. The aim of the upgraded DIRAC-II experiment is a measurement of the scattering length combination |a1/2 - a3/2| with a precision of 5%. piK atoms have not been observed so far. The original DIRAC experiment was designed to measure the scattering lengths of pipi atoms. So far, close to 15 000 atoms have been detected, leading to a precision on |a0 - a2| which is better than 10%. In chiral perturbation theories (ChPT) the pipi scattering lengths have been calculated with 2% precision a...

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

    Science.gov (United States)

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

    2015-03-06

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

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

    CERN Document Server

    Ballance, Connor P

    2015-01-01

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

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

    Indian Academy of Sciences (India)

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

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

    Indian Academy of Sciences (India)

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

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

    Directory of Open Access Journals (Sweden)

    Yuhan Sun

    2011-09-01

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

  20. First observation of $\\pi^{-}K^+$ and $\\pi^{+}K^-$ atoms, their lifetime measurement and $\\pi K$ scattering lengths evaluation

    CERN Document Server

    Afanasyev, Leonid

    2016-01-01

    The Low Energy QCD allows to calculate the ππ and π K scattering lengths with high precision. There are accurate relations between these scattering lengths and π + π − , π − K + , π + Katoms lifetimes. The experiment on the first observation of π − K + and π + Katoms is described. The atoms were generated in Nickel and Platinum targets hit by the PS CERN proton beam with momentum of 24 GeV/ c . Moving in the target, part of atoms break up producing characteristic π K pairs (atomic pairs) with small relative momentum Q in their c.m.s. In the experiment, we detected n A = 349 ± 62 (5.6 standard deviations) π − K + and π + Katomic pairs. The main part of π K pairs are produced in free state. The majority of such particles are generated directly or from short-lived sources as ρ , ω and similar resonances. The electromagnetic interactions in the final state create Coulomb pairs with a known sharp dependence on Q . This effect allows to evaluate the number of these Coulomb pai...

  1. First $\\pi K$ atom lifetime and $\\pi K$ scattering length measurements

    CERN Document Server

    Adeva, B; Allkofer, Y; Amsler, C; Anania, A; Aogaki, S; Benelli, A; Brekhovskikh, V; Cechak, T; Chiba, M; Chliapnikov, P; Ciocarlan, C; Constantinescu, S; Doskarova, P; Drijard, D; Dudarev, A; Duma, M; Dumitriu, D; Fluerasu, D; Gorin, A; Gorchakov, O; Gritsay, K; Guaraldo, C; Gugiu, M; Hansroul, M; Hons, Z; Horikawa, S; Iwashita, Y; Karpukhin, V; Kluson, J; Kobayashi, M; Kruglov, V; Kruglova, L; Kulikov, A; Kulish, E; Kuptsov, A; Lamberto, A; Lanaro, A; Lednicky, R; Marinas, C; Martincik, J; Nemenov, L; Nikitin, M; Okada, K; Olchevskii, V; Pentia, M; Penzo, A; Plo, M; Ponta, T; Prusa, P; Rappazzo, G; Romero Vidal, A; Ryazantsev, A; Rykalin, V; Schacher, J; Sidorov, A; Smolik, J; Sugimoto, S; Takeutchi, F; Tauscher, L; Trojek, T; Trusov, S; Urban, T; Vrba, T; Yazkov, V; Yoshimura, Y; Zhabitsky, M; Zrelov, P

    2014-01-01

    The results of a search for hydrogen-like atoms consisting of $\\pi^{\\mp}K^{\\pm}$ mesons are presented. Evidence for $\\pi K$ atom production by 24 GeV/c protons from CERN PS interacting with a nickel target has been seen in terms of characteristic $\\pi K$ pairs from their breakup in the same target ($178 \\pm 49$) and from Coulomb final state interaction ($653 \\pm 42$). Using these results the analysis yields a first value for the $\\pi K$ atom lifetime of $\\tau=(2.5_{-1.8}^{+3.0})$ fs and a first model-independent measurement of the S-wave isospin-odd $\\pi K$ scattering length $\\left|a_0^-\\right|=\\frac{1}{3}\\left|a_{1/2}-a_{3/2}\\right|= \\left( 0.11_{-0.04}^{+0.09} \\right)M_{\\pi}^{-1}$ ($a_I$ for isospin $I$).

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

    CERN Document Server

    Novikov, S A

    2002-01-01

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

  3. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

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

  5. Chemical effect on the K shell fluorescence yield of Fe, Mn, Co, Cr ...

    Indian Academy of Sciences (India)

    Chemical effect on the K shell fluorescence yield of Fe, Mn, Co, Cr and Cu compounds. U TURGUT. Ataturk University, K.K. Education Faculty, Department of Physics, 25240 Erzurum,. Turkey. E-mail: umitturgut2000@yahoo.com. MS received 5 November 2003; revised 30 March 2004; accepted 15 June 2004. Abstract.

  6. Spontaneous non-canonical assembly of CcmK hexameric components from β-carboxysome shells of cyanobacteria

    Science.gov (United States)

    Lesniewska, Eric; Root, Katharina; Aubry, Nathalie; Pocholle, Nicolas; Mendoza, Carlos I.; Bourillot, Eric; Barylyuk, Konstantin; Pompon, Denis; Zenobi, Renato; Reguera, David; Truan, Gilles

    2017-01-01

    CcmK proteins are major constituents of icosahedral shells of β-carboxysomes, a bacterial microcompartment that plays a key role for CO2 fixation in nature. Supported by the characterization of bidimensional (2D) layers of packed CcmK hexamers in crystal and electron microscopy structures, CcmK are assumed to be the major components of icosahedral flat facets. Here, we reassessed the validity of this model by studying CcmK isoforms from Synechocystis sp. PCC6803. Native mass spectrometry studies confirmed that CcmK are hexamers in solution. Interestingly, potential pre-assembled intermediates were also detected with CcmK2. Atomic-force microscopy (AFM) imaging under quasi-physiological conditions confirmed the formation of canonical flat sheets with CcmK4. Conversely, CcmK2 formed both canonical and striped-patterned patches, while CcmK1 assembled into remarkable supra-hexameric curved honeycomb-like mosaics. Mutational studies ascribed the propensity of CcmK1 to form round assemblies to a combination of two features shared by at least one CcmK isoform in most β-cyanobacteria: a displacement of an α helical portion towards the hexamer edge, where a potential phosphate binding funnel forms between packed hexamers, and the presence of a short C-terminal extension in CcmK1. All-atom molecular dynamics supported a contribution of phosphate molecules sandwiched between hexamers to bend CcmK1 assemblies. Formation of supra-hexameric curved structures could be reproduced in coarse-grained simulations, provided that adhesion forces to the support were weak. Apart from uncovering unprecedented CcmK self-assembly features, our data suggest the possibility that transitions between curved and flat assemblies, following cargo maturation, could be important for the biogenesis of β-carboxysomes, possibly also of other BMC. PMID:28934279

  7. Spontaneous non-canonical assembly of CcmK hexameric components from β-carboxysome shells of cyanobacteria.

    Directory of Open Access Journals (Sweden)

    Luis F Garcia-Alles

    Full Text Available CcmK proteins are major constituents of icosahedral shells of β-carboxysomes, a bacterial microcompartment that plays a key role for CO2 fixation in nature. Supported by the characterization of bidimensional (2D layers of packed CcmK hexamers in crystal and electron microscopy structures, CcmK are assumed to be the major components of icosahedral flat facets. Here, we reassessed the validity of this model by studying CcmK isoforms from Synechocystis sp. PCC6803. Native mass spectrometry studies confirmed that CcmK are hexamers in solution. Interestingly, potential pre-assembled intermediates were also detected with CcmK2. Atomic-force microscopy (AFM imaging under quasi-physiological conditions confirmed the formation of canonical flat sheets with CcmK4. Conversely, CcmK2 formed both canonical and striped-patterned patches, while CcmK1 assembled into remarkable supra-hexameric curved honeycomb-like mosaics. Mutational studies ascribed the propensity of CcmK1 to form round assemblies to a combination of two features shared by at least one CcmK isoform in most β-cyanobacteria: a displacement of an α helical portion towards the hexamer edge, where a potential phosphate binding funnel forms between packed hexamers, and the presence of a short C-terminal extension in CcmK1. All-atom molecular dynamics supported a contribution of phosphate molecules sandwiched between hexamers to bend CcmK1 assemblies. Formation of supra-hexameric curved structures could be reproduced in coarse-grained simulations, provided that adhesion forces to the support were weak. Apart from uncovering unprecedented CcmK self-assembly features, our data suggest the possibility that transitions between curved and flat assemblies, following cargo maturation, could be important for the biogenesis of β-carboxysomes, possibly also of other BMC.

  8. Measurement of the $\\pi K$ atom lifetime and the $\\pi K$ scattering length

    CERN Document Server

    Adeva, B.; The PS212 collaboration; Allkofer, Y.; Amsler, C.; Anania, A.; Aogaki, S.; Benelli, A.; Brekhovskikh, V.; Cechak, T.; Chiba, M.; Chliapnikov, P.; Drijard, D.; Dudarev, A.; Dumitriu, D.; Federicova, P.; Fluerasu, D.; Gorin, A.; Gorchakov, O.; Gritsay, K.; Guaraldo, C.; Gugiu, M.; Hansroul, M.; Hons, Z.; Horikawa, S.; Iwashita, Y.; Karpukhin, V.; Kluson, J.; Kobayashi, M.; Kruglov, V.; Kruglova, L.; Kulikov, A.; Kulish, E.; Kuptsov, A.; Lamberto, A.; Lanaro, A.; Lednicky, R.; Marinas, C.; Martincik, J.; Nemenov, L.; Nikitin, M.; Okada, K.; Olchevskii, V.; Pentia, M.; Penzo, A.; Plo, M.; Prusa, P.; Rappazzo, G.; Romero Vidal, A.; Ryazantsev, A.; Rykalin, V.; Saborido, J.; Schacher, J.; Sidorov, A.; Smolik, J.; Takeutchi, F.; Tauscher, L.; Trojek, T.; Trusov, S.; Urban, T.; Vrba, T.; Yazkov, V.; Yoshimura, Y.; Zhabitsky, M.; Zrelov, P.

    2017-09-19

    After having announced the statistically significant observation (5.6~$\\sigma$) of the new exotic $\\pi K$ atom, the DIRAC experiment at the CERN proton synchrotron presents the measurement of the corresponding atom lifetime, based on the full $\\pi K$ data sample: $\\tau = (5.5^{+5.0}_{-2.8}) \\cdot 10^{-15}s$. By means of a precise relation ($<1\\%$) between atom lifetime and scattering length, the following value for the S-wave isospin-odd $\\pi K$ scattering length $a_0^{-}~=~\\frac{1}{3}(a_{1/2}-a_{3/2})$ has been derived: $\\left|a_0^-\\right| = (0.072^{+0.031}_{-0.020}) M_{\\pi}^{-1}$.

  9. Wind-embedded shocks in FASTWIND: X-ray emission and K-shell absorption

    Science.gov (United States)

    Carneiro, L. P.; Puls, J.; Sundqvist, J. O.; Hoffmann, T. L.

    2017-11-01

    EUV and X-ray radiation emitted from wind-embedded shocks can affect the ionization balance in the outer atmospheres of massive stars, and can also be the mechanism responsible for producing highly ionized atoms detected in the wind UV spectra. To investigate these processes, we implemented the emission from wind-embedded shocks and related physics into our atmosphere/spectrum synthesis code FASTWIND. We also account for the high energy absorption of the cool wind, by adding important K-shell opacities. Various tests justfying our approach have been described by Carneiro+(2016, A&A 590, A88). In particular, we studied the impact of X-ray emission on the ionization balance of important elements. In almost all the cases, the lower ionization stages (O iv, N iv, P v) are depleted and the higher stages (N v, O v, O vi) become enhanced. Moreover, also He lines (in particular He ii 1640 and He ii 4686) can be affected as well. Finally, we carried out an extensive discussion of the high-energy mass absorption coefficient, κν, regarding its spatial variation and dependence on T eff. We found that (i) the approximation of a radially constant κν can be justified for r >= 1.2R * and λ <= 18 Å, and also for many models at longer wavelengths. (ii) In order to estimate the actual value of this quantity, however, the He ii background needs to be considered from detailed modeling.

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

    Science.gov (United States)

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

    2009-11-01

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

  11. Spectral analysis of K-shell X-ray emission of magnesium plasma ...

    Indian Academy of Sciences (India)

    2014-02-06

    Feb 6, 2014 ... High-resolution K-shell emission in the 1–2 keV energy range from the plasma pro- duced by the ... the j-k dielectronic satellite lines of the Li-like transitions at λ = 9.32 Å, K-α emission. 366. Pramana – J. Phys. ... The spectrum was computed by time-dependent solution of rate equations considering NLTE ...

  12. Bright x-ray stainless steel K-shell source development at the National Ignition Facility

    Energy Technology Data Exchange (ETDEWEB)

    May, M. J.; Fournier, K. B.; Colvin, J. D.; Barrios, M. A.; Dewald, E. L.; Moody, J.; Patterson, J. R.; Schneider, M.; Widmann, K. [Lawrence Livermore National Laboratory, P.O. Box 808 L170, Livermore, California 94551 (United States); Hohenberger, M.; Regan, S. P. [Laboratory for Laser Energetics, University of Rochester, Rochester, New York 14623 (United States)

    2015-06-15

    High x-ray conversion efficiency (XRCE) K-shell sources are being developed for high energy density experiments for use as backlighters and for the testing of materials exposed to high x-ray fluxes and fluences. Recently, sources with high XRCE in the K-shell x-ray energy range of iron and nickel were investigated at the National Ignition Facility (NIF). The x-ray conversion efficiency in the 5–9 keV spectral range was determined to be 6.8% ± 0.3%. These targets were 4.1 mm diameter, 4 mm tall hollow epoxy tubes having a 50 μm thick wall supporting a tube of 3 to 3.5 μm thick stainless steel. The NIF laser deposited ∼460 kJ of 3ω light into the target in a 140 TW, 3.3 ns square pulse. The absolute x-ray emission of the source was measured by two calibrated Dante x-ray spectrometers. Time resolved images filtered for the Fe K-shell were recorded to follow the heating of the target. Time integrated high-resolution spectra were recorded in the K-shell range.

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

    Science.gov (United States)

    Cruz, Renato; Weissmüller, Gilberto; Farina, Marcos

    2003-01-01

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

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

    Science.gov (United States)

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

    2017-05-01

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

  15. Spectral analysis of K-shell X-ray emission of magnesium plasma ...

    Indian Academy of Sciences (India)

    2014-02-06

    Feb 6, 2014 ... Spectral analysis of K-shell X-ray emission of magnesium plasma, produced by laser pulses of 45 fs duration, focussed up to an intensity of ∼1018 W cm-2, is carried out. The plasma conditions prevalent during the emission of X-ray spectrum were identified by comparing the experimental spectra with the ...

  16. Widths of the atomic K-N7 levels

    CERN Document Server

    Campbell, J L

    2001-01-01

    Atomic level widths obtained from experimental measurements are collected in Table I, along with the corresponding theoretical widths derived from the Evaluated Atomic Data Library (EADL) of Lawrence Livermore National Laboratory; these EADL values are based upon the Dirac-Hartree-Slater version of the independent-particle model. In a minority of cases, many-body theory predictions are also provided. A brief discussion of the manner in which the experimental widths were deduced from spectroscopic data is included. The bulk of the data are for elements in the solid state, but a few data for gases and simple compounds are included. For the K, L2, L3, and M5 levels, where Coster-Kronig contributions do not contribute or contribute only to a small extent to the overall widths, the EADL predictions appear satisfactory for elements in the solid state. For other levels, where Coster-Kronig and super-Coster-Kronig transitions have large probabilities within the independent-particle model, this model is not satisfacto...

  17. Criticality safety evaluation of disposing of K Basin sludge in double-shell tank AW-105

    Energy Technology Data Exchange (ETDEWEB)

    ROGERS, C.A.

    1999-06-04

    A criticality safety evaluation is made of the disposal of K Basin sludge in double-shell tank (DST) AW-105 located in the 200 east area of Hanford Site. The technical basis is provided for limits and controls to be used in the development of a criticality prevention specification (CPS). A model of K Basin sludge is developed to account for fuel burnup. The iron/uranium mass ration required to ensure an acceptable magrin of subcriticality is determined.

  18. 76 FR 35934 - In the Matter of: SHC Corp. (f/k/a Victormaxx Technologies, Inc.), Shells Seafood Restaurants...

    Science.gov (United States)

    2011-06-20

    .../k/a Victormaxx Technologies, Inc.), Shells Seafood Restaurants, Inc., SI Restructuring, Inc. (f/k/a... Restaurants, Inc. because it has not filed any periodic reports since the period ended June 29, 2008. It...

  19. The grasp2K relativistic atomic structure package

    Science.gov (United States)

    Jönsson, P.; He, X.; Froese Fischer, C.; Grant, I. P.

    2007-10-01

    This paper describes grasp2K, a general-purpose relativistic atomic structure package. It is a modification and extension of the GRASP92 package by [F.A. Parpia, C. Froese Fischer, I.P. Grant, Comput. Phys. Comm. 94 (1996) 249]. For the sake of continuity, two versions are included. Version 1 retains the GRASP92 formats for wave functions and expansion coefficients, but no longer requires preprocessing and more default options have been introduced. Modifications have eliminated some errors, improved the stability, and simplified interactive use. The transition code has been extended to cases where the initial and final states have different orbital sets. Several utility programs have been added. Whereas Version 1 constructs a single interaction matrix for all the J's and parities, Version 2 treats each J and parity as a separate matrix. This block structure results in a reduction of memory use and considerably shorter eigenvectors. Additional tools have been developed for this format. The CPU intensive parts of Version 2 have been parallelized using MPI. The package includes a "make" facility that relies on environment variables. These make it easier to port the application to different platforms. The present version supports the 32-bit Linux and ibmSP environments where the former is compatible with many Unix systems. Descriptions of the features and the program/data flow of the package will be given in some detail in this report. Program summaryProgram title: grasp2K Catalogue identifier: ADZL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 213 524 No. of bytes in distributed program, including test data, etc.: 1 328 588 Distribution format: tar.gz Programming language: Fortran and C Computer: Intel

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

    Science.gov (United States)

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

    2017-08-01

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

  1. Efficient generation of Xe K-shell x rays by high-contrast interaction with submicrometer clusters.

    Science.gov (United States)

    Hayashi, Yukio; Pirozhkov, Alexander S; Kando, Masaki; Fukuda, Yuji; Faenov, Anatoly; Kawase, Keigo; Pikuz, Tatiana; Nakamura, Tatsufumi; Kiriyama, Hiromitsu; Okada, Hajime; Bulanov, Sergei V

    2011-05-01

    The interaction between a 25 TW laser and Xe clusters at a peak intensity of 1 × 10¹⁹ W/cm² has been investigated. Xe K-shell x rays, whose energies are approximately 30 keV, were clearly observed with a hard x-ray CCD at 3.4 MPa. Moreover, we studied the yield of the Xe K-shell x rays by changing the pulse duration of the laser at a constant laser energy and found that the pulse duration of 40 fs is better than that of 300 fs for generating Xe K-shell x rays.

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

    Science.gov (United States)

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

    2012-11-01

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

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

    KAUST Repository

    Nie, Anmin

    2012-01-01

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

  4. Shell

    OpenAIRE

    Harper, Catherine

    2006-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-01-15

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

  6. Investigation of systematic errors and estimation of $\\pi K$ atom lifetime

    CERN Document Server

    Yazkov, Valeriy

    2013-01-01

    This note describes details of analysis of data sample collected by DIRAC experiment on Ni target in 2008-2010 in order to estimate lifetime of $\\pi K$ atoms. Experimental results consists of six distinct data samples: both charge combinations ($\\pi^+K^−$ and $K^+\\pi^−$ atoms) obtained in dierent experimental conditions corresponding to each year of data-taking. Sources of systematic errors are analyzed, and estimations of systematic errors are presented. Taking into account both statistical and systematic uncertainties, the lifetime of $\\pi K$ atoms is estimated by maximum likelihood method.

  7. Measurements of the K-Shell Opacity of a Solid-Density Magnesium Plasma Heated by an X-Ray Free-Electron Laser.

    Science.gov (United States)

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

    2017-08-25

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-11-28

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

  9. Influences of atomic hydrogen on porous low-k dielectric for 45-nm node

    Energy Technology Data Exchange (ETDEWEB)

    Tomioka, K. [Semiconductor Leading Edge Technologies, Inc., 16-1 Onogawa, Tsukuba, Ibaraki, 305-8569 (Japan)]. E-mail: tomioka.kazuhiro@selete.co.jp; Soda, E. [Semiconductor Leading Edge Technologies, Inc., 16-1 Onogawa, Tsukuba, Ibaraki, 305-8569 (Japan); Kobayashi, N. [Semiconductor Leading Edge Technologies, Inc., 16-1 Onogawa, Tsukuba, Ibaraki, 305-8569 (Japan); Takata, M. [Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama-cho, Toyonaka, Osaka 560-8531 (Japan); Uda, S. [Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama-cho, Toyonaka, Osaka 560-8531 (Japan); Ogushi, K. [Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama-cho, Toyonaka, Osaka 560-8531 (Japan); Yuba, Y. [Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama-cho, Toyonaka, Osaka 560-8531 (Japan); Akasaka, Y. [Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama-cho, Toyonaka, Osaka 560-8531 (Japan)

    2007-04-23

    Atomic hydrogen generated by a heated tungsten catalyzer has been investigated in terms of the damage-less ash and restoration of damaged low-k dielectric. No difference of damaged thickness of low-k dielectric between before and after the ash by HF dip using patterned porous methyl silsesquioxane (MSQ) film was found. Moreover atomic hydrogen exposure slightly reduced capacitance of the micro-structured capacitor with the Cu wire and the CVD porous low-k dielectric.

  10. ORIGIN OF THE GALACTIC DIFFUSE X-RAY EMISSION: IRON K-SHELL LINE DIAGNOSTICS

    Energy Technology Data Exchange (ETDEWEB)

    Nobukawa, Masayoshi [Department of Teacher Training and School Education, Nara University of Education, Takabatake-cho, Nara, 630-8528 (Japan); Uchiyama, Hideki [Faculty of Education, Shizuoka University, 836 Ohya, Suruga-ku, Shizuoka, 422-8529 (Japan); Nobukawa, Kumiko K.; Koyama, Katsuji [Department of Physics, Graduate School of Science, Kyoto University, Kitashirakawa-oiwake-cho, Sakyo-ku, Kyoto, 606-8502 (Japan); Yamauchi, Shigeo, E-mail: nobukawa@nara-edu.ac.jp [Department of Physics, Nara Women’s University, Kitauoyanishimachi, Nara, 630-8506 (Japan)

    2016-12-20

    This paper reports detailed K-shell line profiles of iron (Fe) and nickel (Ni) of the Galactic Center X-ray Emission (GCXE), Galactic Bulge X-ray Emission (GBXE), Galactic Ridge X-ray Emission (GRXE), magnetic Cataclysmic Variables (mCVs), non-magnetic Cataclysmic Variables (non-mCVs), and coronally Active Binaries (ABs). For the study of the origin of the GCXE, GBXE, and GRXE, the spectral analysis is focused on equivalent widths of the Fe i-K α , Fe xxv-He α , and Fe xxvi-Ly α  lines. The global spectrum of the GBXE is reproduced by a combination of the mCVs, non-mCVs, and ABs spectra. On the other hand, the GRXE spectrum shows significant data excesses at the Fe i-K α and Fe xxv-He α  line energies. This means that additional components other than mCVs, non-mCVs, and ABs are required, which have symbiotic phenomena of cold gas and very high-temperature plasma. The GCXE spectrum shows larger excesses than those found in the GRXE spectrum at all the K-shell lines of iron and nickel. Among them the largest ones are the Fe i-K α , Fe xxv-He α , Fe xxvi-Ly α , and Fe xxvi-Ly β  lines. Together with the fact that the scale heights of the Fe i-K α , Fe xxv-He α , and Fe xxvi-Ly α lines are similar to that of the central molecular zone (CMZ), the excess components would be related to high-energy activity in the extreme envelopment of the CMZ.

  11. Projected shell model analysis of multi-quasiparticle high-K isomers in sup 1 sup 7 sup 4 Hf

    CERN Document Server

    Zhou Xian Rong; Sun Yang; Long Gui Lu

    2002-01-01

    Multi-quasiparticle high-K states in sup 1 sup 7 sup 4 Hf are studied in the framework of the projected shell model. The calculation reproduces well the observed ground-state band as well as most of the two- and four-quasiparticle rotational bands. Some as yet unobserved high-K isomeric states in sup 1 sup 7 sup 4 Hf are predicted. Possible reasons for the existing discrepancies between calculation and experiment are discussed. It is suggested that the projected shell model may be a useful method for studying multi-quasiparticle high-K isomers and the K-mixing phenomenon in heavy deformed nuclei

  12. K-shell X-ray spectroscopy of laser produced aluminum plasma

    Science.gov (United States)

    Kaur, Channprit; Chaurasia, S.; Poswal, A. K.; Munda, D. S.; Rossall, A. K.; Deo, M. N.; Sharma, Surinder M.

    2017-01-01

    Optimization of a laser produced plasma (LPP) X-ray source has been performed by analyzing K-shell emission spectra of Al plasma at a laser intensity of 1013-1014 W/cm2. The effect of varying the laser intensity on the emissivity of the K-shell resonance lines is studied and found to follow a power law, Ix =(IL) α with α=2.2, 2.3, 2.4 for Heβ, Heγ, Heδ respectively. The emission of these resonance lines has been found to be heavily anisotropic. A Python language based code has been developed to generate an intensity profile of K-shell spectral lines from the raw data. In theoretical calculations, the temperature is estimated by taking the ratio of the Li-like satellite (1s22p-1s2p3p) and the Heβ (1s2-1s3p) resonance line and the ratio of the He-like satellite (1s2p-2p2) and the Lyα (1s-2p) resonance line. To determine the plasma density, stark broadening of the Lyβ spectral line is used. Simulation was carried out using the FLYCHK code to generate a synthetic emission spectrum. The results obtained by FLYCHK are Te=160 eV, Th=1 keV, f=0.008, ne=5×1020 cm-3 and the analytical model resulted Te=260-419 eV and ne=3x1020 cm-3.

  13. K-shell emission trends from 60 to 130 cm/μs stainless steel implosions

    Science.gov (United States)

    Ampleford, D. J.; Jennings, C. A.; Jones, B.; Hansen, S. B.; Cuneo, M. E.; Coverdale, C. A.; Jones, M. C.; Flanagan, T. M.; Savage, M.; Stygar, W. A.; Lopez, M. R.; Apruzese, J. P.; Thornhill, J. W.; Giuliani, J. L.; Maron, Y.

    2013-10-01

    Recent experiments at the 20 MA Z Accelerator have demonstrated, for the first time, implosion velocities up to 110-130 cm/μs in imploding stainless steel wire arrays. These velocities, the largest inferred in a magnetically driven implosion, lead to ion densities of 2 × 1020 cm-3 with electron temperatures of ˜5 keV. These plasma conditions have resulted in significant increases in the K-shell radiated output of 5-10 keV photons, radiating powers of >30 TW and yields >80 kJ, making it the brightest laboratory x-ray source in this spectral region. These values represent a doubling of the peak power and a 30% increase in the yield relative to previous studies. The experiments also included wire arrays with slower implosions, which were observed to have lower temperatures and reduced K-shell output. These colder pinches, however, radiated 260 TW in the soft x-ray region, making them one of the brightest soft x-ray sources available.

  14. A dodecameric CcmK2 structure suggests β-carboxysomal shell facets have a double-layered organization.

    Science.gov (United States)

    Samborska, Bożena; Kimber, Matthew S

    2012-08-08

    Cyanobacteria fix carbon within carboxysomes. Here, RubisCO and carbonic anhydrase are coencapsulated within a semipermeable protein shell built from paralogs of the CcmK proteins. Crystal packing patterns suggest that the shell facets may be built as a single layer of CcmK molecules tiled hexagonally in a continuous sheet. We used fluorescence resonance energy transfer (FRET) to measure interactions mediated by CcmK paralogs from Thermosynechococcus elongatus. CcmK2-an abundant, universally present paralog-shows uniquely strong self-interactions. The CcmK2 structure reveals a back-to-back dodecameric organization, with interactions mediated by a helix comprised of residues 95-101. Modeling indicates that this dodecameric interaction could seamlessly fuse two sheets into a double-layered shell. This model predicts several aspects of CcmK2 interactions, including the attenuation of FRET by Glu95Ala variants at the dodecameric interface. This model also accurately predicts the observed shell thickness, implying that the β-carboxysome shell is most likely organized as a double layer. Copyright © 2012 Elsevier Ltd. All rights reserved.

  15. 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.

  16. Hybrid optical pumping of K and Rb atoms in a paraffin coated vapor cell

    Science.gov (United States)

    Li, Wenhao; Peng, Xiang; Budker, Dmitry; Wickenbrock, Arne; Pang, Bo; Zhang, Rui; Guo, Hong

    2017-10-01

    Dynamic hybrid optical pumping effects with a radio-frequency-field-driven nonlinear magneto-optical rotation (RF NMOR) scheme are studied in a dual-species paraffin coated vapor cell. By pumping K atoms and probing $^{87}$Rb atoms, we achieve an intrinsic magnetic resonance linewidth of 3 Hz and the observed resonance is immune to power broadening and light-shift effects. Such operation scheme shows favorable prospects for atomic magnetometry applications.

  17. 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

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

    Science.gov (United States)

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

    2017-08-01

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

  19. Low-Energy Nuclear Reactions Resulting as Picometer Interactions with Similarity to K-Shell Electron Capture

    Science.gov (United States)

    Hora, H.; Miley, G. H.; Li, X. Z.; Kelly, J. C.; Osman, F.

    2006-02-01

    Since the appeal by Brian Josephson at the meeting of the Nobel Laureates July 2004, it seems to be indicated to summarize the following serious, reproducible and confirmed observations on reactions of protons or deuterons incorporated in host metals such as palladium. Some reflections to Rutherford's discovery of nuclear physics, the Cockroft-Oliphant discovery of anomalous low-energy fusion reactions and the chemist Hahn's discovery of fission had to be included. Using gaseous atmosphere or discharges between palladium targets, rather significant results were seen e.g. from the "life after death" heat production of such high values per host atom that only nuclear reactions can be involved. This supports the earlier evaluation of neutron generation in fully reversible experiments with gas discharges hinting that a reasonable screening effect - preferably in the swimming electron layer - may lead to reactions at nuclear distances d of picometers with reaction probability times U of about megaseconds similar to the K-shell capture radioactivity. Further electrolytic experiments led to low-energy nuclear reactions (LENR) where the involvement of pollution could be excluded from the appearance of very seldom rare earth elements. A basically new theory for DD cross-sections is used to confirm the picometer-megasecond reactions of cold fusion. Other theoretical aspects are given from measured heavy element distributions similar to the standard abundance distribution, SAD, in the Universe with consequences on endothermic heavy nuclei generation, magic numbers and to quark-gluon plasmas.

  20. Metastable Innershell Molecular State (MIMS II: K-shell X-ray satellites in heavy ion impact on solids

    Directory of Open Access Journals (Sweden)

    Young K. Bae

    2014-01-01

    Full Text Available Metastable Innershell Molecular State (MIMS, an innershell-bound ultra-high-energy molecule, was previously proposed to explain a ∼40% efficiency of soft-X-ray generation in ∼0.05 keV/amu nanoparticle impact on solids. Here, the MIMS model has been extended and applied to interpreting the experimental K-shell X-ray satellite spectra for more than 40 years in keV-MeV/amu heavy-ion impact on solids. The binding energies of the K-shell MIMS of elements from Al to Ti were determined to be 80–200 eV. The successful extension of the model to the K-shell MIMS confirms that all elements in the periodic table and their combinations are subjected to the MIMS formation.

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

    Science.gov (United States)

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

    2015-02-21

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-15

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

  3. Electron Temperature Measurement of Buried Layer Targets Using Time Resolved K-shell Spectroscopy

    Science.gov (United States)

    Marley, Edward; Foord, M. E.; Shepherd, R.; Beiersdorfer, P.; Brown, G.; Chen, H.; Emig, J.; Schneider, M.; Widmann, K.; Scott, H.; London, R.; Martin, M.; Wilson, B.; Iglesias, C.; Mauche, C.; Whitley, H.; Nilsen, J.; Hoarty, D.; James, S.; Brown, C. R. D.; Hill, M.; Allan, P.; Hobbs, L.

    2016-10-01

    Short pulse laser-heated buried layer experiments have been performed with the goal of creating plasmas with mass densities >= 1 g/cm3 and electron temperatures >= 500 eV. The buried layer geometry has the advantage of rapid energy deposition before significant hydrodynamic expansion occurs. For brief periods (< 40 ps) this provides a low gradient, high density platform for studying emission characteristics under extreme plasma conditions. A study of plasma conditions achievable using the Orion laser facility has been performed. Time resolved K-shell spectroscopy was used to determine the temperature evolution of buried layer aluminum foil targets. The measured evolution is compared to a 2-D PIC simulation done using LSP, which shows late time heating from the non-thermal electron population. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  4. Fitted empirical reference cross sections for /ital K/-shell ionization by protons

    Energy Technology Data Exchange (ETDEWEB)

    Paul, H.; Sacher, J.

    1989-05-01

    On the basis of our recent reiew of experimental cross sections for /ital K/-shell ionization by light ions, we present a table of best-fitted cross sections for protons on all elements from /sub 4/Be to /sub 92/U. Experimental cross sections are first normalized by the ECPSSR theory of Brandt and Lapicki; then the normalized values are averaged, interpolated, and used to produce reference cross sections (19 values per enery decade). Particular attention is given to assigning a reasonable uncertainty to the reference values: the error consists of a calculated random contribution and an estimated systematic contribution which describes both the influence of a small deficiency of the theory and the influence of possible bias in the data. A complete list of experimental data is given. /copyright/ 1989 Academic Press, Inc.

  5. The gating cycle of a K+ channel at atomic resolution

    Energy Technology Data Exchange (ETDEWEB)

    Cuello, Luis G. [Center for Membrane Protein Research, Department of Cell Physiology and Molecular Biophysics, Texas Tech University Health Sciences Center, Lubbock, United States; Cortes, D. Marien [Center for Membrane Protein Research, Department of Cell Physiology and Molecular Biophysics, Texas Tech University Health Sciences Center, Lubbock, United States; Perozo, Eduardo [Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, United States

    2017-11-22

    C-type inactivation in potassium channels helps fine-tune long-term channel activity through conformational changes at the selectivity filter. Here, through the use of cross-linked constitutively open constructs, we determined the structures of KcsA’s mutants that stabilize the selectivity filter in its conductive (E71A, at 2.25 Å) and deep C-type inactivated (Y82A at 2.4 Å) conformations. These structural snapshots represent KcsA’s transient open-conductive (O/O) and the stable open deep C-type inactivated states (O/I), respectively. The present structures provide an unprecedented view of the selectivity filter backbone in its collapsed deep C-type inactivated conformation, highlighting the close interactions with structural waters and the local allosteric interactions that couple activation and inactivation gating. Together with the structures associated with the closed-inactivated state (C/I) and in the well-known closed conductive state (C/O), this work recapitulates, at atomic resolution, the key conformational changes of a potassium channel pore domain as it progresses along its gating cycle.

  6. Near-coincident K-line and K-edge energies as ionization diagnostics for some high atomic number plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, N. R. [Ecopulse, Inc., P.O. Box 528, Springfield, Virginia 22150 (United States); Weber, B. V.; Phipps, D. G.; Schumer, J. W. [Naval Research Laboratory, Washington, DC 20375 (United States); Seely, J. F. [Artep, Inc., 2922 Excelsior Springs Court, Ellicott City, Maryland 21042 (United States); Carroll, J. J. [Army Research Laboratory, Adelphi, Maryland 20873 (United States); Vanhoy, J. R. [United States Naval Academy, Annapolis, Maryland 21402 (United States); Slabkowska, K.; Polasik, M. [Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, 87-100 Torun (Poland)

    2012-10-15

    For some high atomic number atoms, the energy of the K-edge is tens of eVs higher than the K-line energy of another atom, so that a few eV increase in the line's energy results in a decreasing transmission of the x-ray through a filter of the matching material. The transmission of cold iridium's Asymptotically-Equal-To 63.287 keV K{alpha}{sub 2} line through a lutetium filter is 7% lower when emitted by ionized iridium, consistent with an energy increase of {Delta}{epsilon} Asymptotically-Equal-To 10{+-}1 eV associated with the ionization. Likewise, the transmission of the K{beta}{sub 1} line of ytterbium through a near-coincident K-edge filter changes depending on plasma parameters that should affect the ionization. Systematic exploration of filter-line pairs like these could become a unique tool for diagnostics of suitable high energy density plasmas.

  7. 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.

  8. Rate constant for the reaction of atomic oxygen with phosphine at 298 K

    Science.gov (United States)

    Stief, L. J.; Payne, W. A.; Nava, D. F.

    1987-01-01

    The rate constant for the reaction of atomic oxygen with phosphine has been measured at 298 K using flash photolysis combined with time-resolved detection of O(3P) via resonance fluorescence. Atomic oxygen was produced by flash photolysis of N2O or NO highly diluted in argon. The results were shown to be independent of (PH3), (O), total pressure and the source of O(3P). The mean value of all the experiments is k1 = (3.6 + or -0.8) x 10 to the -11th cu cm/s (1 sigma). Two previous measurements of k1 differed by more than an order of magnitude, and the results support the higher value obtained in a discharge flow-mass spectrometry study. A comparison with rate data for other atomic and free radical reactions with phosphine is presented, and the role of these reactions in the aeronomy or photochemistry of Jupiter and Saturn is briefly considered.

  9. K-shell Analysis Reveals Distinct Functional Parts in an Electron Transfer Network and Its Implications for Extracellular Electron Transfer

    Directory of Open Access Journals (Sweden)

    Dewu eDing

    2016-04-01

    Full Text Available Shewanella oneidensis MR-1 is capable of extracellular electron transfer (EET and hence has attracted considerable attention. The EET pathways mainly consist of c-type cytochromes, along with some other proteins involved in electron transfer processes. By whole genome study and protein interactions inquisition, we constructed a large-scale electron transfer network containing 2276 interactions among 454 electron transfer related proteins in S. oneidensis MR-1. Using the k-shell decomposition method, we identified and analyzed distinct parts of the electron transfer network. We found that there was a negative correlation between the ks (k-shell values and the average DR_100 (disordered regions per 100 amino acids in every shell, which suggested that disordered regions of proteins played an important role during the formation and extension of the electron transfer network. Furthermore, proteins in the top three shells of the network are mainly located in the cytoplasm and inner membrane; these proteins can be responsible for transfer of electrons into the quinone pool in a wide variety of environmental conditions. In most of the other shells, proteins are broadly located throughout the five cellular compartments (cytoplasm, inner membrane, periplasm, outer membrane and extracellular, which ensures the important EET ability of S. oneidensis MR-1. Specifically, the fourth shell was responsible for EET and the c-type cytochromes in the remaining shells of the electron transfer network were involved in aiding EET. Taken together, these results show that there are distinct functional parts in the electron transfer network of S. oneidensis MR-1, and the EET processes could achieve high efficiency through cooperation through such an electron transfer network.

  10. Hot surface ionic line emission and cold K-inner shell emission from petawatt-laser irradiated Cu foil targets

    Energy Technology Data Exchange (ETDEWEB)

    Theobald, W; Akli, K; Clarke, R; Delettrez, J A; Freeman, R R; Glenzer, S; Green, J; Gregori, G; Heathcote, R; Izumi, N; King, J A; Koch, J A; Kuba, J; Lancaster, K; MacKinnon, A J; Key, M; Mileham, C; Myatt, J; Neely, D; Norreys, P A; Park, H; Pasely, J; Patel, P; Regan, S P; Sawada, H; Shepherd, R; Snavely, R; Stephens, R B; Stoeckl, C; Storm, M; Zhang, B; Sangster, T C

    2005-12-13

    A hot, T{sub e} {approx} 2- to 3-keV surface plasma was observed in the interaction of a 0.7-ps petawatt laser beam with solid copper-foil targets at intensities >10{sup 20} W/cm{sup 2}. Copper K-shell spectra were measured in the range of 8 to 9 keV using a single-photon-counting x-ray CCD camera. In addition to K{sub {alpha}} and K{sub {beta}} inner-shell lines, the emission contained the Cu He{sub {alpha}} and Ly{sub {alpha}} lines, allowing the temperature to be inferred. These lines have not been observed previously with ultrafast laser pulses. For intensities less than 3 x 10{sup 18} W/cm{sup 2}, only the K{sub {alpha}} and K{sub {beta}} inner-shell emissions are detected. Measurements of the absolute K{sub {alpha}} yield as a function of the laser intensity are in agreement with a model that includes refluxing and confinement of the suprathermal electrons in the target volume.

  11. Roles of Hydration for Inducing Decomposition of 2-Deoxy-d-ribose by Ionization of Oxygen K-Shell Electrons.

    Science.gov (United States)

    Fujii, Kentaro; Izumi, Yudai; Narita, Ayumi; Ghose, Krishna Kamol; López-Tarifa, Pablo; Touati, Alain; Spezia, Riccardo; Vuilleumier, Rodolphe; Gaigeot, Marie-Pierre; Politis, Marie-Françoise; Du Penhoat, Marie-Anne Hervé; Yokoya, Akinari

    2018-01-08

    To experimentally investigate the role of hydration in the initial process of the decomposition of 2-deoxy-d-ribose (dR), which is a major component of the DNA backbone, we used mass spectrometry to monitor the ions desorbing from hydrated dR films exposed to monochromatic soft X rays (560 eV). The X-ray photons preferentially ionize the K-shell electrons of the oxygen atoms in DNA. Hydrated dR samples were prepared under vacuum by exposing a cooled (∼150 K) dR film deposited on a Si substrate to water vapor. Using a quadrupole mass spectrometer, we observed the desorption of ions such as H+, CH x+, C2H x+, CH xO+, C3H x+ and C2H xO+ ( x = 1, 2, 3 and 4). In addition, the desorption of H2O+ and H3O+ was observed in the mass spectra of hydrated dR films. Except for H+, the yields of these ions decreased when one layer of water molecules was deposited onto the film. These ions are produced by C-C or C-O bond scission. This result suggests that the water molecules act as a quencher, suppressing Coulomb repulsion and thus the extensive molecular decomposition of dR. Ab initio molecular dynamics simulations were performed to rationalize the fragments observed in the experiments. The results of the dynamical process of a hydrated dR molecule after oxygen K-ionization revealed elongation of a C-O bond of dR and the O-H bonds of both dR and water molecules prior to the Auger process, resulting in the ejection of H+ ions. These results strongly suggest that the very early process contributes to reducing the dR fragmentation, producing the H3O+ and H+ detected from the hydrated dR films. These desorbed ions may be involved in the induction of other types of damage, such as oxidatively generated base lesions, concomitantly produced with a strand break when produced in DNA.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-15

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

  13. Polarization of K-shell Dielectronic Recombination Satellite Lines of Fe XIX–XXV and Its Application for Diagnostics of Anisotropies of Hot Plasmas

    Science.gov (United States)

    Shah, Chintan; Amaro, Pedro; Steinbrügge, René; Bernitt, Sven; Crespo López-Urrutia, José R.; Tashenov, Stanislav

    2018-02-01

    We present a systematic measurement of the X-ray emission asymmetries in the K-shell dielectronic, trielectronic, and quadruelectronic recombination of free electrons into highly charged ions. Iron ions in He-like through O-like charge states were produced in an electron beam ion trap, and the electron–ion collision energy was scanned over the recombination resonances. Two identical X-ray detectors mounted head-on and side-on with respect to the electron beam propagation recorded X-rays emitted in the decay of resonantly populated states. The degrees of linear polarization of X-rays inferred from observed emission asymmetries benchmark distorted-wave predictions of the Flexible Atomic Code for several dielectronic recombination satellite lines. The present method also demonstrates its applicability for diagnostics of energy and direction of electron beams inside hot anisotropic plasmas. Both experimental and theoretical data can be used for modeling of hot astrophysical and fusion plasmas.

  14. Edge profiles in K shell photoabsorption spectra of gaseous hydrides of 3p elements and homologues

    Science.gov (United States)

    Hauko, R.; Gomilšek, J. Padežnik; Kodre, A.; Arčon, I.; Aquilanti, G.

    2017-10-01

    Photoabsorption spectra of gaseous hydrides of 3p elements (PH3, H2S, HCl) are measured in the energy region of photoexcitations pertaining to K edge. The analysis of the edge profile is extended to hydrides of 4p series (GeH4, AsH3, H2Se, HBr) from an earlier experiment, and to published spectra of 2p hydrides (CH4, NH3, H2O, HF) and noble gases Ar, Kr and Ne and SiH4. The edge profiles are modelled with a linear combination of lorentzian components, describing excitations to individual bound states and to continuum. Transition energies and probabilities are also calculated in the non-relativistic molecular model of the ORCA code, in good agreement with the experiment. Edge profiles in the heavier homologues are closely similar, the symmetry of the molecule governs the transitions to the lowest unoccupied orbitals. In 2p series the effect of the strong nuclear potential prevails. Transitions to higher, atomic-like levels remain very much the same as in free atoms.

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

    Science.gov (United States)

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

    2017-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

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

    CERN Document Server

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

    1981-01-01

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

  18. Convective-reactive nucleosynthesis of K, Sc, Cl and p-process isotopes in O-C shell mergers

    Science.gov (United States)

    Ritter, C.; Andrassy, R.; Côté, B.; Herwig, F.; Woodward, P. R.; Pignatari, M.; Jones, S.

    2018-02-01

    We address the deficiency of odd-Z elements P, Cl, K and Sc in Galactic chemical evolution models through an investigation of the nucleosynthesis of interacting convective O and C shells in massive stars. 3D hydrodynamic simulations of O-shell convection with moderate C-ingestion rates show no dramatic deviation from spherical symmetry. We derive a spherically averaged diffusion coefficient for 1D nucleosynthesis simulations, which show that such convective-reactive ingestion events can be a production site for P, Cl, K and Sc. An entrainment rate of 10-3 M⊙ s-1 features overproduction factors OPs ≈ 7. Full O-C shell mergers in our 1D stellar evolution massive star models have overproduction factors OPm > 1 dex but for such cases 3D hydrodynamic simulations suggest deviations from spherical symmetry. γ-process species can be produced with overproduction factors of OPm > 1 dex, for example, for 130, 132Ba. Using the uncertain prediction of the 15 M⊙, Z = 0.02 massive star model (OPm ≈ 15) as representative for merger or entrainment convective-reactive events involving O- and C-burning shells, and assume that such events occur in more than 50 per cent of all stars, our chemical evolution models reproduce the observed Galactic trends of the odd-Z elements.

  19. Quantifying immediate price impact of trades based on the k-shell decomposition of stock trading networks

    Science.gov (United States)

    Xie, Wen-Jie; Li, Ming-Xia; Xu, Hai-Chuan; Chen, Wei; Zhou, Wei-Xing; Stanley, H. Eugene

    2016-10-01

    Traders in a stock market exchange stock shares and form a stock trading network. Trades at different positions of the stock trading network may contain different information. We construct stock trading networks based on the limit order book data and classify traders into k classes using the k-shell decomposition method. We investigate the influences of trading behaviors on the price impact by comparing a closed national market (A-shares) with an international market (B-shares), individuals and institutions, partially filled and filled trades, buyer-initiated and seller-initiated trades, and trades at different positions of a trading network. Institutional traders professionally use some trading strategies to reduce the price impact and individuals at the same positions in the trading network have a higher price impact than institutions. We also find that trades in the core have higher price impacts than those in the peripheral shell.

  20. The dynamics of Ca2+ ions within the solvation shell of calbindin D9k.

    Directory of Open Access Journals (Sweden)

    Elad Project

    Full Text Available The encounter of a Ca(2+ ion with a protein and its subsequent binding to specific binding sites is an intricate process that cannot be fully elucidated from experimental observations. We have applied Molecular Dynamics to study this process with atomistic details, using Calbindin D9k (CaB as a model protein. The simulations show that in most of the time the Ca(2+ ion spends within the Debye radius of CaB, it is being detained at the 1st and 2nd solvation shells. While being detained near the protein, the diffusion coefficient of the ion is significantly reduced. However, due to the relatively long period of detainment, the ion can scan an appreciable surface of the protein. The enhanced propagation of the ion on the surface has a functional role: significantly increasing the ability of the ion to scan the protein's surface before being dispersed to the bulk. The contribution of this mechanism to Ca(2+ binding becomes significant at low ion concentrations, where the intervals between successive encounters with the protein are getting longer. The efficiency of the surface diffusion is affected by the distribution of charges on the protein's surface. Comparison of the Ca(2+ binding dynamics in CaB and its E60D mutant reveals that in the wild type (WT protein the carboxylate of E60 function as a preferred landing-site for the Ca(2+ arriving from the bulk, followed by delivering it to the final binding site. Replacement of the glutamate by aspartate significantly reduced the ability to transfer Ca(2+ ions from D60 to the final binding site, explaining the observed decrement in the affinity of the mutated protein to Ca(2+.

  1. K-Vacancy Production in the Collision of Highly Charged Relativistic Ions With Heavy Atoms

    OpenAIRE

    KHABIBULLAEV, P. K.

    2000-01-01

    A general expression for the cross section of the inelastic collision of relativistic highly charged ion with heavy (relativistic) atoms is obtained using the generalized eikonal approximation. In the ultrarelativistic limit, the obtained formula coincides with a known exact one. As an application of the obtained result, probability and cross section of the K-vacany production in the U92+ - U91+ collision are calculated.

  2. Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms

    Science.gov (United States)

    Borkowski, Mateusz; Buchachenko, Alexei A.; Ciuryło, Roman; Julienne, Paul S.; Yamada, Hirotaka; Kikuchi, Yuu; Takahashi, Kakeru; Takasu, Yosuke; Takahashi, Yoshiro

    2017-12-01

    We present high-resolution two-color photoassociation spectroscopy of Bose-Einstein condensates of ytterbium atoms. The use of narrow Raman resonances and careful examination of systematic shifts enabled us to measure 13 bound-state energies for three isotopologues of the ground-state ytterbium molecule with standard uncertainties of the order of 500 Hz. The atomic interactions are modeled using an ab initio based mass-scaled Born-Oppenheimer potential whose long-range van der Waals parameters and total WKB phase are fitted to experimental data. We find that the quality of the fit of this model, of about 112.9 kHz (rms) can be significantly improved by adding the recently calculated beyond-Born-Oppenheimer (BBO) adiabatic corrections [J. J. Lutz and J. M. Hutson, J. Mol. Spectrosc. 330, 43 (2016), 10.1016/j.jms.2016.08.007] and by partially treating the nonadiabatic effects using distance-dependent reduced masses. Our BBO interaction model represents the experimental data to within about 30.2 kHz on average, which is 3.7 times better than the "reference" Born-Oppenheimer model. We calculate the s -wave scattering lengths for bosonic isotopic pairs of ytterbium atoms with error bars over two orders of magnitude smaller than previous determinations. For example, the s -wave scattering length for 174Yb is +5.55812 (50 ) nm.

  3. Probing/Manipulating the Interfacial Atomic Bonding between High k Dielectrics and InGaAs for Ultimate CMOS

    Science.gov (United States)

    2015-04-24

    10.1039/C4CE00734D 2014 3. “III-V Compound Semiconductor Transistors – From Planar to Nanowire Structures”, H. Riel, L.-E. Wernersson, M. Hong, J...extract interface state densities at atomic-layer-deposited high-k dielectric/III-V heterostructures ”, Y. T. Fanchiang, Y. K. Su, K. S. Chen, Y. C

  4. A study of K I 7699 Å and related shell lines during the recent eclipse of ɛ Aurigae

    Science.gov (United States)

    Muthumariappan, C.; Parthasarathy, M.; Leadbeater, R.; Potravnov, I. S.; Appakutty, M.; Jayakumar, K.

    2014-12-01

    We report high-resolution (R = 30 000, 45 000 and 75 000) echelle and medium-resolution (R = 22 000 and 10 000) spectroscopic observations of the long period, eclipsing binary ɛ Aurigae during the 2009-2011 eclipse. Low-excitation shell lines, viz, the K I line at 7699 Å (with 346 data points), Cr I lines at 5345.807 and 5348.326 Å and Fe I line at 5110.435 Å which originated from the disc shaped secondary, Hα and the shell components of the Na D1 and D2 lines show significant variation in their shapes and radial velocities during the eclipse. The equivalent width curve shown by the K I line around the ingress and egress phases indicates that the gas density in the trailing edge is about a factor of 2 higher than the density in the leading edge. Using a geometrical model, in which a homogeneous, cylindrical Keplarian disc eclipses the F0Ia primary star and the shell absorption lines originate from the gaseous atmosphere around an opaque disc, we fit the equivalent width and the radial velocity curves of the K I line covering the full eclipse. A reasonably good fit can be achieved by a low-mass binary model where the mass of the central star of the disc is 5.4 M⊙ and the mass of the primary is 2.5 M⊙ and a disc size of 8.9 au. The low mass of the primary, with enhanced s-process elements found by Sadakane et al., supports that it is a post-asymptotic giant branch F supergiant. For the high-mass binary model, the modelled radial velocity curve deviates significantly from the observations.

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

    Science.gov (United States)

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

    2014-12-12

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

  6. Studies in K-shell X-ray energy shift for a 2p spectator vacancy

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-10-01

    We examine a simple model for calculating X-ray energy shifts due to outer atomic vacancies and present some case studies. We find that this model is a good supplement for the traditional approach to the problem. (orig.).

  7. Plasma Effects On Atomic Data For The K-Vacancy States Of Highly Charged Iron Ions

    OpenAIRE

    Deprince, J; Fritzsche, S; Kallman, T. R.; Palmeri, P; Quinet, Pascal

    2017-01-01

    The main goal of the present work is to estimate the effects of plasma environment on the atomic parameters associated with the K-vacancy states in highly charged iron ions within the astrophysical context of accretion disks around black holes. In order to do this, multiconfiguration Dirac-Fock computations have been carried out by considering a time averaged Debye-H\\"uckel potential for both the electron-nucleus and electron-electron interactions. In the present paper, a first sample of resu...

  8. Prominent role of multi-electron processes in K-shell double and triple photodetachment of oxygen anions

    CERN Document Server

    Schippers, S; Abrok, L; Bari, S; Buhr, T; Martins, M; Ricz, S; Viefhaus, J; Fritzsche, S; Müller, A

    2016-01-01

    The photon-ion merged-beams technique was used at a synchrotron light source for measuring absolute cross sections of double and triple photodetachment of O$^{-}$ ions. The experimental photon energy range of 524-543 eV comprised the threshold for K-shell ionization. Using resolving powers of up to 13,000, the position, strength and width of the below-threshold 1s 2s2 2p6 2S resonance as well as the positions of the 1s 2s2 2p5 3P and 1s 2s2 2p5 1P thresholds for K-shell ionization were determined with high precision. In addition, systematically enlarged multi-configuration Dirac-Fock calculations have been performed for the resonant detachment cross sections. Results from these ab-initio computations agree very well with the measurements for the widths and branching fractions for double and triple detachment, if double shake-up (and -down) of the valence electrons and the rearrangement of the electron density is taken into account. For the absolute cross sections, however, a previously found discrepancy betwe...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-25

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

  10. Probing the N = 32 shell closure below the magic proton number Z = 20: Mass measurements of the exotic isotopes $^{52,53}$K

    CERN Document Server

    Rosenbusch, M.; Atanasov, D.; Barbieri, C.; Beck, D.; Blaum, K.; Borgmann, Ch.; Breitenfeldt, M.; Cakirli, R.B.; Cipollone, A.; George, S.; Herfurth, F.; Kowalska, M.; Kreim, S.; Lunney, D.; Manea, V.; Navrátil, P.; Neidherr, D.; Schweikhard, L.; Somà, V.; Stanja, J.; Wienholtz, F.; Wolf, R.N.; Zuber, K.

    2015-01-01

    The recently confirmed neutron-shell closure at N = 32 has been investigated for the first time below the magic proton number Z = 20 with mass measurements of the exotic isotopes 52,53K, the latter being the shortest-lived nuclide investigated at the online mass spectrometer ISOLTRAP. The resulting two-neutron separation energies reveal a 3 MeV shell gap at N = 32, slightly lower than for 52Ca, highlighting the doubly-magic nature of this nuclide. Skyrme-Hartree-Fock-Boguliubov and ab initio Gorkov-Green function calculations are challenged by the new measurements but reproduce qualitatively the observed shell effect.

  11. Spatially-Resolved Argon and Neon K-Shell X-Ray Spectra from Triple-Nozzle Gas-Puff Z-Pinches on Cobra

    Science.gov (United States)

    Qi, Niansheng; de Grouchy, Philip; Hoyt, Cad; Shelkovenko, Tania; Pikuz, Sergei; Atoyan, Levon; Potter, William; Cahill, Adam; Greenly, John; Kusse, Bruce; Hammer, David

    2014-10-01

    We present the x-ray spectra obtained during Ar/Ne gas puff z-pinch experiments on the 1MA, 200ns COBRA pulsed power generator at Cornell University. A triple-nozzle gas-puff, which produces two annular (``outer'' and ``inner'') gas puffs and a high density center jet, is used to tailor the radial mass density distribution. Argon and/or neon plasmas are imploded. Filtered x-ray photo-conducting detectors are used for timing the neon and argon K-shell emission and a filtered x-ray pinhole camera images the K-shell x-ray source size. A spectrometer with three spherical mica crystals is used to capture the K-shell x-ray emission. Our objective is to diagnose the Ar and Ne pinch plasma densities (1019-1020 cm-3) and temperatures (0.5-2 keV) with 0.1 mm axial and/or radial spatial resolution from the K-shell X-ray spectra. The He-like resonance to intercombination line ratio will be used to estimate the electron density and the He-like resonance to Li-like satellite line ratio will be used to estimate the electron temperature. We will also add Cl as a dopant in either the center Ar gas jet or inner annular puff for K-shell x-ray spectrum studies. Work supported by DOE Grant No. DE-NA0001836.

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

    Science.gov (United States)

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

    2017-04-01

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

  13. Effective atomic number estimation using kV-MV dual-energy source in LINAC.

    Science.gov (United States)

    Sakata, Dousatsu; Haga, Akihiro; Kida, Satoshi; Imae, Toshikazu; Takenaka, Shigeharu; Nakagawa, Keiichi

    2017-07-01

    Dual-energy computed tomography (DECT) imaging can measure the effective atomic number (EAN) as well as the electron density, and thus its adoption may improve dose calculations in brachytherapy and external photon/particle therapy. An expanded energy gap in dual-energy sources is expected to yield more accurate EAN estimations than conventional DECT systems, which typically span less than 100kV. The aim of this paper is to assess a larger energy gap DECT by using a linear accelerator (LINAC) radiotherapy system with a kV X-ray imaging device, which are combined to provide X-rays in both the kV- and MV-energy ranges. Traditionally, the EAN is determined by parameterising the Hounsfield Unit; however, this is difficult in a kV-MV DECT due to different uncertainties in the reconstructed attenuation coefficient at each end of the energy spectrum. To overcome this problem, we included a new calibration step to produce the most likely linear attenuation coefficients, based upon the X-ray spectrum. To determine the X-ray spectrum, Monte Carlo calculations using GEANT4 were performed. Then the images were calibrated using information from eight inserts of known materials in a CIRS phantom (CIRS Inc., Norfolk, VA). Agreement between the estimated and empirical EANs in these inserts was within 11%. Validation was subsequently performed with the CatPhan500 phantom (The Phantom Laboratory, Salem). The estimated EAN for seven inserts agreed with the empirical values to within 3%. Accordingly, it can be concluded that, given properly reconstructed images based upon a well-determined X-ray spectrum, kV-MV DECT provides an excellent prediction for the EAN. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  14. The estimation of production rates of $\\pi^+K^-, \\pi^-K^+$ and $\\pi^+\\pi^-$ atoms in proton-nucleus interactions at 450 GeV/c

    CERN Document Server

    Gorchakov, O

    2015-01-01

    Short-lived (τ ∼ 3 × 10 − 15 s) π+ K− , K+ π− and π+ π− atoms as well as long- lived (τ ≥ 1 × 10 − 11 s) π+ π− atoms produced in proton-nucleus interactions at 24 GeV/c are observed and studied in the DIRAC experiment at the CERN PS. The purpose of this paper is to show that the yields of the short-lived π+ K−, K+ π− and π+ π− atoms in proton-nucleus interactions at 450 GeV/c and θ lab = 4◦ are estimated to be, respectively, 17, 38 and 16 times higher per time unit. This may allow significantly improving the precision of their lifetime measurement and ππ and πK scattering length combinations |a0 − a2| and |a 1/2 − a3/2| . The yields of the long-lived π+ K− , K+ π− and π+ π− atoms at 450 GeV/c are estimated to be 370, 1600 and 750 times higher than at 24 GeV/c. This may allow the resonance method to be used for measuring the Lamb shift in the ππ atom and a new ππ scattering length combination 2 a0 + a2 to be obtained.

  15. Local structural studies of Ba(1-x)K(x)Fe2As2 using atomic pair distribution function analysis.

    Science.gov (United States)

    Joseph, B; Zinth, V; Brunelli, M; Maroni, B; Johrendt, D; Malavasi, L

    2011-03-23

    Systematic local structural studies of the Ba(1-x)K(x)Fe(2)As(2) system are undertaken at room temperature using atomic pair distribution function analysis. The local structure of the Ba(1-x)K(x)Fe(2)As(2) is found to be well described by the long-range structure extracted from diffraction experiments, but with anisotropic atomic vibrations of the constituent atoms (U11 = U22 not equal U33). The crystal unit cell parameters, the FeAs(4) tetrahedral angle and the pnictogen height above the Fe-plane are seen to show systematic evolution with K doping, underlining the importance of the structural changes, in addition to the charge doping, in determining the properties of Ba(1-x)K(x)Fe(2)As(2).

  16. Atomic layer deposition of (K,Na)(Nb,Ta)O{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Sønsteby, Henrik Hovde, E-mail: henrik.sonsteby@kjemi.iuio.no; Nilsen, Ola; Fjellvåg, Helmer [Department of Chemistry, University of Oslo, Sem Sælands vei 26, 0371 Oslo (Norway)

    2016-07-15

    Thin films of complex alkali oxides are frequently investigated due to the large range of electric effects that are found in this class of materials. Their piezo- and ferroelectric properties also place them as sustainable lead free alternatives in optoelectronic devices. Fully gas-based routes for deposition of such compounds are required for integration into microelectronic devices that need conformal thin films with high control of thickness- and composition. The authors here present a route for deposition of materials in the (K,Na)(Nb,Ta)O{sub 3}-system, including the four end members NaNbO{sub 3}, KNbO{sub 3}, NaTaO{sub 3}, and KTaO{sub 3}, using atomic layer deposition with emphasis on control of stoichiometry in such mixed quaternary and quinary compunds.

  17. Effect of carbon K-shell excitation on H{sup +} desorption and color center formation in anthracene crystal

    Energy Technology Data Exchange (ETDEWEB)

    Shimoyama, Iwao; Nakagawa, Kazumichi; Kimura, Aiko [Kobe Univ. (Japan); Kato, Ryuzi; Kotani, Masahiro; Sekitani, Tetsuji; Maruyama, Jun-ya; Tanaka, Ken-ichiro

    1995-03-01

    We measured absolute values of quantum yield {eta}{sub c}(h{nu}) of color center formation and quantum yield {eta}{sub 5}(h{nu}) of singlet excitons in anthracene single crystals as a function of soft X-ray photon energy h{nu}. {eta}{sub c}(h{nu}) shows a resonance at the carbon K-shell energy, while {eta}{sub 5}(h{nu}) shows no resonance. A model to describe the energy dependence of {eta}{sub c}(h{nu}) and {eta}{sub 5}(h{nu}) is suggested. Moreover, we report a result of our recent experiment on photostimulated desorption for condensed phase of benzene. (author).

  18. Ultrafast isomerization in acetylene dication after carbon K-shell ionization

    Czech Academy of Sciences Publication Activity Database

    Li, Z.; Inhester, L.; Liekhus-Schmaltz, C.; Curchod, B.F.E.; Snyder Jr., J.W.; Medvedev, Nikita; Cryan, J.P.; Osipov, T.; Pabst, S.; Vendrell, O.; Bucksbaum, P.; Martinez, T.J.

    2017-01-01

    Roč. 8, č. 1 (2017), s. 1-7, č. článku 453. ISSN 2041-1723 R&D Projects: GA MŠk LG15013 Institutional support: RVO:68378271 Keywords : molecular-dynamics * conical intersection * electronic states * ab-initio * vinylidene Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 12.124, year: 2016

  19. K-Shell Photoabsorption and Photoionisation of Trace Elements I. Isoelectronic Sequences With Electron Number 3< or = N < or = 11

    Science.gov (United States)

    Palmeri, P.; Quinet, P.; Mendoza, C.; Bautista, M. A.; Witthoeft, M. C.; Kallman, T. R.

    2016-01-01

    Context. With the recent launching of the Hitomi X-ray space observatory, K lines and edges of chemical elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn, can be resolved and used to determine important properties of supernova remnants, galaxy clusters and accreting black holes and neutron stars.Aims. The second stage of the present ongoing project involves the computation of the accurate photoabsorption and photoionisation cross sections required to interpret the X-ray spectra of such trace elements.Methods. Depending on target complexity and computer tractability, ground-state cross sections are computed either with the close-coupling Breit-Pauli R-matrix method or with the autostructure atomic structure code in the isolated-resonance approximation. The intermediate-coupling scheme is used whenever possible. In order to determine a realistic K-edge behaviour for each species, both radiative and Auger dampings are taken into account, the latter being included in the R-matrix formalism by means of an optical potential.Results. Photoabsorption and total and partial photoionisation cross sections are reported for isoelectronic sequences with electron numbers 3 11 as they contribute significantly to the monotonic background of the cross section between the L and K edges. Configurations with 3d orbitals are important in rendering an accurate L edge, but they can be practically neglected in the K-edge region.

  20. 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.

  1. Space-time-wave number-frequency Z(x, t, k, f) analysis of SAW generation on fluid filled cylindrical shells.

    Science.gov (United States)

    Martinez, Loïc; Morvan, Bruno; Izbicki, Jean Louis

    2004-04-01

    A new 4D space-time-wave number-frequency representation Z(x,t,k,f) is introduced. The Z(x,t,k,f) representation is used for processing 2D space-time signal collection issued from wave propagation along a 1D medium. This representation is an extension along the time dimension of the space-wave number-frequency representation. The Z(x,t,k,f) representation is obtained by short time-space 2D Fourier transforming the space-time collection. The Z(x,t,k,f) representation allows the characterization transient aspects of wave generation and propagation in both space and time dimensions. The Z(x,t,k,f) representation is used to experimentally investigate Lamb wave generation and propagation around a cylindrical shell (relative thickness is equal to 0.03) surrounded by water and excited by a pulse (0.1 micros duration with 1-5 MHz transducers). Three kinds of fluids have been used inside the shell: air, water, propanol. In all the cases, the Z(x,t,k,f) analysis clearly identify the reflected field on the insonified side of the shell and it allows the measurement of the local reflection coefficients R(x,t,k,f). The generation and the propagation of Lamb waves are also quantified. For the liquid filled shells, the multiple internal reflections are revealed by Z(x,t,k,f) analysis: the local transmission coefficients T(x,t,k,f) are also measured. When local matching conditions allows Lamb wave generation, the multiple regeneration of Lamb wave is observed. Based on these results, a link is establish toward the theoretical results obtained by steady state approach and Sommerfeld-Watson transform.

  2. Upgraded DIRAC spectrometer at CERN PS for the investigation of ππ and πK atoms

    Energy Technology Data Exchange (ETDEWEB)

    Adeva, B. [Santiago de Compostela University (Spain); Afanasyev, L. [JINR, Dubna (Russian Federation); Allkofer, Y. [Zurich University (Switzerland); Amsler, C. [Albert Einstein Centre for Fundamental Physics, Laboratory of High Energy Physics, Bern (Switzerland); Anania, A. [INFN, Sezione di Trieste and Messina University, Messina (Italy); Aogaki, S. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Benelli, A. [Czech Technical University in Prague (Czech Republic); Brekhovskikh, V. [IHEP, Protvino (Russian Federation); Caragheorgheopol, Gh. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Cechak, T. [Czech Technical University in Prague (Czech Republic); Chiba, M. [Tokyo Metropolitan University (Japan); Chliapnikov, P. [IHEP, Protvino (Russian Federation); Ciocarlan, C.; Constantinescu, S. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); Detraz, C. [CERN, Geneva (Switzerland); Doskarova, P. [Czech Technical University in Prague (Czech Republic); Drijard, D. [CERN, Geneva (Switzerland); Dudarev, A. [JINR, Dubna (Russian Federation); Duma, M.; Dumitriu, D. [IFIN-HH, National Institute for Physics and Nuclear Engineering, Bucharest (Romania); and others

    2016-12-11

    The DIRAC spectrometer installed at CERN PS was upgraded in order to study simultaneously A{sub 2π} and A{sub πK} atoms, namely the bound states of two π mesons, and of π and K mesons, respectively. The detector system can now accept a high intensity beam of 2–6×10{sup 11} primary protons per second. The electronics and the data-acquisition system can handle a very large amount of data to identify π, K, p, e and µ, allowing the selection of ππ and πK pairs in the offline analysis. The resolution of the longitudinal and transverse components of the relative momentum Q of each meson pair in their center-of-mass system with respect to the direction of the pair was substantially improved. The analysis of their distributions allowed an reliable separation between the meson pairs originating from hadronic atoms and the backgrounds permitting the measurement of the lifetimes of hadronic atoms in the ground state and π–π, π–K s-wave scattering lengths. The upgraded setup also allowed the study of the long-lived excited states of ππ atoms.

  3. NARROW Na AND K ABSORPTION LINES TOWARD T TAURI STARS: TRACING THE ATOMIC ENVELOPE OF MOLECULAR CLOUDS

    Energy Technology Data Exchange (ETDEWEB)

    Pascucci, I.; Simon, M. N. [Lunar and Planetary Laboratory, The University of Arizona, Tucson, AZ 85721 (United States); Edwards, S. [Five College Astronomy Department, Smith College, Northampton, MA 01063 (United States); Heyer, M. [Department of Astronomy, University of Massachusetts, Amherst, MA 01003-9305 (United States); Rigliaco, E. [Institute for Astronomy, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-8093 Zurich (Switzerland); Hillenbrand, L. [Department of Astronomy, California Institute of Technology, Pasadena, CA 91125 (United States); Gorti, U.; Hollenbach, D., E-mail: pascucci@lpl.arizona.edu [SETI Institute, Mountain View, CA 94043 (United States)

    2015-11-20

    We present a detailed analysis of narrow Na i and K i absorption resonance lines toward nearly 40 T Tauri stars in Taurus with the goal of clarifying their origin. The Na i λ5889.95 line is detected toward all but one source, while the weaker K i λ7698.96 line is detected in about two-thirds of the sample. The similarity in their peak centroids and the significant positive correlation between their equivalent widths demonstrate that these transitions trace the same atomic gas. The absorption lines are present toward both disk and diskless young stellar objects, which excludes cold gas within the circumstellar disk as the absorbing material. A comparison of Na i and CO detections and peak centroids demonstrates that the atomic gas and molecular gas are not co-located, the atomic gas being more extended than the molecular gas. The width of the atomic lines corroborates this finding and points to atomic gas about an order of magnitude warmer than the molecular gas. The distribution of Na i radial velocities shows a clear spatial gradient along the length of the Taurus molecular cloud filaments. This suggests that absorption is associated with the Taurus molecular cloud. Assuming that the gradient is due to cloud rotation, the rotation of the atomic gas is consistent with differential galactic rotation, whereas the rotation of the molecular gas, although with the same rotation axis, is retrograde. Our analysis shows that narrow Na i and K i absorption resonance lines are useful tracers of the atomic envelope of molecular clouds. In line with recent findings from giant molecular clouds, our results demonstrate that the velocity fields of the atomic and molecular gas are misaligned. The angular momentum of a molecular cloud is not simply inherited from the rotating Galactic disk from which it formed but may be redistributed by cloud–cloud interactions.

  4. Picosecond Time-Resolved Temperature and Density Measurements with K-Shell Spectroscopy

    Science.gov (United States)

    Stillman, C. R.; Nilson, P. M.; Ivancic, S. T.; Mileham, C.; Froula, D. H.; Golovkin, I. E.

    2017-10-01

    The thermal x-ray emission from rapidly heated solid targets containing a buried-aluminum layer was measured to track the evolution of the bulk plasma conditions. The targets were driven by high-contrast 1 ω laser pulses at focused intensities up to 1 × 1019 W/cm2. A streaked x-ray spectrometer recorded the AlHeα and lithium-like satellite lines with 2-ps temporal resolution and moderate resolving power (E E ΔE 1000 ΔE 1000) . Time-integrated measurements over the same spectral range were used to correct the streaked data for variations in photocathode sensitivity. Linewidths and intensity ratios from the streaked data were interpreted using a collisional radiative atomic kinetics model to provide the average plasma conditions in the buried layer as a function of time. Experimental uncertainties in the measured plasma conditions are quantified within a consistent model-dependent framework. The data demonstrate the production of a 330 +/-56 eV, 0.9 +/-0.3 g/cm3 plasma that evolves slowly during peak Heα emission. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.

  5. Valence-shell single photoionization of Chlorine-like K$^{2+}$ ions: Experiment and Theory

    CERN Document Server

    Alna'Washi, G A; Habibi, M; Esteves-Macaluso, D; Wang, J C; Phaneuf, R A; Kilcoyne, A L D; Cisneros, C; McLaughlin, B M

    2014-01-01

    The absolute single photoionization cross-section was measured for Cl-like K$^{2+}$ over the photon energy range from 44.2 - 69.7 eV at a constant energy resolution of 0.045 eV. The experiments were performed by merging an ion beam with a beam of synchrotron radiation from an undulator. The ground-state ionization threshold was measured at 0.004 eV energy resolution to be 45.717 $\\pm$ 0.030 eV. The measurements are rich in resonance structure due to multiple Rydberg series of transitions to autoionizing states. These series are assigned spectroscopically using the quantum defect method, guided by pseudo-relativistic Hartree-Fock calculations for the energies and oscillator strengths of transitions to autoionizing states. The experimental results, which include significant contributions from K$^{2+}$ ions initially in metastable states, are in satisfactory agreement with a linear superposition of semi-relativistic R-matrix calculations of photoionization cross sections from these initial states.

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

    NARCIS (Netherlands)

    Chen, Qi; Vancso, Gyula J.

    2011-01-01

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

  7. Kinetics and mechanism of the gas-phase reaction of Cl atoms and OH radicals with fluorobenzene at 296 K

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Nielsen, Ole John; Hurley, MD

    2002-01-01

    with Cl atoms via a mechanism which, at least in part, leads neither to production of C6H5Cl nor to reformation of C6H5F. As the steady-state Cl atom concentration is increased, the fraction of the C6H5F-Cl adduct undergoing reaction with Cl atoms increases causing an increase in the effective rate...... radical and adduct formation to give the C6H5F-Cl adduct. At 296 K the rate constant for the abstraction channel is k(5a)(Cl+C6H5F) = (1.1 +/- 0.1) x 10(-17) cm(3) molecule(-1) s(-1). The C6H5F-Cl adduct undergoes rapid (k similar to 10(8) s(-1)) decomposition to reform C6H5F and Cl atoms and reaction......) molecule(-1) s(-1) was, established for the reaction of the C6H5F-Cl adduct with O-2. The reaction of OH radicals with C6H5F was studied and a rate constant of k(OH + C6H5F) = (7.9 +/- 2.2) x 10(-13) cm(3) molecule(-1) s(-1) was determined. The results are discussed with respect to the available literature...

  8. Principal component analysis of electron beams generated in K-shell aluminum X-pinch plasma produced by a compact LC-generator

    Science.gov (United States)

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

    2015-06-01

    Principal component analysis (PCA) method is applied and compared with the line ratios of H-like and He-like transitions, in order to investigate the effects of electron beam on the K-shell Aluminum synthetic spectra. It is also used as a diagnostics to estimate the plasma parameters of K-shell Al X-pinch plasma spectrum. This spectrum is produced by the explosion of two 25-μm Al wires on a compact LC (40 kV, 200 kA) generator. The database for the principal component extraction is created over a previously developed, non-LTE, collisional radiative K-shell Aluminum model. As a result, PCA shows an agreement with the line ratios which are sensitive to plasma electron temperatures, densities and beam fractions. Principal component analysis also illustrates that the addition to the non-LTE model of a fraction f of electrons in an energetic beam, generates the clusters in a three dimensional vector space which are translations of each other and follows reverse v-shaped cascade trajectories, except for the f = 0.0 case. Modeling of a typical shot by PCA gives the plasma electron temperature of Te = 100 eV, density of Ne = 1 × 1020 cm-3 and hot electron fraction of f = 0.2 (with a beam energy centered at 10 keV).

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

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

  10. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-02-15

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

  12. Comment on "Atomic mass compilation 2012" by B. Pfeiffer, K. Venkataramaniah, U. Czok, C. Scheidenberger

    Science.gov (United States)

    Audi, G.; Blaum, K.; Block, M.; Bollen, G.; Goriely, S.; Hardy, J. C.; Herfurth, F.; Kondev, F. G.; Kluge, H.-J.; Lunney, D.; Pearson, J. M.; Savard, G.; Sharma, K. S.; Wang, M.; Zhang, Y. H.

    2015-05-01

    In order to avoid errors and confusion that may arise from the recent publication of a paper entitled "Atomic Mass Compilation 2012", we explain the important difference between a compilation and an evaluation; the former is a necessary but insufficient condition for the latter. The simple list of averaged mass values offered by the "Atomic Mass Compilation" uses none of the numerous links and correlations present in the large body of input data that are carefully maintained within the "Atomic Mass Evaluation". As such, the mere compilation can only produce results of inferior accuracy. Illustrative examples are given.

  13. Temperature dependent kinetics (195-798 K) and H atom yields (298-498 K) from reactions of (1)CH(2) with acetylene, ethene, and propene.

    Science.gov (United States)

    Gannon, K L; Blitz, M A; Liang, C H; Pilling, M J; Seakins, P W; Glowacki, D R

    2010-09-09

    The rate coefficients for the removal of the excited state of methylene, (1)CH(2) (a(1)A(1)), by acetylene, ethene, and propene have been studied over the temperature range 195-798 K by laser flash photolysis, with (1)CH(2) being monitored by laser-induced fluorescence. The rate coefficients of all three reactions exhibit a negative temperature dependence that can be parametrized as k((1)CH(2)+C(2)H(2)) = (3.06 +/- 0.11) x 10(-10) T ((-0.39+/-0.07)) cm(3) molecule(-1) s(-1), k((1)CH(2)+C(2)H(4)) = (2.10 +/- 0.18) x 10(-10) T ((-0.84+/-0.18)) cm(3) molecule(-1) s(-1), k((1)CH(2)+C(3)H(6)) = (3.21 +/- 0.02) x 10(-10) T ((-0.13+/-0.01)) cm(3) molecule(-1) s(-1), where the errors are statistical at the 2sigma level. Removal of (1)CH(2) occurs by chemical reaction and electronic relaxation to ground state triplet methylene. The H atom yields from the reactions of (1)CH(2) with acetylene, ethene, and propene have been determined by laser-induced fluorescence over the temperature range 298-498 K. For the reaction with propene, H atom yields are close to the detection limit, but for acetylene and ethene, the fraction of H atom production is approximately 0.88 and 0.71, respectively, at 298 K, rising to unity by 398 K, with the balance of the reaction with acetylene presumed to be electronic relaxation. Experimental constraints limit studies to a maximum of 1 Torr of bath gas; master equation calculations using an approach that allows treatment of intermediates with deep energy wells have been carried out to explore the role of collisional stabilization for the reaction of (1)CH(2) with acetylene. Stabilization is calculated to be insignificant under the experimental conditions, but does become significant at higher pressures. Between pressures of 100 and 1000 Torr, propyne and allene are formed in similar amounts with a slight preference for propyne. At higher pressures propyne formation becomes about a factor two greater than that of allene, and above 10(5) Torr (300 < T

  14. Ligand effects on ESR and optical properties of gold atoms in gamma irradiated organic solid solutions at 77 K.

    Science.gov (United States)

    Hase, Yoko Miyatake; Ito, Yoshitaka; Tajima, Yusuke

    2005-10-13

    Ligand effects on ESR and optical properties of Au0 atoms produced at 77 K in gamma irradiated solid solutions of AuCl/MTHF and AuCl/EtOH with and without HCl were investigated. Four groups of ESR lines were observed at 73 K more clearly around the magnetic fields at about 250, 280, 340, and 400 mT for both gamma irradiated MTHF and EtOH solid solutions with HCl than those without HCl. The values of a and g(J) calculated by Breit-Rabi analysis showed a remarkable dependence on the solvent polarity. It was confirmed that the signals were the hyperfine quartet corresponding to the transitions between the Zeeman levels of Au0 atoms with nuclear spin of 3/2 in the ground state, 2S(1/2). It was also confirmed that Au0 atoms produced after gamma irradiation were located in the nuclear environment of isotropic interaction with surrounding ligand molecules. Delocalization of the unpaired spin density of Au0 onto ligands is found to be as large as one in the case of Cu0 atoms. Our previous hypothesis of the occurrence of configuration mixing of d valence orbital into the wave function of the atom in its 2S(1/2) was strongly supported. The dependence of the ESR, optical absorption, and the steady-state emission and excitation characteristics on solvent polarity was cleared in this study. We observed two kinds of emissions i.e., a band at 385 nm and a set of emission bands at 456, 482, 484, and 520 nm. These correspond to two bands out of the six kinds of emissions observed previously. The bands were attributed to exciplex (Au0 x Ln...Au+)* and the excited Au0 atoms trapped in a large cavity, respectively. The negative counterion of Au+ of the gold compound plays an important role for the formation of the exciplexes.

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

    Science.gov (United States)

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

    2014-05-13

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

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

    Science.gov (United States)

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

    2017-11-01

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

  17. Origin of the pre-edge structure at the Al K-edge: The role of atomic vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Cabaret, Delphine; Brouder, Christian, E-mail: Delphine.Cabaret@impmc.jussieu.f [Institut de Mineralogie et Physique des Milieux Condenses, UMR 7590 CNRS, Universite Pierre et Marie Curie, Universite Paris Diderot, IPGP, IRD, 140 rue de Lourmel, 75015 Paris (France)

    2009-11-15

    We present a detailed analysis of the pre-edge peak present in the Al K-edge XANES spectra of corundum ({alpha}-Al{sub 2}O{sub 3}) and diaspore ({alpha}-AlOOH), as measured at room temperature. This is achieved by XANES and DOS calculations performed using the density functional theory in a pseudopotential plane-wave framework. The XANES calculations carried out for the equilibrium atomic positions do not reproduce the pre-edge of corundum and partially reproduce it in the case of diaspore. It is shown that the electronic transitions occuring in the pre-edge involves the 3s empty states of the aluminium absorbing atom. The Al 3s states can be probed in the electric dipole approximation via a p-s mixing, which is possible only if the Al site is not centrosymmetric. Although Al does not occupy an inversion center in the two minerals under study, the p-s mixing is too weak to provide a pre-edge feature in good agreement with experiment. The deviation from centrosymmetry can be enhanced by the atomic vibrations. We develop a theory that takes into account the atomic vibrations directly in the calculation of the absorption cross section, based on the Born-Oppenheimer approximation. This theory is applied to corundum and diaspore and yields satisfactory results in the pre-edge region.

  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. Local atomic and magnetic structure of dilute magnetic semiconductor (Ba ,K ) (Zn,Mn ) 2As2

    Science.gov (United States)

    Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; Banerjee, Soham; Chen, Bijuan; Jin, Changqing; Feygenson, Mikhail; Uemura, Yasutomo J.; Billinge, Simon J. L.

    2016-09-01

    We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba ,K )(Zn ,Mn )2As2 through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. We detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-defined local orthorhombic structure on a short length scale of ≲5 Å , resulting in a rather asymmetrical local environment of the Mn and As ions. Finally, the magnetic PDF revealed ferromagnetic alignment of Mn spins along the crystallographic c axis, with robust nearest-neighbor ferromagnetic correlations that exist even above the ferromagnetic ordering temperature. We discuss these results in the context of other experiments and theoretical studies on this system.

  20. An annually resolved marine proxy record for the 8.2K cold event from the northern North Sea based on bivalve shells

    Science.gov (United States)

    Butler, Paul; Estrella-Martínez, Juan; Scourse, James

    2017-04-01

    The so-called 8.2K cold event is a rapid cooling of about 6° +/- 2° recorded in the Greenland ice core record and thought to be a consequence of a freshwater pulse from the Laurentide ice sheet which reduced deepwater formation in the North Atlantic. In the Greenland ice cores the event is characterized by a maximum extent of 159 years and a central event lasting for 70 years. As discussed by Thomas et al (QSR, 2007), the low resolution and dating uncertainty of much palaeoclimate data makes it difficult to determine the rates of change and causal sequence that characterise the event at different locations. We present here a bivalve shell chronology based on four shells of Arctica islandica from the northern North Sea which (within radiocarbon uncertainty) is coeval with the 8.2K event recorded in the Greenland ice cores. The years of death of each shell based on radiocarbon analysis and crossmatching are 8094, 8134, 8147, and 8208 yrs BP (where "present" = AD 1950), with an associated radiocarbon uncertainty of +/-80 yrs, and their longevities are 106, 122, 112 and 79 years respectively. The total length of the chronology is 192 years (8286 - 8094 BP +/- 80 yrs). The most noticeable feature of the chronology is an 60-year period of increasing growth which may correspond to a similar period of decreasing ice accumulation in the GRIP (central Greenland) ice core record. We tentatively suggest that this reflects increasing food supply to the benthos as summer stratification is weakened by colder seawater temperatures. Stable isotope analyses (results expected to be available when this abstract is presented), will show changes at annual and seasonal resolution, potentially giving a very detailed insight into the causal factors associated with the 8.2K event and its impact in the northern North Sea.

  1. Application of atomic force microscopy for investigation of Na(+),K(+)-ATPase signal-transducing function.

    Science.gov (United States)

    Khalisov, M M; Ankudinov, A V; Penniyaynen, V A; Dobrota, D; Krylov, Boris V

    2015-06-01

    The Young's modulus of 10-12-day-old chick embryos' sensory neurons cultivated in dissociated cell culture was measured using a PeakForce Quantitative Nanomechanical Mapping atomic force microscopy. The native cells were tested in control experiments and after application of ouabain. At low "endogenous" concentration of 10⁻¹⁰ M, ouabain tended to increase the rigidity of sensory neurons. We hypothesize that this trend resulted from activation of Na⁺,K⁺-ATPase signal-transducing function.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

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

  3. Spectroscopic Investigation of p-Shell Lambda Hypernuclei by the (e,e'K+) Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Chunhua [Hampton Univ., Hampton, VA (United States)

    2014-08-01

    Hypernuclear spectroscopy is a powerful tool to investigate Lambda-N interaction. Compared with other Lambda hypernuclei productions, electroproduction via the (e,e'K+) reaction has the advantage of exciting states deeply inside of the hypernucleus and achieving sub-MeV energy resolution. The E05-115 experiment, which was successfully performed in 2009, is the third generation hypernuclear experiment in JLab Hall C. A new splitter magnet and electron spectrometer were installed, and beam energy of 2.344 GeV was selected in this experiment. These new features gave better field uniformity, optics quality and made the tilt method more effective in improving yield-to-background ratio. The magnetic optics of the spectrometers were carefully studied with GEANT simulation, and corrections were applied to compensate for the fringe field cross talk between the compact spectrometer magnets. The non-linear least chi-squared method was used to further calibrate the spectrometer with the events from Lambda, Sigma0 and B12Lambda and uniform magnetic optics as well as precise kinematics were achieved. Several p-shell Lambda hypernuclear spectra, including B12Λ, Be10Λ, He7Λ, were obtained with high energy resolution and good accuracy. For B12Λ, eight peaks were recognized with the resolution of ~540keV (FWHM), and the ground state binding energy was obtained as 11.529 ± 0.012(stat.) ± 0.110(syst.) MeV. Be10Λ, twelve peaks were recognized with the resolution of ~520keV (FWHM), and the binding energy of the ground state was determined as 8.710 ± 0.059(stat.) ± 0.114(syst.) MeV. For He7Λ, three peaks were recognized with the resolution of ~730keV, and the ground state binding energy was obtained as 5.510 ± 0.050(stat.) ± 0.120(syst.) MeV. Compared with the published data of B12Λ from the JLab Hall A experiment

  4. Doubly-differential cross section calculations for $K$-shell vacancy production in lithium by fast O$^{8+}$ ion impact

    CERN Document Server

    Śpiewanowski, M D; Horbatsch, M; Kirchner, T

    2016-01-01

    Inner-shell vacancy production for the O$^{8+}$-Li collision system at 1.5 MeV/amu is studied theoretically. The theory combines single-electron amplitudes for each electron in the system to extract multielectron information about the collision process. Doubly-differential cross sections obtained in this way are then compared with the recent experimental data by LaForge et al. [J. Phys. B 46, 031001 (2013)] yielding good resemblance, especially for low outgoing electron energy. A careful analysis of the processes that contribute to inner-shell vacancy production shows that the improvement of the results as compared to single-active-electron calculations can be attributed to the leading role of two-electron excitation-ionization processes.

  5. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study

    Science.gov (United States)

    Parandaman, A.; Rajakumar, B.

    2017-07-01

    The rate coefficients for the reactions of hydrogen (H) atom with propylene and isobutylene were studied at M06-2X/6-31+G(d,p) and MPWB1K/6-31+G(d,p) level of theories between 200 and 2500 K. The possible mechanism for the reactions of propylene and isobutylene with H atom were examined. The rate coefficients for each reaction channels were calculated over a wide range of temperature using Conventional Transition State Theory (CTST). The quantum mechanical tunneling effect was computed using parabolic model and were included in the rate coefficient calculations. The Arrhenius expressions for the reactions, propylene + H and isobutylene + H were estimated to be kpropylene+H = (9.68 ± 0.17) × 10-18 T2.16exp[-(131 ± 10)/T] cm3 molecule-1 s-1 and kisobutylene+H = (1.40 ± 0.22) × 10-16 T1.89exp[-(215 ± 12)/T] cm3 molecule-1 s-1, respectively. Theoretically calculated rate coefficients are found to be in good agreement with the available experimentally measured rate coefficients.

  6. Lifetime Measurements of $ \\pi ^+ \\pi ^- $ and $\\pi^{+-} K^{-+}$ Atoms to Test Low-Energy QCD Predictions

    CERN Multimedia

    Iliescu, M A; Ponta, T C; Dumitriu, D E; Afanasyev, L; Zhabitskiy, M; Rykalin, V; Hons, Z; Schacher, J; Yazkov, V; Gerndt, J; Detraz, C C; Guaraldo, C; Dreossi, D; Smolik, J; Gorchakov, O; Nikitin, M; Dudarev, A; Kluson, J; Hansroul, M; Okada, K; Constantinescu, S; Kruglov, V; Komarov, V; Takeutchi, F; Tarta, P D; Kuptsov, A; Nemenov, L; Karpukhin, V; Shliapnikov, P; Brekhovskikh, V; Saborido silva, J J; Drijard, D; Rappazzo, G F; Pentia, M C; Gugiu, M M; Kruglova, L; Pustylnik, Z; Trojek, T; Vrba, T; Duma, M; Ciocarlan, C; Kulikov, A; Ol'shevskiy, V; Ryazantsev, A; Chiba, M; Anania, A; Tarasov, A; Gritsay, K; Lapchine, V; Cechak, T; Lopez aguera, A

    2002-01-01

    %PS212 \\\\ \\\\ The proposed experiment aims to measure the lifetime of $ \\pi ^+ \\pi ^- $ atoms in the ground state with 10\\% precision, using the 24~GeV/c proton beam of the CERN Proton Synchrotron. As the value of the above lifetime of order 10$ ^- ^{1} ^{5} $s is dictated by a strong interaction at low energy, the precise measurement of this quantity enables to determine a combination of S-wave pion scattering lengths to 5\\%. Pion scattering lengths have been calculated in the framework of chiral perturbation theory and values predicted at the same level of accuracy have, up to now, never been confronted with accurate experimental data. Such a measurement would submit the understanding of chiral symmetry breaking of QCD to a crucial test.

  7. Rotationally inelastic collisions of excited NaK and NaCs molecules with noble gas and alkali atom perturbers

    Science.gov (United States)

    Jones, J.; Richter, K.; Price, T. J.; Ross, A. J.; Crozet, P.; Faust, C.; Malenda, R. F.; Carlus, S.; Hickman, A. P.; Huennekens, J.

    2017-10-01

    We report measurements of rate coefficients at T ≈ 600 K for rotationally inelastic collisions of NaK molecules in the 2(A)1Σ+ electronic state with helium, argon, and potassium atom perturbers. Several initial rotational levels J between 14 and 44 were investigated. Collisions involving molecules in low-lying vibrational levels (v = 0, 1, and 2) of the 2(A)1Σ+ state were studied using Fourier-transform spectroscopy. Collisions involving molecules in a higher vibrational level, v = 16, were studied using pump/probe, optical-optical double resonance spectroscopy. In addition, polarization spectroscopy measurements were carried out to study the transfer of orientation in these collisions. Many, but not all, of the measurements were carried out in the "single-collision regime" where more than one collision is unlikely to occur within the lifetime of the excited molecule. The analysis of the experimental data, which is described in detail, includes an estimate of effects of multiple collisions on the reported rate coefficients. The most significant result of these experiments is the observation of a strong propensity for ΔJ = even transitions in collisions involving either helium or argon atoms; the propensity is much stronger for helium than for argon. For the initial rotational levels studied experimentally, almost all initial orientation is preserved in collisions of NaK 2(A)1Σ+ molecules with helium. Roughly between 1/3 and 2/3 of the orientation is preserved in collisions with argon, and almost all orientation is destroyed in collisions with potassium atoms. Complementary measurements on rotationally inelastic collisions of NaCs 2(A)1Σ+ with argon do not show a ΔJ = even propensity. The experimental results are compared with new theoretical calculations of collisions of NaK 2(A)1Σ+ with helium and argon. The calculations are in good agreement with the absolute magnitudes of the experimentally determined rate coefficients and accurately reproduce the very

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

    Science.gov (United States)

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

    2016-07-01

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

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

    Science.gov (United States)

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

    2016-07-01

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

  10. The estimation of production rates of $π^+ K^−, π^− K^+$ and $π^+π^−$ atoms in proton-nucleus interactions at 24 and 450 GeV/c

    CERN Document Server

    Gorchakov, O

    2016-01-01

    Short-lived ( τ ∼ 3 × 10 − 15 s ) π + K − , K + π − and π + π − atoms as well as long-lived ( τ ≥ 1 × 10 − 11 s) π + π − atoms produced in proton-nucleus interactions at 24 GeV/c are observed and studied in the DIRAC experiment at the CERN P S. The purpose of this paper is to show that the yields of the short-lived π + K − , K + π − and π + π − atoms in proton-nucleus interactions at 450 GeV/c and θ lab = 4 ◦ are estimated to be, respectively, 17, 38 and 16 times higher. This may allow sign ificantly improving the precision of their lifetime measurement and ππ and πK scattering length combinations | a 0 − a 2 | and | a 1 / 2 − a 3 / 2 | . The yields of the long-lived π + K − , K + π − and π + π − atoms at 450 GeV/c are estimated to be 180,800 and 370 times higher p er time unit than at 24 GeV/c. This may allow the resonance method to be used for measuring the Lamb shift in the ππ atom and a new ππ scattering length combination 2a0 + a2 to be obtaine...

  11. Influence of Plasma Environment on K-Line Emission in Highly Ionized Iron Atoms Evaluated Using a Debye-Huckel Model

    Science.gov (United States)

    Deprince, J.; Fritzsche, S.; Kallman, T. R.; Palmeri, P.; Quinet, P.

    2017-01-01

    The influence of plasma environment on the atomic parameters associated with the K-vacancy states has been investigated theoretically for several iron ions. To do this, a time-averaged Debye-Huckel potential for both the electron-nucleus and electron-electron interactions has been considered in the framework of relativistic multiconfiguration Dirac-Fock computations. More particularly, the plasma screening effects on ionization potentials, K-thresholds, transition energies, and radiative rates have been estimated in the astrophysical context of accretion disks around black holes. In the present paper, we describe the behavior of those atomic parameters for Ne-, Na-, Ar-, and K-like iron ions.

  12. A Review on Resistive Switching in High-k Dielectrics: A Nanoscale Point of View Using Conductive Atomic Force Microscope

    Directory of Open Access Journals (Sweden)

    Mario Lanza

    2014-03-01

    Full Text Available Metal-Insulator-Metal (MIM structures have raised as the most promising configuration for next generation information storage, leading to great performance and fabrication-friendly Resistive Random Access Memories (RRAM. In these cells, the memory concept is no more based on the charge storage, but on tuning the electrical resistance of the insulating layer by applying electrical stresses to reach a high resistive state (HRS or “0” and a low resistive state (LRS or “1”, which makes the memory point. Some high-k dielectrics show this unusual property and in the last years high-k based RRAM have been extensively analyzed, especially at the device level. However, as resistance switching (in the most promising cells is a local phenomenon that takes place in areas of ~100 nm2, the use of characterization tools with high lateral spatial resolution is necessary. In this paper the status of resistive switching in high-k materials is reviewed from a nanoscale point of view by means of conductive atomic force microscope analyses.

  13. Integration of atomic layer deposited high-k dielectrics on GaSb via hydrogen plasma exposure

    Directory of Open Access Journals (Sweden)

    Laura B. Ruppalt

    2014-12-01

    Full Text Available In this letter we report the efficacy of a hydrogen plasma pretreatment for integrating atomic layer deposited (ALD high-k dielectric stacks with device-quality p-type GaSb(001 epitaxial layers. Molecular beam eptiaxy-grown GaSb surfaces were subjected to a 30 minute H2/Ar plasma treatment and subsequently removed to air. High-k HfO2 and Al2O3/HfO2 bilayer insulating films were then deposited via ALD and samples were processed into standard metal-oxide-semiconductor (MOS capacitors. The quality of the semiconductor/dielectric interface was probed by current-voltage and variable-frequency admittance measurements. Measurement results indicate that the H2-plamsa pretreatment leads to a low density of interface states nearly independent of the deposited dielectric material, suggesting that pre-deposition H2-plasma exposure, coupled with ALD of high-k dielectrics, may provide an effective means for achieving high-quality GaSb MOS structures for advanced Sb-based digital and analog electronics.

  14. Interface characterization of atomic layer deposited high-k on non-polar GaN

    Science.gov (United States)

    Jia, Ye; Zeng, Ke; Singisetti, Uttam

    2017-10-01

    The interface properties between dielectrics and semiconductors are crucial for electronic devices. In this work, we report the electrical characterization of the interface properties between atomic layer deposited Al2O3 and HfO2 on non-polar a-plane ( 11 2 ¯ 0 ) and m-plane ( 1 1 ¯ 00 ) GaN grown by hybrid vapor phase epitaxy. A metal oxide semiconductor capacitor (MOSCAP) structure was used to evaluate the interface properties. The impact of annealing on the interface properties was also investigated. The border trap in the oxide, characterized by the capacitance-voltage (C-V) hysteresis loop, was low. The interface state density (Dit), extracted using the ac conductance method, is in the range of 0.5 × 1012/cm2 eV to 7.5 × 1011/cm2 eV within an energy range from 0.2 eV to 0.5 eV below the conduction band minimum. The m-plane GaN MOSCAPs exhibited better interface properties than the a-plane GaN MOSCAPs after annealing. Without annealing, Al2O3 dielectrics had higher border trap density and interface state density compared to HfO2 dielectrics. However, the annealing had different impacts on Al2O3 dielectrics as compared to HfO2. Our results showed that the annealing degraded the quality of the interface in HfO2, but it improved the quality of the interface in Al2O3 devices. The annealing also reduced the positive trapped oxide charge, resulting in a shift of C-V curves towards the positive bias region.

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

    KAUST Repository

    Wang, Ruiqi

    2016-03-04

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

  16. The estimation of production rates of $\\pi^+K^-, \\pi^-K^+$ and $\\pi^+\\pi^-$ atoms in proton-Ni interactions at proton momentum of 450 GeV/c

    CERN Document Server

    Gorchakov, O

    2015-01-01

    In the DIRAC experiment at CERN the π+ K− , K+ π− and π+ π− atoms generated in proton-nucleus interaction at proton momentum Pp = 24 GeV/c were investigated. This work shows that the yields of π+ K− , K+ π− and π+ π− atoms in the p-nucleus interactions at Pp = 450 GeV/c and θ lab = 4◦ are 17, 38 and 16 times more than the one in the DIRAC experiment. The increased yields of the short-lived ππ ( πK ) atoms with minimum lifetime τ th = 2.9 . 10 − 15 s ( τ th = 3.5 . 10 − 15 s ) allows to improve the precisions of their lifetime measurement and ππ ( πK ) scattering length combinations | a 0 − a 2 | ( | a 1 / 2 − a 3/2 | ). In the DIRAC experiment the long-lived ππ atoms( τ th ≥ 1.2 . 10 − 11 s) were observed also. It was detected n A = 436 ± 61 π + π − pairs(atomic pairs) originating in the breakup of long-lived ππ atoms in the Pt foil with probability more than 90%. After the change of experiment scheme the number of produced long-lived π+ π− , π+ K− a...

  17. Are Hadrons Shell-Structured?

    CERN Document Server

    Palazzi, Paolo

    2007-01-01

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

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

    Science.gov (United States)

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

    2017-09-01

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

  19. Evaluation of Toxicological Effects of an Aqueous Extract of Shells from the Pecan Nut Carya illinoinensis (Wangenh.) K. Koch and the Possible Association with Its Inorganic Constituents and Major Phenolic Compounds.

    Science.gov (United States)

    Porto, Luiz Carlos S; da Silva, Juliana; Sousa, Karen; Ambrozio, Mariana L; de Almeida, Aline; Dos Santos, Carla Eliete I; Dias, Johnny F; Allgayer, Mariangela C; Dos Santos, Marcela S; Pereira, Patrícia; Ferraz, Alexandre B F; Picada, Jaqueline N

    2016-01-01

    Background. Industrial processing of the pecan nut Carya illinoinensis K. Koch generated a large amount of shells, which have been used to prepare nutritional supplements and medicinal products; however, the safe use of shells requires assessment. This study evaluated the toxic, genotoxic, and mutagenic effects of pecan shell aqueous extract (PSAE) and the possible contribution of phenolic compounds, ellagic and gallic acids, and inorganic elements present in PSAE to induce toxicity. Results. Levels of inorganic elements like K, P, Cl, and Rb quantified using the Particle-Induced X-Ray Emission method were higher in PSAE than in pecan shells, while Mg and Mn levels were higher in shells. Mice showed neurobehavioral toxicity when given high PSAE doses (200-2,000 mg kg(-1)). The LD50 was 1,166.3 mg kg(-1). However, PSAE (50-200 mg·kg(-1)) and the phenolic compounds (10-100 mg·kg(-1)) did not induce DNA damage or mutagenicity evaluated using the comet assay and micronucleus test. Treatment with ellagic acid (10-100 mg·kg(-1)) decreased triglyceride and glucose levels, while treatments with PSAE and gallic acid had no effect. Conclusion. Pecan shell toxicity might be associated with high concentrations of inorganic elements such as Mn, Al, Cu, and Fe acting on the central nervous system, besides phytochemical components, suggesting that the definition of the safe dose should take into account the consumption of micronutrients.

  20. K-shell core-electron binding energies for phosphorus- and sulfur-containing molecules calculated by density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Segala, Maximiliano, E-mail: max-segala@uergs.edu.b [Universidade Estadual do Rio Grande do Sul, Rua Oscar Matzembacher 475, 96760-000 Tapes, RS (Brazil); Chong, Delano P. [Department of Chemistry, 2036 Main Mall, University of British Columbia, Vancouver, B.C., V6T 1Z1 (Canada)

    2010-12-15

    Research highlights: {yields} CEBEs(P1s) with AAD = 0.20 eV. {yields} CEBEs(S1s) with AAD = 0.22 eV. {yields} AAD changes slightly with the apparent orbital hybridization of the atom. {yields} Allometric approximation performs well for the CEBEs(1s) for P and S. -- Abstract: In this paper, 1s ionization energies for P- and S-containing molecules were calculated using energy-difference method by DFT. Using observed core-electron binding energies (CEBEs) as reference, we found that the Becke00x(xc) exchange-correlation functional (E{sub xc}) is the best choice for CEBEs(P1s), with an average absolute deviation (AAD) of 0.20 eV, and that the best choice for CEBEs(S1s) is E{sub xc} = BmTau1, with an average absolute deviation (AAD) of 0.22 eV. However, the best single functional for calculation of both P and S is E{sub xc} = VS98, resulting in the weighted AAD of 0.43 eV. Our results are also showing that the quality of AAD changes slightly with the apparent orbital hybridization of the atom.

  1. K-shell Photoionization of Na-like to Cl-like Ions of Mg, Si, S, Ar, and Ca

    Science.gov (United States)

    Witthoeft, M. C.; Garcia, J.; Kallman, T. R.; Bautista, M. A.; Mendoza, C.; Palmeri, P.; Quinet, P.

    2010-01-01

    We present R-matrix calculations of photoabsorption and photoionization cross sections across the K edge of Mg, Si, S, Ar, and Ca ions with more than 10 electrons. The calculations include the effects of radiative and Auger damping by means of an optical potential. The wave functions are constructed from single-electron. orbital bases obtained using a Thomas-Fermi-Dirac statistical model potential. Configuration interaction is considered among all states up to n = 3. The damping processes affect the resonances converging to the K-thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the photoionization threshold. These data are important for the modeling of features found in photoionized plasmas.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-01-01

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

  3. Kinetics of the reaction of F atoms with O2 and UV spectrum of FO2 radicals in the gas phase at 295 K

    DEFF Research Database (Denmark)

    Ellermann, T.; Sehested, J.; Nielsen, O.J.

    1994-01-01

    The ultraviolet absorption spectrum of FO2 radicals and the kinetics of the reaction of F atoms with O2 have been studied in the gas phase at 295 K using pulse radiolysis combined with kinetic UV spectroscopy. At 230 nm, sigma(FO2) = (5.08 +/- 0.70) X 10(-18) cm2 molecule-1. The kinetics...

  4. An investigation into the effect of spray drying temperature and atomizing conditions on miscibility, physical stability, and performance of naproxen-PVP K 25 solid dispersions.

    Science.gov (United States)

    Paudel, Amrit; Loyson, Yves; Van den Mooter, Guy

    2013-04-01

    The present study investigates the effect of changing spray drying temperature (40°C-120°C) and/or atomizing airflow rate (AR; 5-15 L/min) on the phase structure, physical stability, and performance of spray-dried naproxen-polyvinylpyrrolidone (PVP) K 25 amorphous solid dispersions. The modulated differential scanning calorimetry, attenuated total internal reflectance-Fourier transform infrared, and powder X-ray diffractometry (pXRD) studies revealed that higher inlet temperature (IT) or atomization airflow leads to the formation of amorphous-phase-separated dispersions with higher strongly H-bonded and free PVP fractions, whereas that prepared with the lowest IT was more homogeneous. The dispersion prepared with the lowest atomization AR showed trace crystallinity. Upon exposure to 75% relative humidity (RH) for 3 weeks, the phase-separated dispersions generated by spray drying at higher temperature or higher atomization airflow retained relatively higher amorphous drug fraction compared with those prepared at slow evaporation conditions. The humidity-controlled pXRD analysis at 98% RH showed that the dispersion prepared with highest atomization AR displayed the slowest kinetics of recrystallization. The molecular-level changes occurring during recrystallization at 98% RH was elucidated by spectroscopic monitoring at the same humidity. The rate and extent of the drug dissolution was the highest for dispersions prepared at the highest atomizing AR and the lowest for that prepared with the slowest atomizing condition. Copyright © 2013 Wiley Periodicals, Inc.

  5. Anisotropy of x-ray reflectivity: chemical and structural effects on K-shell excitations in hexagonal BN crystal

    CERN Document Server

    Filatova, E O

    2002-01-01

    The experimental investigation of the B and N K-reflection spectra using both s-polarized synchrotron radiation and unpolarized radiation for different crystal orientations with respect to the electric field vector E was carried out. The absorption spectra calculated from the reflection spectra using Kramers-Kronig analysis are presented. A strong orientation dependence of both reflection and absorption spectra is exhibited. Analysis of the orientation dependences of the x-ray reflection and absorption spectra near both edges strongly supports a possibility of tracing the role of each excitation canal in the formation of fine structure. The high sensitivity of the reflection spectra fine structure to the vibronic interaction connected with Jahn-Teller distortions as well to the core-hole relaxation is discussed. A very strong dependence of the absolute values of the reflectivity on planar crystal anisotropy was discovered.

  6. CO2 adsorption at nitrogen-doped carbons prepared by K2CO3 activation of urea-modified coconut shell.

    Science.gov (United States)

    Yue, Limin; Xia, Qiongzhang; Wang, Liwei; Wang, Linlin; DaCosta, Herbert; Yang, Jie; Hu, Xin

    2018-02-01

    This article reports on the synthesis and characterization of porous nitrogen-doped carbons synthesized by carbonization of coconut shell followed by urea modification and K2CO3 activation. The as-synthesized samples were carefully characterized by various techniques. This series of samples demonstrate high CO2 uptake at 1bar, up to 3.71mmol/g at 25°C in addition to 5.12mmol/g at 0°C. Furthermore, these sorbents possess fast CO2 adsorption kinetics, stable reusability, moderate heat of CO2 adsorption, reasonable CO2/N2 selectivity, and high dynamic CO2 capture capacity under simulated flue gas conditions. It is found that, in addition to nitrogen content and narrow micropore volume, the pore size distribution of narrow micropore also plays a major role in determining the CO2 capture capacity under ambient condition. This work is intended to provide useful information and to inspire ways to develop new carbonaceous sorbents for removing CO2 from combustion flue gas. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. Scaling of cross sections for K-electron capture by high-energy protons and alpha-particles from the multielectron atoms

    Science.gov (United States)

    Omidvar, K.

    1979-01-01

    Electron capture by protons from H, He, and the K shell of Ar, and electron capture by alpha particles from He are considered. Using the experimental data, a function of the capture cross section is formed. It is shown that when this function is plotted versus the inverse of the collision energies, at high energies a straight line is obtained. At lower energies the line is concave up or down, depending on the charge of the projectile and/or the effective charge and the ionization potential of the electron that is being captured. The plot can be used to predict cross sections where experimental data are not available, and as a guide in future experiments. High-energy scaling formulas for K-electron capture by low-charge projectiles are given.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-01-15

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

  9. Stereo and scanning electron microscopy of in-shell Brazil nut (Bertholletia excelsa H.B.K.): part two-surface sound nut fungi spoilage susceptibility.

    Science.gov (United States)

    Scussel, Vildes M; Manfio, Daniel; Savi, Geovana D; Moecke, Elisa H S

    2014-11-01

    This work reports the in-shell Brazil nut spoilage susceptible morpho-histological characteristics and fungi infection (shell, edible part, and brown skin) through stereo and scanning electron microscopies (SEM). The following characteristics related to shell (a) morphology-that allow fungi and insects' entrance to inner nut, and (b) histology-that allow humidity absorption, improving environment conditions for living organisms development, were identified. (a.1) locule in testae-the nut navel, which is a cavity formed during nut detaching from pods (located at 1.0 to 2.0/4th of the shell B&C nut faces linkage). It allows the nut brown skin (between shell and edible part) first contact to the external environment, through the (a.2) nut channel-the locule prolongation path, which has the water/nutrients cambium function for their transport and distribution to the inner seed (while still on the tree/pod). Both, locule followed by the channel, are the main natural entrance of living organisms (fungi and insects), including moisture to the inner seed structures. In addition, the (a.3) nut shell surface-which has a crinkled and uneven surface morphology-allows water absorption, thus adding to the deterioration processes too. The main shell histological characteristic, which also allows water absorption (thus improving environment conditions for fungi proliferation), is the (b.1) cell wall porosity-the multilayered wall and porous rich cells that compose the shell faces double tissue layers and the (b.2) soft tissue-the mix of tissues 2 faces corner/linkage. This work also shows in details the SEM nut spoilage susceptible features highly fungi infected with hyphae and reproductive structures distribution. © 2014 Institute of Food Technologists®

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

    Science.gov (United States)

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

    2017-12-01

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

  11. K-shell photoabsorption and photoionization of trace elements. II. Isoelectronic sequences with electron number 12 ≤N ≤ 18

    Science.gov (United States)

    Mendoza, C.; Bautista, M. A.; Palmeri, P.; Quinet, P.; Witthoeft, M. C.; Kallman, T. R.

    2017-08-01

    Context. We are concerned with improving the diagnostic potential of the K lines and edges of elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu, and Zn, that are observed in the X-ray spectra of supernova remnants, galaxy clusters, and accreting black holes and neutron stars. Aims: Since accurate photoabsorption and photoionization cross sections are needed in their spectral models, they have been computed for isoelectronic sequences with electron number 12 ≤ N ≤ 18 using a multi-channel method. Methods: Target representations are obtained with the atomic structure code autostructure, and ground-state cross sections are computed with the Breit-Pauli R-matrix method (bprm) in intermediate coupling, including damping (radiative and Auger) effects. Results: Following the findings in our earlier work on sequences with 2 ≤ N ≤ 11, the contributions from channels associated with the 2s-hole [2s] μ target configurations and those containing 3d orbitals are studied in the Mg (N = 12) and Ar (N = 18) isoelectronic sequences. Cross sections for the latter ions are also calculated in the isolated-resonance approximation as implemented in autostructure and compared with bprm to test their accuracy. Conclusions: It is confirmed that the collisional channels associated with the [2s] μ target configurations must be taken into account owing to significant increases in the monotonic background cross section between the L and K edges. Target configurations with 3d orbitals give rise to fairly conspicuous unresolved transition arrays in the L-edge region, but to a much lesser extent in the K-edge that is our main concern; therefore, they have been neglected throughout owing to their computationally intractable channel inventory, thus allowing the computation of cross sections for all the ions with 12 ≤ N ≤ 18 in intermediate coupling with bprm. We find that the isolated-resonance approximations performs satisfactorily and will be our

  12. Kinetics and mechanism of the reaction of methacrolein with chlorine atoms in 1-950 Torr of N2 or N2/O2 diluent at 297 K.

    Science.gov (United States)

    Kaiser, E W; Pala, I R; Wallington, T J

    2010-07-01

    The rate constant of the reaction of Cl atoms with methacrolein (k(1)) has been measured relative to that of Cl with propane (k(2)) or cyclohexane (k(6)) at ambient temperature and pressures varying from 1-950 Torr. The experiments were carried out by irradiation (350 nm) of Cl(2)/methacrolein/propane or cyclohexane mixtures in N(2) or N(2)/O(2) diluent at ambient temperature in a spherical (500 cm(3)) Pyrex reactor (GC/FID analyses) or a 140 L FTIR smog chamber. The measured relative rate constant ratios in the GC/FID experiments were k(1)/k(2) = 1.464 +/- 0.015(2sigma) in N(2) and k(1)/k(2) = 1.68 +/- 0.03(2sigma) in N(2)/O(2) diluent (O(2) > 20,000 ppm). No pressure dependence was observed over the range studied in N(2) (120-950 Torr) using the GC/FID. In the FTIR/smog chamber experiments values of k(1)/k(6) = 0.645 +/- 0.032, 0.626 +/- 0.037, 0.586 +/- 0.026, and 0.479 +/- 0.024 were measured in 700, 100, 10, and 1 Torr, respectively, of N(2) diluent. Using k(2) = (1.4 +/- 0.2) x 10(-10) and k(6) = (3.3 +/- 0.5) x 10(-10) high pressure limiting rate constants of k(1) = (2.05 +/- 0.3) x 10(-10) [GC/FID] and (2.13 +/- 0.34) x 10(-10) [FTIR] cm(3) molecule(-1) s(-1) were determined. In experiments using the GC/FID reactor with N(2) diluent the following products (molar yields) were observed: 2,3-dichloro-2-methylpropanal [(47.2 +/- 8)% excluding error in calibration]; methacryloyl chloride [(22.9 +/- 2)%]; and 2-chloromethylacrolein [(2.3 +/- 0.8)%]. Addition of 200 ppm O(2) (with Cl(2) = 5000 ppm) resulted in a sharp reduction of the 2,3-dichloro-2-methylpropanal yield (to approximately 2%) with an accompanying appearance of chloroacetone [yield = (55 +/- 7)% decreasing to (44 +/- 7)% in air diluent]. The methacryloyl chloride yield was 23% for [O(2)]/[Cl(2)] ratios from 0 to 0.2 but decreased to near zero as the O(2)/Cl(2) ratio was increased to approximately 400. The variation in methacryloyl chloride yield with the O(2)/Cl(2) ratio in the initial mixture

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-10-01

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

  14. Production rates for $\\pi^+K^-, \\pi^-K^+$ and $\\pi^+\\pi^-$ atoms in $p$-Ni interactions at proton momentum 24 and 450 GeV/c

    CERN Document Server

    Gorchakov, O

    2015-01-01

    The results of performed analysis show that the yield of π+ K− , K+ π− and π+ π− atoms in the p-nucleus interactions increases significantly at change of proton momentum Pp from 24 up to 450 GeV/c. The yield of these dimesoatoms at Pp = 450 GeV/c and θ lab = 4◦ is more than on the order of magnitude more than the one at DIRAC experiment conditions: Pp = 24 GeV/c and θ lab = 5.7◦ . The large yield of dimesoatoms allows to improve their lifetime measuremen t and to investigate long-lived π+ π− atoms significantly.

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

    Science.gov (United States)

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

    2018-01-17

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

  16. STEM imaging of 47-pm-separated atomic columns by a spherical aberration-corrected electron microscope with a 300-kV cold field emission gun.

    Science.gov (United States)

    Sawada, Hidetaka; Tanishiro, Yasumasa; Ohashi, Nobuhiro; Tomita, Takeshi; Hosokawa, Fumio; Kaneyama, Toshikatsu; Kondo, Yukihito; Takayanagi, Kunio

    2009-12-01

    A spherical aberration-corrected electron microscope has been developed recently, which is equipped with a 300-kV cold field emission gun and an objective lens of a small chromatic aberration coefficient. A dumbbell image of 47 pm spacing, corresponding to a pair of atomic columns of germanium aligned along the [114] direction, is resolved in high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) with a 0.4-eV energy spread of the electron beam. The observed image was compared with a simulated image obtained by dynamical calculation.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-05-01

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

  18. Dependence of the four-atom reaction HBr + OH → Br + H2O on temperatures between 20 and 2000 K.

    Science.gov (United States)

    Ree, J; Kim, Y H; Shin, H K

    2015-04-02

    A quasiclassical trajectory method is used to study the temperature dependence of HBr + OH → Br + H2O using analytic forms of two-, three-, and four-body and long-range interaction potentials. Below 300 K, the reaction is attraction-driven and occurs through formation of a collision complex BrH···OH, which is sufficiently long-lived to enhance H atom tunneling. Strong negative temperature dependence of the complex-mode rate is found between 20 and 300 K, consistent with experimental data reported by various authors. Above 300 K, the reaction occurs primarily through a direct-reaction mechanism. The sum of the complex- and direct-mode rates is shown to describe the reaction over the wide range 20-2000 K. The primary kinetic isotope effect is nearly constant with the normal H reaction faster by a factor of ∼1.7 over the entire temperature range. The product energy distribution in vibration, rotation, and translation at 300 K is found to be 48, 8, and 44%, respectively. The 1:1 resonance leads to efficient flow of energy between the stretching modes. Less than a quarter of the H2O vibrational energy deposits in the bending mode through intramolecular flow from the two stretching modes.

  19. 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.

  20. Products and mechanism of the reaction of chlorine atoms with 3-pentanone in 700-950 torr of N(2)/O(2) diluent at 297-515 K.

    Science.gov (United States)

    Kaiser, E W; Wallington, T J; Hurley, M D

    2010-01-14

    The products, kinetics, and mechanism of the reaction Cl + 3-pentanone have been measured by UV irradiation of Cl(2)/3-pentanone/N(2) (O(2)) mixtures using primarily GC analysis with selected cross checks by FTIR. In the absence of O(2), the products are 1- and 2-chloro-3-pentanone with yields of 21 and 78%, respectively. As the temperature is increased, the yield of 1-chloro-3-pentanone increases modestly relative to the 2-chloro-3-pentanone yield. On the basis of this increase, the activation energy for hydrogen abstraction at the 1 position is determined to be 500 (+/-500) cal mole(-1) relative to abstraction at the 2 position. In the presence of 500 ppm of O(2) with 900-1000 ppm of Cl(2) at 297 K, the yield of 2-chloro-3-pentanone decreases dramatically from 78 to 2.5%, while the 1-chloro-3-pentanone decreases only modestly from 21 to 17%. The observed oxygenated species are acetaldehyde (59%), 2,3-pentanedione (9%), and propionyl chloride (56%). Increasing the temperature to 420 K (O(2) = 500 ppm) suppresses these oxygenated products, and 2-chloro-3-pentanone again becomes the primary product, indicating that the O(2) addition reaction to the 2-pentanonyl radical has become reversible. At 500 K and 10 000 ppm O(2), a new product channel opens which forms a small yield ( approximately 4%) of ethylvinylketone. Computer modeling of the product yields has been performed to gain an understanding of the overall reaction mechanism in the presence and absence of O(2). The reaction of chlorine atoms with 3-pentanone proceeds with a rate constant of 8.1 (+/-0.8) x 10(-11) cm(3) molecule(-1) s(-1) independent of temperature over the range of 297-490 K (E(a) = 0 +/- 200 cal mole(-1)). Rate constant ratios of k(C(2)H(5)C(O)CHCH(3) + Cl(2))/k(C(2)H(5)C(O)CHCH(3) + O(2)) = 0.0185 +/- 0.0037 and k(C(2)H(5)C(O)CH(2)CH(2) + Cl(2))/k(C(2)H(5)CH(2)C(O)CH(2)CH(2) + O(2)) = 2.7 +/- 0.4 were determined at 297 K in 800-950 Torr of N(2)/O(2) diluent. In 800-950 Torr of N(2)/O(2

  1. Free Ion Formation in K(np) Rydberg Atom Collisions at Low-to-Intermediate n: Velocity Dependence of Product Ion Properties.

    Science.gov (United States)

    Parthasarathy, R.; Suess, L.; Liu, Y.; Dunning, F. B.

    2003-05-01

    Post-attachment interactions between the product ion pair formed through electron transfer in collisions between Rydberg atoms and attaching molecules become important at low-to-intermediate n. These effects are investigated by controlling the collision energy through use of velocity selected K(np) Rydberg atoms and by measuring the lifetime of the product ions using a Penning ion trap. In the case of SF_6, where electron transfer leads to production of a valence-bound parent anion, analysis of the data points to significant internal-to-translational energy transfer in post-attachment interactions. This results in an n- and velocity-dependent increase of the fraction of product ion pairs that is able to separate and stabilizes the product ions against autodetachment. In contrast, no similar effects are observed following K(np)/CH_3CN collisions, which lead to the formation of dipole-bound parent anions. The reasons for this marked difference in behavior, which provides a new signature for the creation of dipole-bound anions, will be discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-01-01

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

  3. Effect of the tip state during qPlus noncontact atomic force microscopy of Si(100) at 5 K: Probing the probe.

    Science.gov (United States)

    Sweetman, Adam; Jarvis, Sam; Danza, Rosanna; Moriarty, Philip

    2012-01-01

    Noncontact atomic force microscopy (NC-AFM) now regularly produces atomic-resolution images on a wide range of surfaces, and has demonstrated the capability for atomic manipulation solely using chemical forces. Nonetheless, the role of the tip apex in both imaging and manipulation remains poorly understood and is an active area of research both experimentally and theoretically. Recent work employing specially functionalised tips has provided additional impetus to elucidating the role of the tip apex in the observed contrast. We present an analysis of the influence of the tip apex during imaging of the Si(100) substrate in ultra-high vacuum (UHV) at 5 K using a qPlus sensor for noncontact atomic force microscopy (NC-AFM). Data demonstrating stable imaging with a range of tip apexes, each with a characteristic imaging signature, have been acquired. By imaging at close to zero applied bias we eliminate the influence of tunnel current on the force between tip and surface, and also the tunnel-current-induced excitation of silicon dimers, which is a key issue in scanning probe studies of Si(100). A wide range of novel imaging mechanisms are demonstrated on the Si(100) surface, which can only be explained by variations in the precise structural configuration at the apex of the tip. Such images provide a valuable resource for theoreticians working on the development of realistic tip structures for NC-AFM simulations. Force spectroscopy measurements show that the tip termination critically affects both the short-range force and dissipated energy.

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

    Science.gov (United States)

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

    2015-10-01

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

  5. 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.

  6. Shell supports

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2004-01-01

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

  7. DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion Interactions.

    Science.gov (United States)

    Blaško, Martin; Mach, Pavel; Antušek, Andrej; Urban, Miroslav

    2018-02-08

    Using DFT modeling, we analyze the concerted action of gold atoms and dispersion interactions in cross-linked polyethylene. Our model consists of two oligomer chains (PEn) with 7, 11, 15, 19, or 23 carbon atoms in each oligomer cross-linked with one to three Au atoms through C-Au-C bonds. In structures with a single gold atom the C-Au-C bond is located in the central position of the oligomer. Binding energies (BEs) with respect to two oligomer radical fragments and Au are as high as 362-489 kJ/mol depending on the length of the oligomer chain. When the dispersion contribution in PEn-Au-PEn oligomers is omitted, BE is almost independent of the number of carbon atoms, lying between 293 and 296 kJ/mol. The dispersion energy contributions to BEs in PEn-Au-PEn rise nearly linearly with the number of carbon atoms in the PEn chain. The carbon-carbon distance in the C-Au-C moiety is around 4.1 Å, similar to the bond distance between saturated closed shell chains in the polyethylene crystal. BEs of pure saturated closed shell PEn-PEn oligomers are 51-187 kJ/mol. Both Au atoms and dispersion interactions contribute considerably to the creation of nearly parallel chains of oligomers with reasonably high binding energies.

  8. Role of ICAM-1 polymorphisms (G241R, K469E) in mediating its single-molecule binding ability: atomic force microscopy measurements on living cells.

    Science.gov (United States)

    Bai, Rui; Yi, Shaoqiong; Zhang, Xuejie; Liu, Huiliang; Fang, Xiaohong

    2014-06-13

    Atherosclerosis (As) is characterized by chronic inflammation and is a major cause of human mortality. ICAM-1-mediated adhesion of leukocytes in vessel walls plays an important role in the pathogenesis of atherosclerosis. Two single nucleotide polymorphisms (SNPs) of human intercellular adhesion molecule-1 (ICAM-1), G241R and K469E, are associated with a number of inflammatory diseases. SNP induced changes in ICAM-1 function rely not only on the expression level but also on the single-molecule binding ability which may be affected by single molecule conformation variations such as protein splicing and folding. Previous studies have shown associations between G241R/K469E polymorphisms and ICAM-1 gene expression. Nevertheless, few studies have been done that focus on the single-molecule forces of the above SNPs and their ligands. In the current study, we evaluated both single molecule binding ability and expression level of 4 ICAM-1 mutations - GK (G241/K469), GE (G241/E469), RK (R241/K469) and RE (R241/E469). No difference in adhesion ability was observed via cell adhesion assay or atomic force microscopy (AFM) measurement when comparing the GK, GE, RK, or RE genotypes of ICAM-1 to each other. On the other hand, flow cytometry suggested that there was significantly higher expression of GE genotype of ICAM-1 on transfected CHO cells. Thus, we concluded that genetic susceptibility to diseases related to ICAM-1 polymorphisms, G241R or K469E, might be due to the different expressions of ICAM-1 variants rather than to the single-molecule binding ability of ICAM-1. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. Role of ICAM-1 polymorphisms (G241R, K469E) in mediating its single-molecule binding ability: Atomic force microscopy measurements on living cells

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Rui [Chinese (301) General Hospital, 28 Fuxing Road, Haidian District, Beijing 100853 (China); Yi, Shaoqiong [Beijing Institute of Biotechnology, 20 Dongdajie, Fengtai, Beijing 100071 (China); Zhang, Xuejie [Beijing National Laboratory for Molecular Sciences, Key Laboratory of Molecular Nanostructure and Nanotechnology, Institute of Chemistry Chinese Academy of Sciences, 2 Zhongguancun North 1st Street, Beijing 100190 (China); Liu, Huiliang, E-mail: lhl518@vip.sina.com [Department of Cardiology, The General Hospital of Chinese People’s Armed Police Forces, Beijing 100039 (China); Fang, Xiaohong, E-mail: xfang@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences, Key Laboratory of Molecular Nanostructure and Nanotechnology, Institute of Chemistry Chinese Academy of Sciences, 2 Zhongguancun North 1st Street, Beijing 100190 (China)

    2014-06-13

    Highlights: • We evaluated both single molecule binding ability and expression level of 4 ICAM-1 mutations. • AFM was used to measure single-molecule binding ability on living cells. • The SNP of ICAM-1 may induce changes in expressions rather than single-molecule binding ability. - Abstract: Atherosclerosis (As) is characterized by chronic inflammation and is a major cause of human mortality. ICAM-1-mediated adhesion of leukocytes in vessel walls plays an important role in the pathogenesis of atherosclerosis. Two single nucleotide polymorphisms (SNPs) of human intercellular adhesion molecule-1 (ICAM-1), G241R and K469E, are associated with a number of inflammatory diseases. SNP induced changes in ICAM-1 function rely not only on the expression level but also on the single-molecule binding ability which may be affected by single molecule conformation variations such as protein splicing and folding. Previous studies have shown associations between G241R/K469E polymorphisms and ICAM-1 gene expression. Nevertheless, few studies have been done that focus on the single-molecule forces of the above SNPs and their ligands. In the current study, we evaluated both single molecule binding ability and expression level of 4 ICAM-1 mutations – GK (G241/K469), GE (G241/E469), RK (R241/K469) and RE (R241/E469). No difference in adhesion ability was observed via cell adhesion assay or atomic force microscopy (AFM) measurement when comparing the GK, GE, RK, or RE genotypes of ICAM-1 to each other. On the other hand, flow cytometry suggested that there was significantly higher expression of GE genotype of ICAM-1 on transfected CHO cells. Thus, we concluded that genetic susceptibility to diseases related to ICAM-1 polymorphisms, G241R or K469E, might be due to the different expressions of ICAM-1 variants rather than to the single-molecule binding ability of ICAM-1.

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

    Science.gov (United States)

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

    2017-11-01

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

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

    Science.gov (United States)

    Ebrahimi, Bahram

    2017-03-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Merzbacher, E.

    1976-01-01

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

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

    Science.gov (United States)

    Wille, U.

    1982-03-01

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

  14. (shell) nanoparticles

    Indian Academy of Sciences (India)

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

  15. 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...

  16. Shell worlds

    Science.gov (United States)

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

    2013-02-01

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

  17. Fast kVp-switching dual energy contrast-enhanced thorax and cardiac CT: A phantom study on the accuracy of iodine concentration and effective atomic number measurement.

    Science.gov (United States)

    Papadakis, Antonios E; Damilakis, John

    2017-09-01

    To assess the effect of vessel diameter and exposure parameters on the estimation accuracy of concentration and effective atomic number (Z eff ) of iodine (I) in contrast-enhanced thorax and cardiac dual-energy CT using a modern fast kVp-switching CT scanner. A standard semi-anthropomorphic cardiac CT phantom devised to simulate the human chest at three different body habitus i.e., medium-sized, large-sized, and obese, was scanned using a fast kVp-switching Revolution-GSI GE CT scanner. Five cylindrical, 10 mm diameter, vials were filled with solutions prepared by diluting I contrast at five concentrations (2.5, 5, 10, 15, and 20 mg I/ml). To simulate small vessels, pipette tips with a diameter ranging from 5 mm to 0.5 mm were employed. The vials and pipette tips were accommodated within the semi-anthropomorphic phantom. CT acquisitions were performed in the fast kVp-switching dual-energy mode at six different CTDI w values. Acquisitions were also performed at 80, 100, 120, and 140 kVp. Images were acquired at 64 × 0.625 mm beam collimation and reconstructed at 2.5 mm using all available reconstruction filter kernels. Virtual monochromatic spectral (VMS) images, iodine concentration (I Meas ), and Z eff maps were reconstructed. Hounsfield unit as a function of energy (HU keV ) in VMS and single-kVp (HU kVp ), I Meas and Z eff were measured at each CTDI w . The effect of vessel diameter on I Meas and Z eff was investigated. Measured HU keV and Z eff were compared to theoretically estimated values and I Meas were compared to nominal (I Nom ) values. In 10 mm diameter vessels, HU keV values were accurate to 18% for the medium-sized, 22% for the large-sized and 39% for the obese phantoms. I Meas was underestimated by up to 10% for the medium-sized, 26% for the large-sized and 33% for the obese phantom. I Meas error decreased with increasing CTDI w from ±0.799 mg/ml at 8.61 mGy to ±0.082 mg/ml at 32.01 mGy. The percentage difference between measured and theoretically

  18. 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

  19. A short pulse (7 micros FWHM) and high repetition rate (dc-5 kHz) cantilever piezovalve for pulsed atomic and molecular beams.

    Science.gov (United States)

    Irimia, Daniel; Dobrikov, Dimitar; Kortekaas, Rob; Voet, Han; van den Ende, Daan A; Groen, Wilhelm A; Janssen, Maurice H M

    2009-11-01

    In this paper we report on the design and operation of a novel piezovalve for the production of short pulsed atomic or molecular beams. The high speed valve operates on the principle of a cantilever piezo. The only moving part, besides the cantilever piezo itself, is a very small O-ring that forms the vacuum seal. The valve can operate continuous (dc) and in pulsed mode with the same drive electronics. Pulsed operation has been tested at repetition frequencies up to 5 kHz. The static deflection of the cantilever, as mounted in the valve body, was measured as a function of driving field strength with a confocal microscope. The deflection and high speed dynamical response of the cantilever can be easily changed and optimized for a particular nozzle diameter or repetition rate by a simple adjustment of the free cantilever length. Pulsed molecular beams with a full width at half maximum pulse width as low as 7 micros have been measured at a position 10 cm downstream of the nozzle exit. This represents a gas pulse with a length of only 10 mm making it well matched to for instance experiments using laser beams. Such a short pulse with 6 bar backing pressure behind a 150 microm nozzle releases about 10(16) particles/pulse and the beam brightness was estimated to be 4x10(22) particles/(s str). The short pulses of the cantilever piezovalve result in a much reduced gas load in the vacuum system. We demonstrate operation of the pulsed valve with skimmer in a single vacuum chamber pumped by a 520 l/s turbomolecular pump maintaining a pressure of 5x10(-6) Torr, which is an excellent vacuum to have the strong and cold skimmed molecular beam interact with laser beams only 10 cm downstream of the nozzle to do velocity map slice imaging with a microchannel-plate imaging detector in a single chamber. The piezovalve produces cold and narrow (Delta v/v=2%-3%) velocity distributions of molecules seeded in helium or neon at modest backing pressures of only 6 bar. The low gas load of the

  20. A short pulse (7 μs FWHM) and high repetition rate (dc-5kHz) cantilever piezovalve for pulsed atomic and molecular beams

    Science.gov (United States)

    Irimia, Daniel; Dobrikov, Dimitar; Kortekaas, Rob; Voet, Han; van den Ende, Daan A.; Groen, Wilhelm A.; Janssen, Maurice H. M.

    2009-11-01

    In this paper we report on the design and operation of a novel piezovalve for the production of short pulsed atomic or molecular beams. The high speed valve operates on the principle of a cantilever piezo. The only moving part, besides the cantilever piezo itself, is a very small O-ring that forms the vacuum seal. The valve can operate continuous (dc) and in pulsed mode with the same drive electronics. Pulsed operation has been tested at repetition frequencies up to 5 kHz. The static deflection of the cantilever, as mounted in the valve body, was measured as a function of driving field strength with a confocal microscope. The deflection and high speed dynamical response of the cantilever can be easily changed and optimized for a particular nozzle diameter or repetition rate by a simple adjustment of the free cantilever length. Pulsed molecular beams with a full width at half maximum pulse width as low as 7 μs have been measured at a position 10 cm downstream of the nozzle exit. This represents a gas pulse with a length of only 10 mm making it well matched to for instance experiments using laser beams. Such a short pulse with 6 bar backing pressure behind a 150 μm nozzle releases about 1016 particles/pulse and the beam brightness was estimated to be 4×1022 particles/(s str). The short pulses of the cantilever piezovalve result in a much reduced gas load in the vacuum system. We demonstrate operation of the pulsed valve with skimmer in a single vacuum chamber pumped by a 520 l/s turbomolecular pump maintaining a pressure of 5×10-6 Torr, which is an excellent vacuum to have the strong and cold skimmed molecular beam interact with laser beams only 10 cm downstream of the nozzle to do velocity map slice imaging with a microchannel-plate imaging detector in a single chamber. The piezovalve produces cold and narrow (Δv /v=2%-3%) velocity distributions of molecules seeded in helium or neon at modest backing pressures of only 6 bar. The low gas load of the cantilever

  1. The high-density electron gas: How momentum distribution n (k) and static structure factor S(q) are mutually related through the off-shell self-energy {sigma}(k,{omega})

    Energy Technology Data Exchange (ETDEWEB)

    Ziesche, P. [Max-Planck-Institut fuer Physik Komplexer Systeme, Dresden (Germany)

    2010-10-15

    For the spin-unpolarized uniform electron gas, rigorous theorems are used (Migdal, Galitskii-Migdal, Hellmann-Feynman) which allow the calculation of the pair density, g(r), or equivalently its Fourier transform, the static structure factor, S(q), from the dynamical 1-body self-energy {sigma}(k,{omega}), supposing the self-energy is (approximately) known as a functional, depending on the kinetic energy of a single electron, t(k), and on the bare Coulomb repulsion between two electrons, v(q). With the momentum distribution, n(k), and with the kinetic (t) and potential (v) components of the total energy e=t+v, the respective steps are: (i) {sigma}(k,{omega}){yields}n(k){yields}t, (ii) {sigma}(k,{omega}){yields}v, (iii) t+v= e{yields}S(q). How this general scheme works in detail is shown explicitly for the high-density limit (as an illustration). For this case the ring-diagram partial summation or random-phase approximation applies. In this way, the results of Macke (1950), Gell-Mann/Brueckner (1957), Daniel/Vosko (1960), Kulik (1961), and Kimball (1976) are summarized in a coherent manner. Besides, several identities were brought to the light, e.g. the Kimball function for S(q) proves to be identical with Macke's momentum transfer function I(q) for e. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  2. Concentrations of As, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Mg, Mn, Mo, Na, Ni, Pb, and Zn in uruguayan rice determined by atomic absorption spectrometry

    Directory of Open Access Journals (Sweden)

    Mario E. Rivero Huguet

    2011-04-01

    Full Text Available The United Nations General Assembly declared the year 2004 the International Year of Rice and the concept "Rice is life". The largest nutritional problems occurring globally are protein-energy malnutrition, and Ca, Fe, I, Zn, and vitamin A deficiency. In this report, 49 rice samples (Oryza sativa L. were digested by dry ashing in order to determine As, Cd, Cr, and Pb by ETA-AAS; while Ca, Co, Cu, Fe, K, Mg, Mo, Mn, Na, Ni, and Zn were determined by FAAS; and Hg by CV-AAS using microwave-assisted decomposition. The following concentration ranges were obtained for Ca (9.1-15 mg/100 g, Cd (2.30-4.12 µg/kg, Co (41-60 µg/kg, Cu (1.33-180 mg/kg, Fe (4.41-7.15 mg/kg, K (167-217 mg/100 g, Mg (45-121 mg/100 g, Mo (0.52-0.97 mg/kg, Mn (5.45-25.4 mg/kg, Na (0.95-2.50 mg/100g, Ni (0.53-0.72 mg/kg, and Zn (5.86-12.6 mg/kg. Mean recoveries of elements from fortified rice were: 87±12% for As, 95.3±8.9% for Ca, 106.2±7.7% for Cd, 103.3±6.5% for Co, 89.4±8.1% for Cr, 99.3±4.6% for Cu, 103±10% for Fe, 96.3±9.3% for Hg, 95.4±12% for K, 98.3±8.0% for Mg, 93.4±7.8% for Mo, 95.3±9.9% for Mn, 89±12% for Na, 90.3±9.7% for Ni, 91.2±5.5% for Pb and 92.0±9.4% for Zn. The concentrations of the minerals and microelements studied fall within the typical range of rice grown around the world. Potassium was the most abundant mineral, followed by Mg and Ca; among microelements, the concentrations of Cu, Fe, Mo, Mn, Na, and Zn in rice were outstanding. It was also found that the milling process highly affects the K, Mg, Mn, Na, and Zn concentrations, while it has little influence on Ca, Co, Cu, and Fe. On the other hand, there is a loss of Ca, Fe, and Mn during the parboiling process. Recent studies have shown the potential to exploit the genetic variation of rice seeds with regard to the concentration of some minerals (Ca, Fe, Zn, etc. without affecting yield or adding new traits. All rice samples tested showed lower levels of As, Cd, Hg, and Pb in comparison

  3. Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations

    Science.gov (United States)

    Jin-Ping, Zhang; Yang-Yang, Zhang; Er-Ping, Wang; Cui-Ming, Tang; Xin-Lu, Cheng; Qiu-Hui, Zhang

    2016-03-01

    The thermal stability of Ti@Al core/shell nanoparticles with different sizes and components during continuous heating and cooling processes is examined by a molecular dynamics simulation with embedded atom method. The thermodynamic properties and structure evolution during continuous heating and cooling processes are investigated through the characterization of the potential energy, specific heat distribution, and radial distribution function (RDF). Our study shows that, for fixed Ti core size, the melting temperature decreases with Al shell thickness, while the crystallizing temperature and glass formation temperature increase with Al shell thickness. Diverse melting mechanisms have been discovered for different Ti core sized with fixed Al shell thickness nanoparticles. The melting temperature increases with the Ti core radius. The trend agrees well with the theoretical phase diagram of bimetallic nanoparticles. In addition, the glass phase formation of Al-Ti nanoparticles for the fast cooling rate of 12 K/ps, and the crystal phase formation for the low cooling rate of 0.15 K/ps. The icosahedron structure is formed in the frozen 4366 Al-Ti atoms for the low cooling rate. Project supported by the National Natural Science Foundation of China (Grant No. 21401064), the Science & Technology Development Program of Henan Province, China (Grant No. 142300410282), and the Program of Henan Educational Committee, China (Grant No. 13B140986).

  4. Growth models of coexisting p(2 × 1) and c(6 × 2) phases on an oxygen-terminated Cu(110) surface studied by noncontact atomic force microscopy at 78 K.

    Science.gov (United States)

    Li, Yan Jun; Lee, Seung Hwan; Kinoshita, Yukinori; Ma, Zong Min; Wen, Huanfei; Nomura, Hikaru; Naitoh, Yoshitaka; Sugawara, Yasuhiro

    2016-05-20

    We present an experimental study of coexisting p(2 × 1) and c(6 × 2) phases on an oxygen-terminated Cu(110) surface by noncontact atomic force microscopy (NC-AFM) at 78 K. Ball models of the growth processes of coexisting p(2 × 1)/c(6 × 2) phases on a terrace and near a step are proposed. We found that the p(2 × 1) and c(6 × 2) phases are grown from the super Cu atoms on both sides of O-Cu-O rows of an atomic spacing. In this paper, we summarize our investigations of an oxygen-terminated Cu(110) surface by NC-AFM employing O- and Cu-terminated tips. Also, we state several problems and issues for future investigation.

  5. Evidence for Ultra-Fast Outflows in Radio-Quiet AGNs. 2; Detailed Photoionization Modeling of Fe K-Shell Absorption Lines

    Science.gov (United States)

    Tombesi, Francesco; Clapp, M.; Reeves, J. N.; Palumbo, G. G. C.; Braito, V.; Dadina, M.

    2011-01-01

    X-ray absorption line spectroscopy has recently shown evidence for previously unknown Ultra-fast Outflows (UFOs) in radio-quiet AGNs. In the previous paper of this series we defined UFOs as those absorbers with an outflow velocity higher than 10,000km/s and assessed the statistical significance of the associated blue shifted FeK absorption lines in a large sample of 42 local radio-quiet AGNs observed with XMM-Newton. In the present paper we report a detailed curve of growth analysis and directly model the FeK absorbers with the Xstar photo-ionization code. We confirm that the frequency of sources in the radio-quiet sample showing UFOs is >35%. The outflow velocity distribution spans from \\sim10,000km/s (\\sim0.03c) up to \\siml00,000kmis (\\sim0.3c), with a peak and mean value of\\sim42,000km/s (\\sim0.14c). The ionization parameter is very high and in the range log\\xi 3-6 erg s/cm, with a mean value of log\\xi 4.2 erg s/cm. The associated column densities are also large, in the range N_H\\siml0(exp 22)-10(exp 24)/sq cm, with a mean value of N_H\\siml0(exp23)/sq cm. We discuss and estimate how selection effects, such as those related to the limited instrumental sensitivity at energies above 7keV, may hamper the detection of even higher velocities and higher ionization absorbers. We argue that, overall, these results point to the presence of extremely ionized and possibly almost Compton thick outflowing material in the innermost regions of AGNs. This also suggests that UFOs may potentially play a significant role in the expected cosmological feedback from AGNs and their study can provide important clues on the connection between accretion disks, winds and jets.

  6. A hybrid method using the widely-used WIEN2k and VASP codes to calculate the complete set of XAS/EELS edges in a hundred-atoms system.

    Science.gov (United States)

    Donval, Gaël; Moreau, Philippe; Danet, Julien; Larbi, Séverine Jouanneau-Si; Bayle-Guillemaud, Pascale; Boucher, Florent

    2017-01-04

    Most of the recent developments in EELS modelling has been focused on getting a better agreement with measurements. Less work however has been dedicated to bringing EELS calculations to larger structures that can more realistically describe actual systems. The purpose of this paper is to present a hybrid approach well adapted to calculating the whole set of localised EELS core-loss edges (at the XAS level of theory) on larger systems using only standard tools, namely the WIEN2k and VASP codes. We illustrate the usefulness of this method by applying it to a set of amorphous silicon structures in order to explain the flattening of the silicon L 2,3 EELS edge peak at the onset. We show that the peak flattening is actually caused by the collective contribution of each of the atoms to the average spectrum, as opposed to a flattening occurring on each individual spectrum. This method allowed us to reduce the execution time by a factor of 3 compared to a usual-carefully optimised-WIEN2k calculation. It provided even greater speed-ups on more complex systems (interfaces, ∼300 atoms) that will be presented in a future paper. This method is suited to calculate all the localized edges of all the atoms of a structure in a single calculation for light atoms as long as the core-hole effects can be neglected.

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

    Science.gov (United States)

    Talbot, Christopher; Neo, Choo Tong

    2013-01-01

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

  8. K Karunakaran Nair

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics. K Karunakaran Nair. Articles written in Pramana – Journal of Physics. Volume 67 Issue 3 September 2006 pp 501-506 Research Articles. Simulated mixed absorbers and effective atomic numbers for attenuation · K Karunakaran Nair N Ramachandran K K Abdullah K M ...

  9. 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.

  10. Precise measurement of αK and αT for the 150.8-keV E3 transition in 111Cd: Test of internal-conversion theory

    Science.gov (United States)

    Nica, N.; Hardy, J. C.; Iacob, V. E.; Werke, T. A.; Folden, C. M., III; Pineda, L.; Trzhaskovskaya, M. B.

    2016-03-01

    We have measured the K-shell and total internal-conversion coefficients, αK and αT, for the 150.8-keV E3 transition in 111Cd to be 1.449(18) and 2.217(26), respectively. The αK result agrees well with Dirac-Fock calculations in which the effect of the K-shell atomic vacancy is accounted for; it extends our precision tests of αK calculations to Z=48, the lowest Z yet measured. However, the result for αT disagrees by about two standard deviations from the calculated αT value, whether or not the atomic vacancy is included.

  11. Ground state instabilities of protein shells are eliminated by buckling.

    Science.gov (United States)

    Singh, Amit R; Perotti, Luigi E; Bruinsma, Robijn F; Rudnick, Joseph; Klug, William S

    2017-11-15

    We propose a hybrid discrete-continuum model to study the ground state of protein shells. The model allows for shape transformation of the shell and buckling transitions as well as the competition between states with different symmetries that characterize discrete particle models with radial pair potentials. Our main results are as follows. For large Föppl-von Kármán (FvK) numbers the shells have stable isometric ground states. As the FvK number is reduced, shells undergo a buckling transition resembling that of thin-shell elasticity theory. When the width of the pair potential is reduced below a critical value, then buckling coincides with the onset of structural instability triggered by over-stretched pair potentials. Chiral shells are found to be more prone to structural instability than achiral shells. It is argued that the well-width appropriate for protein shells lies below the structural instability threshold. This means that the self-assembly of protein shells with a well-defined, stable structure is possible only if the bending energy of the shell is sufficiently low so that the FvK number of the assembled shell is above the buckling threshold.

  12. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

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

  13. Chemistry with bigger, better atoms

    Indian Academy of Sciences (India)

    DELL

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

  14. A short pulse (7 μs FWHM) and high repetition rate (dc-5kHz) cantilever piezovalve for pulsed atomic and molecular beams

    NARCIS (Netherlands)

    Irimia, D.; Dobrikov, D.; Kortekaas, R.; Voet, H.; Ende, D.A. van den; Groen, W.A.; Janssen, M.H.M.

    2009-01-01

    In this paper we report on the design and operation of a novel piezovalve for the production of short pulsed atomic or molecular beams. The high speed valve operates on the principle of a cantilever piezo. The only moving part, besides the cantilever piezo itself, is a very small O-ring that forms

  15. A short pulse (7 micros FWHM) and high repetition rate (dc-5 kHz) cantilever piezovalve for pulsed atomic and molecular beams

    NARCIS (Netherlands)

    Irimia, D.; Dobrikov, D.H.; Kortekaas, R.; van der Voet, H.; van den Ende, D.A.; Groen, W.E.; Janssen, M.H.M.

    2009-01-01

    In this paper we report on the design and operation of a novel piezovalve for the production of short pulsed atomic or molecular beams. The high speed valve operates on the principle of a cantilever piezo. The only moving part, besides the cantilever piezo itself, is a very small O-ring that forms

  16. PEGylation of αα-Hb using succinimidyl propionic acid PEG 5K: Conjugation chemistry and PEG shell structure dictate respectively the oxygen affinity and resuscitation fluid like properties of PEG αα-Hbs.

    Science.gov (United States)

    Meng, Fantao; Tsai, Amy G; Intaglietta, Marcos; Acharya, Seetharama A

    2015-01-01

    PEGylation of intramolecularly crosslinked Hb has been studied here to overcome the limitation of dissociation of Hb tetramers. New hexa and deca PEGylated low oxygen affinity PEG-ααHbs have been generated. Influence of PEG conjugation chemistry and the PEG shell structure on the functional properties as well as PEGylation induced plasma expander like properties of the protein has been delineated. The results have established that in the design of PEG-Hbs as oxygen therapeutics, the influence of conjugation chemistry and the PEG shell structure on the oxygen affinity of Hb needs to be optimized independently besides optimizing the PEG shell structure for inducing resuscitation fluid like properties.

  17. Windows Server 2012 -palvelimen hallinta PowerShell-komennoilla

    OpenAIRE

    Pitkänen, Henri

    2013-01-01

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

  18. Shell ontogeny in radiolarians

    Digital Repository Service at National Institute of Oceanography (India)

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

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

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

    Science.gov (United States)

    Lajohn, Larry

    2017-04-01

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

  20. 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.

  1. Determination of Ca, Cr, Cu, Fe, K, Mg, Na and Zn in Brazilian medicinal plants by neutron activation and atomic absorption; Determinacao de Ca, Cr, Cu, Fe, K, Mg, Na e Zn em plantas medicinais brasileiras por ativacao neutronica e absorcao atomica

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Ricardo P. de; Sabino, Claudia de Vilhena S.; Franco, Milton B.; Amaral, Angela M.; Guedes, Joao B.; Assis, Adilson de C. [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN), Belo Horizonte, MG (Brazil); Leite, Simone C.A.L.; Silva, Isabel R. [Pontificia Univ. Catolica de Minas Gerais, Belo Horizonte, MG (Brazil)

    2002-07-01

    Medicinal plants are available in the markets in Belo Horizonte, Minas Gerais. The objective of this work is to investigate the Ca, Cr, Cu, Fe, K, Mg, Na e Zn concentrations in two lots of usually known diuretics plants (azeitona do mato, cabelo de milho, cavalinha, cervejinha do campo, chapeu de couro, congonha de bugre, marmelinho do campo and quebra pedra) bought with an interval of time - six months - between the purchases. The elemental concentrations were determined applying k{sub 0} instrumental neutron activation analysis and atomic absorption spectrophotometry analysis. (author)

  2. Shell concrete pavement.

    Science.gov (United States)

    1966-10-01

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

  3. Impact Crater Morphology and the Structure of Europa's Ice Shell

    Science.gov (United States)

    Silber, Elizabeth A.; Johnson, Brandon C.

    2017-12-01

    We performed numerical simulations of impact crater formation on Europa to infer the thickness and structure of its ice shell. The simulations were performed using iSALE to test both the conductive ice shell over ocean and the conductive lid over warm convective ice scenarios for a variety of conditions. The modeled crater depth-diameter is strongly dependent on the thermal gradient and temperature of the warm convective ice. Our results indicate that both a fully conductive (thin) shell and a conductive-convective (thick) shell can reproduce the observed crater depth-diameter and morphologies. For the conductive ice shell over ocean, the best fit is an approximately 8 km thick conductive ice shell. Depending on the temperature (255-265 K) and therefore strength of warm convective ice, the thickness of the conductive ice lid is estimated at 5-7 km. If central features within the crater, such as pits and domes, form during crater collapse, our simulations are in better agreement with the fully conductive shell (thin shell). If central features form well after the impact, however, our simulations suggest that a conductive-convective shell (thick shell) is more likely. Although our study does not provide a firm conclusion regarding the thickness of Europa's ice shell, our work indicates that Valhalla class multiring basins on Europa may provide robust constraints on the thickness of Europa's ice shell.

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

    Science.gov (United States)

    Fiordilino, E.; Mittleman, M. H.

    1983-01-01

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

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

    Science.gov (United States)

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

    2016-01-01

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

  6. Fluctuating shells under pressure

    Science.gov (United States)

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

    2012-01-01

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

  7. Kinetics and product identification of the reactions of (E)-2-hexenyl acetate and 4-methyl-3-penten-2-one with OH radicals and Cl atoms at 298 K and atmospheric pressure

    Science.gov (United States)

    Gaona-Colmán, Elizabeth; Blanco, María B.; Teruel, Mariano A.

    2017-07-01

    Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with two biogenic volatile organic compounds as (E)-2-hexenyl acetate and 4-methyl-3-penten-2-one have been determined at 298 K and atmospheric pressure. The decay of the organics was followed using a chromatograph with a flame ionization detector (GC-FID) and the rate constants were determined using a relative rate method. Rate coefficients are found to be (in cm3 molecule-1 s-1): k1(OH + (E)-2-hexenyl acetate) = (6.88 ± 1.41) × 10-11, k2(Cl + (E)-2-hexenyl acetate) = (3.10 ± 1.13) × 10-10, k3(OH + 4-methyl-3-penten-2-one) = (1.02 ± 0.20) × 10-10 and k4(Cl + 4-methyl-3-penten-2-one) = (2.66 ± 0.90) × 10-10 at 298 K. This is the first kinetic experimental study for these reactions studied under atmospheric pressure. The rate coefficients are compared with previous determinations for other unsaturated and oxygenated compounds and reactivity trends are presented. Products identification studies were performed using solid-phase microextraction (SPME) method employing on-fiber products derivatization with o-(2,3,4,5,6-pentafluorobenzyl) hydroxylamine hydrochloride using gas chromatograph with a mass spectrometer detector (GC-MS) for the reactions studied. In addition, atmospheric lifetimes of the unsaturated compounds studied are estimated and compared with other tropospheric sinks for these compounds.

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

    Science.gov (United States)

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

    2018-02-01

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

  9. 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.

  10. 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.

  11. Atomic Physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

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

  12. Near-Atomic Resolution Structure Determination of a Cypovirus Capsid and Polymerase Complex Using Cryo-EM at 200kV.

    Science.gov (United States)

    Li, Xiaowu; Zhou, Niyun; Chen, Wenyuan; Zhu, Bin; Wang, Xurong; Xu, Bin; Wang, Jiawei; Liu, Hongrong; Cheng, Lingpeng

    2017-01-06

    Single-particle cryo-electron microscopy (cryo-EM) allows the high-resolution structural determination of biological assemblies in a near-native environment. However, all high-resolution (better than 3.5Å) cryo-EM structures reported to date were obtained by using 300kV transmission electron microscopes (TEMs). We report here the structures of a cypovirus capsid of 750-Å diameter at 3.3-Å resolution and of RNA-dependent RNA polymerase (RdRp) complexes within the capsid at 3.9-Å resolution using a 200-kV TEM. The newly resolved structure revealed conformational changes of two subdomains in the RdRp. These conformational changes, which were involved in RdRp's switch from non-transcribing to transcribing mode, suggest that the RdRp may facilitate the unwinding of genomic double-stranded RNA. The possibility of 3-Å resolution structural determinations for biological assemblies of relatively small sizes using cryo-EM at 200kV was discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. A Comprehensive X-Ray Absorption Model for Atomic Oxygen

    Science.gov (United States)

    Gorczyca, T. W.; Bautista, M. A.; Hasoglu, M. F.; Garcia, J.; Gatuzz, E.; Kaastra, J. S.; Kallman, T. R.; Manson, S. T.; Mendoza, C.; Raassen, A. J. J.; hide

    2013-01-01

    An analytical formula is developed to accurately represent the photoabsorption cross section of atomic Oxygen for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

  14. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

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

    2005-01-01

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

  15. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S

    2010-01-01

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

  16. Magnetism of electrons in atoms and superatoms

    Science.gov (United States)

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

    2012-09-01

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

  17. 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

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

    Indian Academy of Sciences (India)

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

  19. HPAM: Hirshfeld partitioned atomic multipoles

    Science.gov (United States)

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

    2012-02-01

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

  20. Can atom-surface potential measurements test atomic structure models?

    Science.gov (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2011-06-30

    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  1. SHELL ISOTOPE GEOCHEMISTRY

    African Journals Online (AJOL)

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

  2. Learning the Bash Shell

    CERN Document Server

    Newham, Cameron

    2005-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-04-14

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

  4. Room temperature nanojoining of Cu-Ag core-shell nanoparticles and nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jiaqi; Shin, Seungha, E-mail: sshin@utk.edu [The University of Tennessee, Department of Mechanical, Aerospace and Biomedical Engineering (United States)

    2017-02-15

    Room temperature (T{sub room}, 300 K) nanojoining of Ag has been widely employed in fabrication of microelectronic applications where the shapes and structures of microelectronic components must be maintained. In this research, the joining processes of pure Ag nanoparticles (NPs), Cu-Ag core-shell NPs, and nanowires (NWs) are studied using molecular dynamics simulations at T{sub room}. The evolution of densification, potential energy, and structural deformation during joining process are analyzed to identify joining mechanisms. Depending on geometry, different joining mechanisms including crystallization-amorphization, reorientation, Shockley partial dislocation are determined. A three-stage joining scenario is observed in both joining process of NPs and NWs. Besides, the Cu core does not participate in all joining processes, however, it enhances the mobility of Ag shell atoms, contributing to a higher densification and bonding strength at T{sub room}, compared with pure Ag nanomaterials. The tensile test shows that the nanojoint bears higher rupture strength than the core-shell NW itself. This study deepens understanding in the underlying joining mechanisms and thus nanojoint with desirable thermal, electrical, and mechanical properties could be potentially achieved.

  5. Room temperature nanojoining of Cu-Ag core-shell nanoparticles and nanowires

    Science.gov (United States)

    Wang, Jiaqi; Shin, Seungha

    2017-02-01

    Room temperature ( T room, 300 K) nanojoining of Ag has been widely employed in fabrication of microelectronic applications where the shapes and structures of microelectronic components must be maintained. In this research, the joining processes of pure Ag nanoparticles (NPs), Cu-Ag core-shell NPs, and nanowires (NWs) are studied using molecular dynamics simulations at T room. The evolution of densification, potential energy, and structural deformation during joining process are analyzed to identify joining mechanisms. Depending on geometry, different joining mechanisms including crystallization-amorphization, reorientation, Shockley partial dislocation are determined. A three-stage joining scenario is observed in both joining process of NPs and NWs. Besides, the Cu core does not participate in all joining processes, however, it enhances the mobility of Ag shell atoms, contributing to a higher densification and bonding strength at T room, compared with pure Ag nanomaterials. The tensile test shows that the nanojoint bears higher rupture strength than the core-shell NW itself. This study deepens understanding in the underlying joining mechanisms and thus nanojoint with desirable thermal, electrical, and mechanical properties could be potentially achieved.

  6. Atomic physics

    CERN Document Server

    Born, Max

    1969-01-01

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

  7. Early Atomism

    Indian Academy of Sciences (India)

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

  8. Investigation of (235)U, (226)Ra, (232)Th, (40)K, (137)Cs, and heavy metal concentrations in Anzali international wetland using high-resolution gamma-ray spectrometry and atomic absorption spectroscopy.

    Science.gov (United States)

    Zare, Mohammad Reza; Kamali, Mahdi; Fallahi Kapourchali, Maryam; Bagheri, Hashem; Khoram Bagheri, Mahdi; Abedini, Ali; Pakzad, Hamid Reza

    2016-02-01

    Measurements of natural radioactivity levels and heavy metals in sediment and soil samples of the Anzali international wetland were carried out by two HPGe-gamma ray spectrometry and atomic absorption spectroscopy techniques. The concentrations of (235)U, (226)Ra, (232)Th, (40)K, and (137)Cs in sediment samples ranged between 1.05 ± 0.51-5.81 ± 0.61, 18.06 ± 0.63-33.36 ± .0.34, 17.57 ± 0.38-45.84 ± 6.23, 371.88 ± 6.36-652.28 ± 11.60, and 0.43 ± 0.06-63.35 ± 0.94 Bq/kg, while in the soil samples they vary between 2.36-5.97, 22.71-38.37, 29.27-42.89, 472.66-533, and 1.05-9.60 Bq/kg for (235)U, (226)Ra, (232)Th, (40)K, and (137)Cs, respectively. Present results are compared with the available literature data and also with the world average values. The radium equivalent activity was well below the defined limit of 370 Bq/kg. The external hazard indices were found to be less than 1, indicating a low dose. Heavy metal concentrations were found to decrease in order as Fe > Mn > Sr > Zn > Cu > Cr > Ni > Pb > Co > Cd. These measurements will serve as background reference levels for the Anzali wetland.

  9. Nuclear shell theory

    CERN Document Server

    de-Shalit, Amos; Massey, H S W

    1963-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-20

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

  11. Magnetization-prepared shells trajectory with automated gradient waveform design.

    Science.gov (United States)

    Shu, Yunhong; Tao, Shengzhen; Trzasko, Joshua D; Huston, John; Weavers, Paul T; Bernstein, Matt A

    2017-08-21

    To develop a fully automated trajectory and gradient waveform design for the non-Cartesian shells acquisition, and to develop a magnetization-prepared (MP) shells acquisition to achieve an efficient three-dimensional acquisition with improved gray-to-white brain matter contrast. After reviewing the shells k-space trajectory, a novel, fully automated trajectory design is developed that allows for gradient waveforms to be automatically generated for specified acquisition parameters. Designs for two types of shells are introduced, including fully sampled and undersampled/accelerated shells. Using those designs, an MP-Shells acquisition is developed by adjusting the acquisition order of shells interleaves to synchronize the center of k-space sampling with the peak of desired gray-to-white matter contrast. The feasibility of the proposed design and MP-Shells is demonstrated using simulation, phantom, and volunteer subject experiments, and the performance of MP-Shells is compared with a clinical Cartesian magnetization-prepared rapid gradient echo acquisition. Initial experiments show that MP-Shells produces excellent image quality with higher data acquisition efficiency and improved gray-to-white matter contrast-to-noise ratio (by 36%) compared with the conventional Cartesian magnetization-prepared rapid gradient echo acquisition. We demonstrated the feasibility of a three-dimensional MP-Shells acquisition and an automated trajectory design to achieve an efficient acquisition with improved gray-to-white matter contrast. Magn Reson Med, 2017. © 2017 International Society for Magnetic Resonance in Medicine. © 2017 International Society for Magnetic Resonance in Medicine.

  12. Shells and Patterns

    Science.gov (United States)

    Sutley, Jane

    2009-01-01

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

  13. Multi-shelled ceria hollow spheres with a tunable shell number and thickness and their superior catalytic activity.

    Science.gov (United States)

    Liao, Yuanyuan; Li, Yuan; Wang, Lei; Zhao, Yongxia; Ma, Danyang; Wang, Biqing; Wan, Yongxia; Zhong, Shengliang

    2017-01-31

    In this work, ceria multi-shelled nanospheres with a tunable shell number and thickness were prepared by a facile coordination polymer (CP) precursor method without the use of any template and surfactant. Interestingly, the number, thickness and structure of the shell can be tuned by varying the reaction time, reaction temperature, ratio of reagent and calcination temperature. The formation process of the multi-shelled hollow spheres was also investigated, which experienced a core contraction and shell separation process. Moreover, the multi-shelled CeO2 hollow nanospheres displayed excellent photocatalytic activity in the degradation of RhB. Au and AuPd nanoparticle loaded multi-shelled CeO2 nanocomposites were also prepared. Results show that Au/CeO2 multi-shelled hollow nanospheres showed eximious catalytic activity for the reduction of p-nitrophenol with a reaction rate constant k of 0.416 min. In addition, AuPd/CeO2 exhibited a remarkable catalytic activity for the conversion of CO. Employing this method, heavy rare earth oxide multi-shelled structures and light rare earth oxide solid spheres were obtained. This method may be employed for the preparation of other materials with complex structures.

  14. 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.

  15. Relativistic calculations of the non-resonant two-photon ionization of neutral atoms

    CERN Document Server

    Hofbrucker, Jiri; Fritzsche, Stephan

    2016-01-01

    The non-resonant two-photon one-electron ionization of neutral atoms is studied theoretically in the framework of relativistic second-order perturbation theory and independent particle approximation. In particular, the importance of relativistic and screening effects in the total two-photon ionization cross section is investigated. Detailed computations have been carried out for the K-shell ionization of neutral Ne, Ge, Xe, and U atoms. The relativistic effects significantly decrease the total cross section, for the case of U, for example, they reduce the total cross section by a factor of two. Moreover, we have found that the account for the screening effects of the remaining electrons leads to occurrence of an unexpected minimum in the total cross section at the total photon energies equal to the ionization threshold, for the case of Ne, for example, the cross section drops there by a factor of three.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-02-15

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

  17. Kinetics, products, and stereochemistry of the reaction of chlorine atoms with cis- and trans-2-butene in 10-700 Torr of N2 or N2/O2 diluent at 297 K.

    Science.gov (United States)

    Kaiser, E W; Donahue, C J; Pala, I R; Wallington, T J; Hurley, M D

    2007-02-22

    The reactions of Cl atoms with cis- and trans-2-butene have been studied using FTIR and GC analyses. The rate constant of the reaction was measured using the relative rate technique. Rate constants for the cis and trans isomers are indistinguishable over the pressure range 10-900 Torr of N2 or air and agree well with previous measurements at 760 Torr. Product yields for the reaction of cis-2-butene with Cl in N2 at 700 Torr are meso-2,3-dichlorobutane (47%), DL-2,3-dichlorobutane (18%), 3-chloro-1-butene (13%), cis-1-chloro-2-butene (13%), trans-1-chloro-2-butene (2%), and trans-2-butene (8%). The yields of these products depend on the total pressure. For trans-2-butene, the product yields are as follows: meso-2,3-dichlorobutane (48%), dl-2,3-dichlorobutane (17%), 3-chloro-1-butene (12%), cis-1-chloro-2-butene (2%), trans-1-chloro-2-butene (16%), and cis-2-butene (2%). The products are formed via addition, addition-elimination from a chemically activated adduct, and abstraction reactions. These reactions form (1) the stabilized 3-chloro-2-butyl radical, (2) the chemically activated 3-chloro-2-butyl radical, and (3) the methylallyl radical. These radicals subsequently react with Cl2 to form the products via a proposed chemical mechanism, which is discussed herein. This is the first detailed study of stereochemical effects on the products of a gas-phase Cl+olefin reaction. FTIR spectra (0.25 cm(-1) resolution) of meso- and DL-2,3-dichlorobutane are presented. The relative rate technique was used (at 900 Torr and 297 K) to measure: k(Cl + 3-chloro-1-butene) = (2.1 +/- 0.4) x 10(-10), k(Cl + 1-chloro-2-butene) = (2.2 +/- 0.4) x 10(-10), and k(Cl + 2,3-dichlorobutane) = (1.1 +/- 0.2) x 10(-11) cm3 molecule(-1) s(-1).

  18. Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal

    Directory of Open Access Journals (Sweden)

    Tsunetomo Yamada

    2016-07-01

    Full Text Available The detailed atomic structure of the binary icosahedral (i ScZn7.33 quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering. The average atomic structure has been solved using the measured Bragg intensity data based on a six-dimensional model that is isostructural to the i-YbCd5.7 one. The structure is described with a quasiperiodic packing of large Tsai-type rhombic triacontahedron clusters and double Friauf polyhedra (DFP, both resulting from a close-packing of a large (Sc and a small (Zn atom. The difference in chemical composition between i-ScZn7.33 and i-YbCd5.7 was found to lie in the icosahedron shell and the DFP where in i-ScZn7.33 chemical disorder occurs on the large atom sites, which induces a significant distortion to the structure units. The intensity in reciprocal space displays a substantial amount of diffuse scattering with anisotropic distribution, located around the strong Bragg peaks, that can be fully interpreted as resulting from phason fluctuations, with a ratio of the phason elastic constants K2/K1 = −0.53, i.e. close to a threefold instability limit. This induces a relatively large perpendicular (or phason Debye–Waller factor, which explains the vanishing of `high-Qperp' reflections.

  19. Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal

    Science.gov (United States)

    Yamada, Tsunetomo; Takakura, Hiroyuki; Euchner, Holger; Pay Gómez, Cesar; Bosak, Alexei; Fertey, Pierre; de Boissieu, Marc

    2016-01-01

    The detailed atomic structure of the binary icosahedral (i) ScZn7.33 quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering. The average atomic structure has been solved using the measured Bragg intensity data based on a six-dimensional model that is isostructural to the i-YbCd5.7 one. The structure is described with a quasiperiodic packing of large Tsai-type rhombic triacontahedron clusters and double Friauf polyhedra (DFP), both resulting from a close-packing of a large (Sc) and a small (Zn) atom. The difference in chemical composition between i-ScZn7.33 and i-YbCd5.7 was found to lie in the icosahedron shell and the DFP where in i-ScZn7.33 chemical disorder occurs on the large atom sites, which induces a significant distortion to the structure units. The intensity in reciprocal space displays a substantial amount of diffuse scattering with anisotropic distribution, located around the strong Bragg peaks, that can be fully interpreted as resulting from phason fluctuations, with a ratio of the phason elastic constants K 2/K 1 = −0.53, i.e. close to a threefold instability limit. This induces a relatively large perpendicular (or phason) Debye–Waller factor, which explains the vanishing of ‘high-Q perp’ reflections. PMID:27437112

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

    African Journals Online (AJOL)

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

  1. S K Golam Ali

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics. S K Golam Ali. Articles written in Pramana – Journal of Physics. Volume 72 Issue 2 February 2009 pp 445-450 Brief Reports. Effects of three-body atomic interaction and optical lattice on solitons in quasi-one-dimensional Bose–Einstein condensate · S K Golam Ali B Talukdar ...

  2. K R Rao

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. K R Rao. Articles written in Resonance – Journal of Science Education. Volume 2 Issue 6 June 1997 pp 54-59 General Article. The Liquid State - The Arrangement of Atoms · K R Rao · More Details Fulltext PDF. Volume 2 Issue 8 August 1997 pp 26-31 General ...

  3. Precise measurement of αK and αT for the 109.3-keV M 4 transition in 125Te: Test of internal-conversion theory

    Science.gov (United States)

    Nica, N.; Hardy, J. C.; Iacob, V. E.; Werke, T. A.; Folden, C. M.; Ofodile, K.; Trzhaskovskaya, M. B.

    2017-06-01

    We have measured the K -shell and total internal conversion coefficients (ICCs), αK and αT, for the 109.3-keV M 4 transition in 125Te to be 185.0(40) and 350.0(38), respectively. Previously this transition's ICCs were considered to be anomalous, with measured values lying below calculated ones. When compared with Dirac-Fock calculations, our new results show good agreement. The αK result agrees well with the version of the theory that takes account of the K -shell atomic vacancy and disagrees with the one that does not. This is consistent with our conclusion drawn from a series of measurements on high multipolarity transitions.

  4. Implications of heavy-ion-induced satellite x-ray emission. III. Chemical effects in high resolution sulfur K/sub. cap alpha. / x-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vane, C.R.; Hulett, L.D. Jr.; Kahane, S.; McDaniel, F.D.; Milner, W.T.; Raman, S.; Rosseel, T.M.; Slaughter, G.G.; Varghese, S.L.; Young, J.P.

    1983-01-01

    High resolution (approx. 7 eV at 2.3 keV) sulfur K/sub ..cap alpha../ x-ray spectra have been obtained for a series of sulfur compound targets under heavy ion impact at the Holified Heavy Ion Facility. The spectra observed are dominated by a series of satellite peaks arising from varying degrees of L-shell ionization at the time of x-ray emission. Each spectral profile has been parameterized by a single variable p/sub L/, the apparent average L-shell ionization probability. Correlations are evident between p/sub L/ and the corresponding sulfur atom chemical environment. Much stronger correlations are however found for variations of some individual peak intensities with specific chemical parameters. Comparison of results for Ar/sup q+/ and Kr/sup q+/ projectiles shows that while L-shell ionization probability has increased, chemical sensitivity has apparently saturated.

  5. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

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

  6. From shell logs to shell scripts

    OpenAIRE

    Jacobs, Nico; Blockeel, Hendrik

    2001-01-01

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

  7. HCl yield and chemical kinetics study of the reaction of Cl atoms with CH3I at the 298 K temperature using the infra-red tunable diode laser absorption spectroscopy

    Science.gov (United States)

    Sharma, R. C.; Blitz, M.; Wada, R.; Seakins, P. W.

    2014-07-01

    Pulsed ArF excimer laser (193 nm) - CW infrared(IR) tunable diode laser Herriott type absorption spectroscopic technique has been made for the detection of product hydrochloric acid HCl. Absorption spectroscopic technique is used in the reaction chlorine atoms with methyl iodide (Cl + CH3I) to the study of kinetics on reaction Cl + CH3I and the yield of (HCl). The reaction of Cl + CH3I has been studied with the support of the reaction Cl + C4H10 (100% HCl) at temperature 298 K. In the reaction Cl + CH3I, the total pressure of He between 20 and 125 Torr at the constant concentration of [CH3I] 7.0 × 1014 molecule cm-3. In the present work, we estimated adduct formation is very important in the reaction Cl + CH3I and reversible processes as well and CH3I molecule photo-dissociated in the methyl [CH3] radical. The secondary chemistry has been studied as CH3 + CH3ICl = product, and CH3I + CH3ICl = product2. The system has been modeled theoretically for secondary chemistry in the present work. The calculated and experimentally HCl yield nearly 65% at the concentration 1.00 × 1014 molecule cm-3 of [CH3I] and 24% at the concentration 4.0 × 1015 molecule cm-3 of [CH3I], at constant concentration 4.85 × 1012 molecule cm-3 of [CH3], and at 7.3 × 1012 molecule cm-3 of [Cl]. The pressure dependent also studied product of HCl at the constant [CH3], [Cl] and [CH3I]. The experimental results are also very good matching with the modelling work at the reaction CH3 + CH3ICl = product (k = (2.75 ± 0.35) × 10-10 s-1) and CH3I + CH3ICl = product2 (k = 1.90 ± 0.15) × 10-12 s-1. The rate coefficients of the reaction CH3 + CH3ICl and CH3I + CH3ICl has been made in the present work. The experimental results has been studied by two method (1) phase locked and (2) burst mode.

  8. HCl yield and chemical kinetics study of the reaction of Cl atoms with CH3I at the 298K temperature using the infra-red tunable diode laser absorption spectroscopy.

    Science.gov (United States)

    Sharma, R C; Blitz, M; Wada, R; Seakins, P W

    2014-07-15

    Pulsed ArF excimer laser (193 nm)-CW infrared (IR) tunable diode laser Herriott type absorption spectroscopic technique has been made for the detection of product hydrochloric acid HCl. Absorption spectroscopic technique is used in the reaction chlorine atoms with methyl iodide (Cl+CH3I) to the study of kinetics on reaction Cl+CH3I and the yield of (HCl). The reaction of Cl+CH3I has been studied with the support of the reaction Cl+C4H10 (100% HCl) at temperature 298 K. In the reaction Cl+CH3I, the total pressure of He between 20 and 125 Torr at the constant concentration of [CH3I] 7.0×10(14) molecule cm(-3). In the present work, we estimated adduct formation is very important in the reaction Cl+CH3I and reversible processes as well and CH3I molecule photo-dissociated in the methyl [CH3] radical. The secondary chemistry has been studied as CH3+CH3ICl = product, and CH3I+CH3ICl = product2. The system has been modeled theoretically for secondary chemistry in the present work. The calculated and experimentally HCl yield nearly 65% at the concentration 1.00×10(14) molecule cm(-3) of [CH3I] and 24% at the concentration 4.0×10(15) molecule cm(-3) of [CH3I], at constant concentration 4.85×10(12) molecule cm(-3) of [CH3], and at 7.3×10(12) molecule cm(-3) of [Cl]. The pressure dependent also studied product of HCl at the constant [CH3], [Cl] and [CH3I]. The experimental results are also very good matching with the modelling work at the reaction CH3+CH3ICl = product (k = (2.75±0.35)×10(-10) s(-1)) and CH3I+CH3ICl = product2 (k = 1.90±0.15)×10(-12) s(-1). The rate coefficients of the reaction CH3+CH3ICl and CH3I+CH3ICl has been made in the present work. The experimental results has been studied by two method (1) phase locked and (2) burst mode. Copyright © 2014 Elsevier B.V. All rights reserved.

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

    Indian Academy of Sciences (India)

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

  10. Fabrication of diamond shells

    Science.gov (United States)

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

    2016-11-01

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

  11. 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.

  12. Atomic Power

    African Journals Online (AJOL)

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

  13. Direct imaging the upconversion nanocrystal core/shell structure at the subnanometer level: shell thickness dependence in upconverting optical properties.

    Science.gov (United States)

    Zhang, Fan; Che, Renchao; Li, Xiaomin; Yao, Chi; Yang, Jianping; Shen, Dengke; Hu, Pan; Li, Wei; Zhao, Dongyuan

    2012-06-13

    Lanthanide-doped upconversion nanoparticles have shown considerable promise in solid-state lasers, three-dimensional flat-panel displays, and solar cells and especially biological labeling and imaging. It has been demonstrated extensively that the epitaxial coating of upconversion (UC) core crystals with a lattice-matched shell can passivate the core and enhance the overall upconversion emission intensity of the materials. However, there are few papers that report a precise link between the shell thickness of core/shell nanoparticles and their optical properties. This is mainly because rare earth fluoride upconversion core/shell structures have only been inferred from indirect measurements to date. Herein, a reproducible method to grow a hexagonal NaGdF(4) shell on NaYF(4):Yb,Er nanocrystals with monolayer control thickness is demonstrated for the first time. On the basis of the cryo-transmission electron microscopy, rigorous electron energy loss spectroscopy, and high-angle annular dark-field investigations on the core/shell structure under a low operation temperature (96 K), direct imaging the NaYF(4):Yb,Er@NaGdF(4) nanocrystal core/shell structure at the subnanometer level was realized for the first time. Furthermore, a strong linear link between the NaGdF(4) shell thickness and the optical response of the hexagonal NaYF(4):Yb,Er@NaGdF(4) core/shell nanocrystals has been established. During the epitaxial growth of the NaGdF(4) shell layer by layer, surface defects of the nanocrystals can be gradually passivated by the homogeneous shell deposition process, which results in the obvious enhancement in overall UC emission intensity and lifetime and is more resistant to quenching by water molecules.

  14. NIF Double Shell outer/inner shell collision experiments

    Science.gov (United States)

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

    2017-10-01

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

  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. Windows Server 2016 -käyttöjärjestelmän merkittävimmät muutokset: Nano Server, Windows PowerShell 5.0, Windows Server Containers ja Hyper-V Containers

    OpenAIRE

    Aho, Mikael

    2016-01-01

    Valitsin opinnäytetyöaiheekseni Windows Server 2016 -käyttöjärjestelmän merkittävimmät muutokset. Aihe on ajankohtainen, koska Windows Server 2016 julkaistiin 26.-30.9.2016 Microsoft Ignite -konferenssissa. Työni tavoite on selvittää, mitä suuria muutoksia Windows Server 2016 -käyttöjärjestelmä sisältää ja miten ne toimivat, koska siinä on paljon suuria muutoksia, joiden oppiminen vie aikaa. Tämän takia halusin käydä läpi, mitä suuria muutoksia Windows Server 2016 sisältää, kuinka ne otetaan ...

  17. Reactions of atomic hydrogen with formic acid and carbon monoxide in solid parahydrogen I: Anomalous effect of temperature.

    Science.gov (United States)

    Paulson, Leif O; Mutunga, Fredrick M; Follett, Shelby E; Anderson, David T

    2014-09-11

    Low-temperature condensed phase reactions of atomic hydrogen with closed-shell molecules have been studied in rare gas matrices as a way to generate unstable chemical intermediates and to study tunneling-driven chemistry. Although parahydrogen (pH2) matrix isolation spectroscopy allows these reactions to be studied equally well, little is known about the analogous reactions conducted in a pH2 matrix host. In this study, we present Fourier transform infrared (FTIR) spectroscopic studies of the 193 nm photoinduced chemistry of formic acid (HCOOH) isolated in a pH2 matrix over the 1.7 to 4.3 K temperature range. Upon short-term irradiation the HCOOH readily undergoes photolysis to yield CO, CO2, HOCO, HCO and H atoms. Furthermore, after photolysis at 1.9 K tunneling reactions between migrating H atoms and trapped HCOOH and CO continue to produce HOCO and HCO, respectively. A series of postphotolysis kinetic experiments at 1.9 K with varying photolysis conditions and initial HCOOH concentrations show the growth of HOCO consistently follows single exponential (k = 4.9(7)x10(-3) min(-1)) growth kinetics. The HCO growth kinetics is more complex displaying single exponential growth under certain conditions, but also biexponential growth at elevated CO concentrations and longer photolysis exposures. By varying the temperature after photolysis, we show the H atom reaction kinetics qualitatively change at ∼2.7 K; the reaction that produces HOCO stops at higher temperatures and is only observed at low temperature. We rationalize these results using a kinetic mechanism that involves formation of an H···HCOOH prereactive complex. This study clearly identifies anomalous temperature effects in the reaction kinetics of H atoms with HCOOH and CO in solid pH2 that deserve further study and await full quantitative theoretical modeling.

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

    Science.gov (United States)

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

    2016-03-09

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

  19. Atomic arias

    Science.gov (United States)

    Crease, Robert P.

    2009-01-01

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

  20. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.

    1990-01-01

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

  1. 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...

  2. Shell nu zelf onder vuur!

    NARCIS (Netherlands)

    ir.ing Ruud Thelosen

    2011-01-01

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

  3. Temporal Structures in Shell Models

    OpenAIRE

    Okkels, Fridolin

    2000-01-01

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

  4. A direct interaction between the sigma-1 receptor and the hERG voltage-gated K+ channel revealed by atomic force microscopy and homogeneous time-resolved fluorescence (HTRF®).

    Science.gov (United States)

    Balasuriya, Dilshan; D'Sa, Lauren; Talker, Ronel; Dupuis, Elodie; Maurin, Fabrice; Martin, Patrick; Borgese, Franck; Soriani, Olivier; Edwardson, J Michael

    2014-11-14

    The sigma-1 receptor is an endoplasmic reticulum chaperone protein, widely expressed in central and peripheral tissues, which can translocate to the plasma membrane and modulate the function of various ion channels. The human ether-à-go-go-related gene encodes hERG, a cardiac voltage-gated K(+) channel that is abnormally expressed in many human cancers and is known to interact functionally with the sigma-1 receptor. Our aim was to investigate the nature of the interaction between the sigma-1 receptor and hERG. We show that the two proteins can be co-isolated from a detergent extract of stably transfected HEK-293 cells, consistent with a direct interaction between them. Atomic force microscopy imaging of the isolated protein confirmed the direct binding of the sigma-1 receptor to hERG monomers, dimers, and tetramers. hERG dimers and tetramers became both singly and doubly decorated by sigma-1 receptors; however, hERG monomers were only singly decorated. The distribution of angles between pairs of sigma-1 receptors bound to hERG tetramers had two peaks, at ∼90 and ∼180° in a ratio of ∼2:1, indicating that the sigma-1 receptor interacts with hERG with 4-fold symmetry. Homogeneous time-resolved fluorescence (HTRF®) allowed the detection of the interaction between the sigma-1 receptor and hERG within the plane of the plasma membrane. This interaction was resistant to sigma ligands, but was decreased in response to cholesterol depletion of the membrane. We suggest that the sigma-1 receptor may bind to hERG in the endoplasmic reticulum, aiding its assembly and trafficking to the plasma membrane. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  5. The specific edge effects of 2D core/shell model for spin-crossover nanoparticles

    Science.gov (United States)

    Muraoka, Azusa; Boukheddaden, Kamel; Linarès, Jorge; Varret, Francois

    2012-02-01

    We analyzed the size effect of spin-crossover nanoparticles at the edges of the 2D square lattices core/shell model, where the edge atoms are constrained to the high spin (HS) state. We performed MC simulations using the Ising-like Hamiltonian, [ H=-J∑(i,j)∑l i'=±1; j'=±1 S( i,j )S( i+i',j+j' ) +( δ2-kBT2g )∑(i,j)S( i,j ) ] The molar entropy change is δS 50J/K/mol, lng=δS/R 6 (R is the perfect gas constant), energy gap is δ=1300K. The HS fixed edges were based on the observation of an increasing residual HS fraction at low temperature upon particle size reduction. This specific boundary condition acts as a negative pressure which shifts downwards the equilibrium temperature. The interplay between the equilibrium temperature (=δ/kBlng) variation and the expected variation of the effective interactions in the system leads to a non-monotonous dependence of the hysteresis loop width upon the particle size. We described how the occurrence condition of the first-order transition has to be adapted to the nanoscale.

  6. Ludwig Boltzmann: Atomic genius

    Energy Technology Data Exchange (ETDEWEB)

    Cercignani, C. [Department of Mathematics, Politecnico di Milano (Italy)]. E-mail: carcer@mate.polimi.it

    2006-09-15

    On the centenary of the death of Ludwig Boltzmann, Carlo Cercignani examines the immense contributions of the man who pioneered our understanding of the atomic nature of matter. The man who first gave a convincing explanation of the irreversibility of the macroscopic world and the symmetry of the laws of physics was the Austrian physicist Ludwig Boltzmann, who tragically committed suicide 100 years ago this month. One of the key figures in the development of the atomic theory of matter, Boltzmann's fame will be forever linked to two fundamental contributions to science. The first was his interpretation of 'entropy' as a mathematically well-defined measure of the disorder of atoms. The second was his derivation of what is now known as the Boltzmann equation, which describes the statistical properties of a gas as made up of molecules. The equation, which described for the first time how a probability can evolve with time, allowed Boltzmann to explain why macroscopic phenomena are irreversible. The key point is that while microscopic objects like atoms can behave reversibly, we never see broken coffee cups reforming because it would involve a long series of highly improbable interactions - and not because it is forbidden by the laws of physics. (U.K.)

  7. Kβ/Kα X-ray intensity ratios for some elements in the atomic number range 28≤Z≤39 at 16.896 keV

    Directory of Open Access Journals (Sweden)

    R. Yılmaz

    2017-07-01

    Full Text Available The K shell intensity ratios (Kβ/Kα have been experimentally determined for some elements in the atomic number range 28 ≤ Z ≤ 39 by using secondary excitation method. K X-rays emitted by samples have been counted by a Si (Li detector with 160 eV resolutions at 5.9 keV. The measured values were compared with the theoretical and experimental values. In general, the values obtained are in good agreement with the calculated values.

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

    Science.gov (United States)

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

    2017-11-01

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

  9. Photoionization of open-shell Cl@C60

    Science.gov (United States)

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

    2017-04-01

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

  10. Atomic kinetics of a neon photoionized plasma experiment at Z

    Science.gov (United States)

    Mayes, D. C.; Mancini, R. C.; Schoenfeld, R. P.; Bailey, J. E.; Loisel, G. P.; Rochau, G. A.; ZAPP Collaboration

    2017-10-01

    We discuss an experimental effort to study the atomic kinetics in neon photoionized plasmas via K-shell line absorption spectroscopy. The experiment employs the intense x-ray flux emitted at the collapse of a Z-pinch to heat and backlight a photoionized plasma contained within a cm-scale gas cell placed at various distances from the Z-pinch and filled with neon gas pressures in the range from 3.5 to 120 Torr. The experimental platform affords an order of magnitude range in the ionization parameter characterizing the photoionized plasma from about 5 to 80 erg*cm/s. Thus, the experiment allows for the study of trends in ionization distribution as a function of the ionization parameter. An x-ray crystal spectrometer capable of collecting both time-integrated and time-gated data is used to collect absorption spectra. The spectra show line absorption by several ionization stages of neon, including Be-, Li-, He-, and H-like ions. Analysis of these spectra yields ion areal-densities and charge state distributions, which can be compared with results from atomic kinetics codes. In addition, the electron temperature is extracted from level population ratios of nearby energy levels in Li- and Be-like ions, which can be used to test heating models of photoionized plasmas. This work was sponsored in part by DOE Office of Science Grant DE-SC0014451, and the Z Facility Fundamental Science Program of SNL.

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

    KAUST Repository

    Xia, Chuan

    2015-01-14

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

  12. 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

  13. Optical cooling and trapping highly magnetic atoms: The benefits of a spontaneous spin polarization

    CERN Document Server

    Dreon, Davide; Bouazza, Chayma; Maineult, Wilfried; Dalibard, Jean; Nascimbene, Sylvain

    2016-01-01

    From the study of long-range-interacting systems to the simulation of gauge fields, open-shell Lanthanide atoms with their large magnetic moment and narrow optical transitions open novel directions in the field of ultracold quantum gases. As for other atomic species, the magneto-optical trap (MOT) is the working horse of experiments but its operation is challenging, due to the large electronic spin of the atoms. Here we present an experimental study of narrow-line Dysprosium MOTs. We show that the combination of radiation pressure and gravitational forces leads to a spontaneous polarization of the electronic spin. The spin composition is measured using a Stern-Gerlach separation of spin levels, revealing that the gas becomes almost fully spin-polarized for large laser frequency detunings. In this regime, we reach the optimal operation of the MOT, with samples of typically $3\\times 10^8$ atoms at a temperature of 20$\\,\\mu$K. The spin polarization reduces the complexity of the radiative cooling description, whi...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-03-30

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

  15. A high-resolution neutron powder diffraction investigation of galena (PbS) between 10 K and 350 K: no evidence for anomalies in the lattice parameters or atomic displacement parameters in galena or altaite (PbTe) at temperatures corresponding to the saturation of cation disorder.

    Science.gov (United States)

    Knight, K S

    2014-09-24

    The temperature dependences of the unit cell parameter and the atomic displacement parameters (adp) for galena (PbS) have been measured using high resolution neutron powder diffraction in the temperature interval 10-350 K. No evidence has been found for the anomalous behaviour recently reported in a total scattering study of galena, in which the temperature variation of both the unit cell and the adp for lead are reported to undergo a dramatic reduction at a temperature of ~250 K. The linear thermal expansion coefficient calculated from the powder diffraction study is found to be in excellent agreement with literature values over the entire temperature interval studied, and approximately 25% greater at room temperature than that determined by analysis of the pair distribution function (pdf) derived from the total scattering data. This discrepancy is shown to be attributable to a linear, temperature-dependent offset from the published temperatures in the total scattering study, and has arisen from the sample temperature being significantly lower than the experimental set point temperature. Applying this correction to the adps of the lead cation removes the anomalous temperature dependence and shows the pdf results are in agreement with the neutron powder diffraction results. Application of the identical temperature offsets to the results of the pdf analysis of data collected on altaite (PbTe) eliminates the anomalous behaviour in the unit cell and the adp for lead, bringing them in line with literature values. Contrary to the conclusions of the pdf analysis, adps for the lead cation in both galena and altaite can be described in terms of Debye-like behaviour and are consistent with the partial phonon density of states.

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

    Science.gov (United States)

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

    2007-06-01

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

  17. Relative rate study of the kinetics, mechanism, and thermodynamics of the reaction of chlorine atoms with CF3CF═CH2 (HFO-1234yf) in 650-950 Torr of N2 or N2/O2 diluent at 296-462 K.

    Science.gov (United States)

    Kaiser, E W; Wallington, T J

    2012-06-21

    The rate constant of the reaction Cl + CF(3)CF═CH(2) (k(1)) has been measured relative to several reference species using the relative rate technique with either gas chromatographic analysis with flame-ionization detection (GC/FID) or Fourier transform infrared (FTIR) analysis. Cl atoms were generated by UV irradiation of Cl(2)/CF(3)CF═CH(2)/reference/N(2)/O(2) mixtures. At 300-400 K in the presence of >20 Torr O(2), k(1) = 1.2 × 10(-11) e((+1100/RT)) cm(3) molecule(-1) s(-1). In N(2) diluent, k(1) has a sharp negative temperature coefficient resulting from the relatively small exothermicity of the following reactions: (1a) Cl + CF(3)CF═CH(2) ↔ CF(3)CFClCH(2)(•); (1b) Cl + CF(3)CF═CH(2) ↔ CF(3)CF(•)CH(2)Cl (reaction 1), which were determined in these experiments to be ∼16.5 (±2.0) kcal mol(-1). This low exothermicity causes reaction 1 to become significantly reversible even at ambient temperature. The rate constant ratio for the reaction of the chloroalkyl radicals formed in reaction 1 with Cl(2) (k(2)) or O(2) (k(3)) was measured to be k(2)/k(3) = 0.4 e(-(3000/RT)) for 300-400 K. At 300 K, k(2)/k(3) = 0.0026. The reversibility of reaction 1 combined with the small value of k(2)/k(3) leads to a sensitive dependence of k(1) on the O(2) concentration. Products measured by GC/FID as a function of temperature are CF(3)CFClCH(2)Cl, CF(3)COF, and CH(2)Cl(2). The mechanism leading to these products is discussed. The rate constant for the reaction Cl + CF(3)CFClCH(2)Cl (k(11)) was measured as a function of temperature (300-462 K) at 760 Torr to be k(11) = 8.2 × 10(-12) e(-(4065/RT)) cm(3) molecule(-1) s(-1). Rate constants relative to CH(4) for the reactions of Cl with the reference compounds CH(3)Cl, CH(2)Cl(2), and CHCl(3) were measured at 470 K to resolve a literature discrepancy. (R = 1.986 cal K(-1) mol(-1)).

  18. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

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

    2005-01-01

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

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

    Science.gov (United States)

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

    2016-12-14

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

  20. 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.

  1. Selection of influential spreaders in complex networks using Pareto Shell decomposition

    Science.gov (United States)

    Yeruva, Sujatha; Devi, T.; Reddy, Y. Samtha

    2016-06-01

    The selection of prominent nodes in order to maximize the ability of spreading is very crucial in complex networks. The well known K-Shell method, which comprises nodes located at the core of a network, is better than the degree centrality and betweenness centrality, in capturing the spreading ability for a single origin spreader. As per the multiple origin spreaders, the K-Shell method fails to yield similar results when compared to the degree centrality. Current research proposes a Pareto-Shell Decomposition. It employs Pareto front function. It's Pareto optimal set comprises non-dominated spreads, with the ratio of high out-degree to in-degree and high in-degree. Pareto-Shell decomposition outperforms the K-Shell and the degree centrality for multiple origin spreaders, with the simulation of epidemic spreading process.

  2. Double-shell target fabrication workshop-2016 report

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-01-10

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

  3. Multi-Shell Shell Model for Heavy Nuclei

    OpenAIRE

    Sun, Yang; Wu, Cheng-Li

    2003-01-01

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

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

    Science.gov (United States)

    Slimani, Ahmed; Khemakhem, Hamadi; Boukheddaden, Kamel

    2017-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-11-01

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

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

    DEFF Research Database (Denmark)

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

    1969-01-01

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

  7. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

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

  8. Wrinkling of Pressurized Elastic Shells

    Science.gov (United States)

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

    2011-10-01

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

  9. Wrinkling of Pressurized Elastic Shells

    KAUST Repository

    Vella, Dominic

    2011-10-01

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

  10. Probing superheavy quasimolecular collisions with incoming inner shell vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Verma, P. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany) and JMI University, New Delhi (India) and Vaish College, Rohtak (India)]. E-mail: P.Verma@gsi.de; Mokler, P.H. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); J. Liebig University, Giessen (Germany); Braeuning-Demian, A. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Braeuning, H. [J. Liebig University, Giessen (Germany); Kozhuharov, C. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Bosch, F. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Liesen, D. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Hagmann, S. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); J.W. Goethe University, Frankfurt (Germany); Stoehlker, Th. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Stachura, Z. [Institute for Nuclear Physics, Cracow (Poland); Banas, D. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Swietokrzyska Academy, Kielce (Poland); Orsic-Muthig, A. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Schoeffler, M. [J.W. Goethe University, Frankfurt (Germany); Sierpowski, D. [Jagellonian University, Cracow (Poland); Spillmann, U. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Tashenov, S. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Toleikis, S. [Atomphysik, GSI, Planckstrasse 1, D-64291 Darmstadt (Germany); Wahab, M.A. [JMI University, New Delhi (India)

    2006-04-15

    With the advanced accelerator technologies used at the SIS/ESR heavy ion facility at GSI, the highest charge states (bare, H-like, etc.) even for the heaviest ions can be provided for experiments at moderate collision velocities (v {sub ion} < v {sub K}). Hence, inner shell vacancies can be provided prior to collisions for the innermost shells of transiently formed superheavy quasimolecules. However, projectile K-vacancies may be destroyed while penetrating solids. The goal of the present investigation is to establish how far at relatively low collision velocities, high incoming ionic charge states do survive in thin solid targets and hence, how far thin solid targets can be utilized for studying superheavy quasimolecules with well-defined, open, incoming, inner shell vacancy channels. The dependence of quasimolecular collisions on projectile charge state (q) and target thickness (t) is studied in very thin Au solid targets for 69 MeV/u U {sup q+} ions (73 {<=} q {<=} 91)

  11. Photoassociation of cold metastable helium atoms

    NARCIS (Netherlands)

    Woestenenk, G.R.

    2001-01-01

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

  12. 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....

  13. Stability Landscape of Shell Buckling

    Science.gov (United States)

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

    2017-12-01

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

  14. Automated shell theory for rotating structures (ASTROS)

    Science.gov (United States)

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

    1971-01-01

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

  15. Hypernuclear structure using the (. pi. ,K)

    Energy Technology Data Exchange (ETDEWEB)

    Millener, D.J.

    1990-11-01

    The result and theoretical interpretation of ({pi}{sup +},K{sup +}) experiments carried out at Brookhaven are summarized. Shell-model calculations are used to illustrate the precise spectroscopic studies of {Lambda} hypernuclei which could be carried out using the intense pion beams and good energy resolution for ({pi}{sup +},K{sup +}), ({pi}{sup +},K{sup +}{gamma}) and possibly ({pi}{sup {minus}},K{sup 0}) reactions at PILAC. 24 refs., 4 figs.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-03-12

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

  17. Unified description of pf-shell nuclei by the Monte Carlo shell model calculations

    Energy Technology Data Exchange (ETDEWEB)

    Mizusaki, Takahiro; Otsuka, Takaharu [Tokyo Univ. (Japan). Dept. of Physics; Honma, Michio

    1998-03-01

    The attempts to solve shell model by new methods are briefed. The shell model calculation by quantum Monte Carlo diagonalization which was proposed by the authors is a more practical method, and it became to be known that it can solve the problem with sufficiently good accuracy. As to the treatment of angular momentum, in the method of the authors, deformed Slater determinant is used as the basis, therefore, for making angular momentum into the peculiar state, projected operator is used. The space determined dynamically is treated mainly stochastically, and the energy of the multibody by the basis formed as the result is evaluated and selectively adopted. The symmetry is discussed, and the method of decomposing shell model space into dynamically determined space and the product of spin and isospin spaces was devised. The calculation processes are shown with the example of {sup 50}Mn nuclei. The calculation of the level structure of {sup 48}Cr with known exact energy can be done with the accuracy of peculiar absolute energy value within 200 keV. {sup 56}Ni nuclei are the self-conjugate nuclei of Z=N=28. The results of the shell model calculation of {sup 56}Ni nucleus structure by using the interactions of nuclear models are reported. (K.I.)

  18. Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules

    CERN Document Server

    Isaev, T A

    2012-01-01

    The scaling of nuclear spin-dependent parity violating effects with increasing nuclear charge $Z$ is discussed in two series of isovalent open-shell diatomic molecules. The parameter $W_\\mathrm{a}$ characterising the strength of parity violation in diatomic molecules is calculated in the framework of the zeroth-order regular approximation (ZORA) and found to be in good agreement with the $R(Z) Z^k$ scaling law derived for atoms in which $R(Z)$ represents a relativistic enhancement factor. The influence of electron correlation is studied on the molecular level with spin-polarisation effects being conveniently accounted for by a previously established approximate relation between the hyperfine coupling tensor and $W_\\mathrm{a}$. For high accuracy predictions of parity violating effects in radium fluoride the necessity for systematically improvable correlation calculations is emphasised.

  19. A single-mode external cavity diode laser using an intra-cavity atomic Faraday filter with short-term linewidth $<400$ kHz and long-term stability of $<1$ MHz

    CERN Document Server

    Keaveney, James; Adams, Charles S; Hughes, Ifan G

    2016-01-01

    We report on the development of a diode laser system - the `Faraday laser' - using an atomic Faraday filter as the frequency-selective element. In contrast to typical external-cavity diode laser systems which offer tunable output frequency but require additional control systems in order to achieve a stable output frequency, our system only lases at a single frequency, set by the peak transmission frequency of the internal atomic Farady filter. Our system has both short-term and long-term stability of less than 1~MHz, which is less than the natural linewidth of alkali-atomic D-lines, making similar systems suitable for use as a `turn-key' solution for laser cooling experiments.

  20. Measurements of egg shell plasma parameters using laser-induced ...

    Indian Academy of Sciences (India)

    Measurements of 1064 nm laser-induced egg shell plasma parameters are presented in this paper. Of special interests were its elemental identification and the determination of spectroscopic temperature and electron density. The electron temperature of 5956 K was inferred using an improved iterative Boltzmann plot ...

  1. Lattice mechanical properties of some fcc f-shell metals

    Indian Academy of Sciences (India)

    Lattice mechanical properties of some fcc f-shell metals. J K BARIA and A R JANI. Department of Physics, Sardar Patel University, Vallabh Vidyanagar 388 120, India. Email: jay baria@yahoo.com. MS received 10 April 2002; revised 25 October 2002; accepted 26 November 2002. Abstract. A pseudopotential depending on ...

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

    African Journals Online (AJOL)

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

  3. Deformed shell model studies of spectroscopic properties of Zn and ...

    Indian Academy of Sciences (India)

    2014-04-05

    Apr 5, 2014 ... pp. 757–767. Deformed shell model studies of spectroscopic properties of. 64. Zn and. 64. Ni and the positron double beta decay of. 64. Zn. R SAHU1,∗ and V K B KOTA2,3. 1Physics Department, Berhampur University, Berhampur 760 007, India. 2Physical Research Laboratory, Ahmedabad 380 009, India.

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

    Energy Technology Data Exchange (ETDEWEB)

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

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

    Science.gov (United States)

    Magwene, Paul M; Socha, John J

    2013-02-01

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

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

    OpenAIRE

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

    2015-01-01

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

  7. "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…

  8. On the Lippmann-Schwinger equation off the energy shell

    Energy Technology Data Exchange (ETDEWEB)

    Talukdar, B.; Laha, U.; Sett, G.C.

    1986-01-01

    In a recent paper Dolinszky (1984 J. Phys. G: Nucl. Phys. 10,1639) observed that off-shell T matrix elements can be expressed in terms of simple quadratures involving solutions of the radial Schroedinger equation. It is pointed out that this is not true in general for the K matrix. The K matrix equation for separable non-local potentials, however, can be treated by an approach similar to that of Dolinszky. (author).

  9. Gravity balanced compliant shell mechanisms

    NARCIS (Netherlands)

    Radaelli, G.; Herder, J.L.

    2017-01-01

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

  10. Kinetics of the gas-phase reactions of chlorine atoms with CH2F2, CH3CCl3 and CF3CFH2 over the temperature range 253 – 551 K

    DEFF Research Database (Denmark)

    Nilsson, Elna Johanna Kristina; Johnson, Matthew Stanley; Nielsen, Ole John

    2009-01-01

    Relative rate techniques were used to study the title reactions in 930–1200 mbar of N2 diluent. The reaction rate coefficients measured in the present work are summarized by the expressions k(Cl+CH2F2) = 1.19×10-17 T 2 exp(-1023/T ) cm3 molecule-1 s-1 (253– 553 K), k(Cl+CH3CCl3) = 2.41×10-12 exp(...

  11. Core-shell nanostructured catalysts.

    Science.gov (United States)

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

    2013-08-20

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

  12. Applications of beam-foil spectroscopy to atomic collisions in solids

    Science.gov (United States)

    Sellin, I. A.

    1976-01-01

    Some selected papers presented at the Fourth International Conference on Beam-Foil Spectroscopy, whose results are of particular pertinence to ionic collision phenomena in solids, are reviewed. The topics discussed include solid target effects and means of surmounting them in the measurement of excited projectile ion lifetimes for low-energy heavy element ions; the electron emission accompanying the passage of heavy particles through solid targets; the collision broadening of X rays emitted from 100 keV ions moving in solids; residual K-shell excitation in chlorine ions penetrating carbon; comparison between 40 MeV Si on gaseous SiH4 targets at 300 mtorr and 40 MeV Si on Al; and the emergent surface interaction in beam-foil spectroscopy. A distinct overlap of interests between the sciences of beam-foil spectroscopy and atomic collisions in solids is pointed out.

  13. Feshbach resonances in ultracold {sup 39}K

    Energy Technology Data Exchange (ETDEWEB)

    D' Errico, Chiara [LENS and Dipartimento di Fisica, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Zaccanti, Matteo [LENS and Dipartimento di Fisica, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Fattori, Marco [Museo Storico della Fisica e Centro Studi e Ricerche ' Enrico Fermi' , Compendio del Viminale, 00184 Roma (Italy); Roati, Giacomo [LENS and Dipartimento di Fisica, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Inguscio, Massimo [LENS and Dipartimento di Fisica, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Modugno, Giovanni [LENS and Dipartimento di Fisica, Universita di Firenze, Via Nello Carrara 1, 50019 Sesto Fiorentino (Italy); Simoni, Andrea [Laboratoire de Physique des Atomes, Lasers, Molecules et Surfaces, UMR 6627 du CNRS and Universite de Rennes, 35042 Rennes Cedex (France)

    2007-07-15

    We discover several magnetic Feshbach resonances in collisions of ultracold {sup 39}K atoms, by studying atom losses and molecule formation. Accurate determination of the magnetic-field resonance locations allows us to optimize a quantum collision model for potassium isotopes. We employ the model to predict the magnetic-field dependence of scattering lengths and of near-threshold molecular levels. Our findings will be useful to plan future experiments on ultracold {sup 39}K atoms and molecules.

  14. 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)

  15. Composite shell spacecraft seat

    Science.gov (United States)

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

    2008-01-01

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

  16. Structure and properties of atomic nanoclusters

    CERN Document Server

    Alonso, Julio A

    2005-01-01

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

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

    Science.gov (United States)

    Kotochigova, Svetlana

    2014-09-01

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

  18. Teach us atom structure

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Suh Yeon

    2006-08-15

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

  19. Playing pinball with atoms.

    Science.gov (United States)

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

    2009-05-01

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

  20. Observation of dynamic atom-atom correlation in liquid helium in real space

    OpenAIRE

    Dmowski, W.; Diallo, S. O.; Lokshin, K.; Ehlers, G.; Ferr?, G.; Boronat, J.; Egami, T.

    2017-01-01

    Liquid He-4 becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that He-4 atoms in the Bose-Einstein condens...

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

    Directory of Open Access Journals (Sweden)

    Anggareza Adhitiya

    2013-12-01

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

  2. Ex Vacuo Atom Chip Bose-Einstein Condensate (BEC)

    CERN Document Server

    Squires, Matthew B; Kasch, Brian; Stickney, James A; Erickson, Christopher J; Crow, Jonathan A R; Carlson, Evan J; Burke, John H

    2016-01-01

    Ex vacuo atom chips, used in conjunction with a custom thin walled vacuum chamber, have enabled the rapid replacement of atom chips for magnetically trapped cold atom experiments. Atoms were trapped in $>2$ kHz magnetic traps created using high power atom chips. The thin walled vacuum chamber allowed the atoms to be trapped $\\lesssim1$ mm from the atom chip conductors which were located outside of the vacuum system. Placing the atom chip outside of the vacuum simplified the electrical connections and improved thermal management. Using a multi-lead Z-wire chip design, a Bose-Einstein condensate was produced with an external atom chip. Vacuum and optical conditions were maintained while replacing the Z-wire chip with a newly designed cross-wire chip. The atom chips were exchanged and an initial magnetic trap was achieved in less than three hours.

  3. Radioactive ions and atoms in superfluid helium

    NARCIS (Netherlands)

    Dendooven, P.G.; Purushothaman, S.; Gloos, K.; Aysto, J.; Takahashi, N.; Huang, W.; Harissopulos, S; Demetriou, P; Julin, R

    2006-01-01

    We are investigating the use of superfluid helium as a medium to handle and manipulate radioactive ions and atoms. Preliminary results on the extraction of positive ions from superfluid helium at temperatures close to 1 K are described. Increasing the electric field up to 1.2 kV/cm did not improve

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

    Science.gov (United States)

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

    2017-12-15

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

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

    Science.gov (United States)

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

    2017-12-01

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

  6. 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.

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

    Science.gov (United States)

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

    2009-01-06

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

  8. FABRICATION AND CHARACTERIZATION OF CARBON COMPOSITE FROM COCONUT SHELL CARBON

    Directory of Open Access Journals (Sweden)

    Meytij Jeanne Rampe

    2011-11-01

    Full Text Available Structure and chemical composition of coconut shell carbon with polyvinyl alcohol (PVA as the stimulant through the observation of TG-DTA, SEM-EDS and FTIR has been studied. The process was carried out by calcining coconut shell charcoal at the temperature of 873 and 1023 K under Nitrogen flow, then mixed with polyvinyl alcohol (PVA under composition of 2.5 to 7.5% (wt in water solvent. The growing of carbon composite structure was observed by heating the samples in Argon gas of 1673 K, the rate of temperature was 10 K/min in 3 h. The products were then analyzed by TG-DTA, SEM-EDS, FTIR and XRD. The result showed that the products were in uniform particle sizes of micrometer dimensions and spherical particles shape, with average content of C element was 97.44% (wt, aromatic character and semi-crystalline structure.

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

    Science.gov (United States)

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

    2012-06-04

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

  10. X-ray fluorescence cross sections for K and L x rays of the elements

    Energy Technology Data Exchange (ETDEWEB)

    Krause, M.O.; Nestor, C.W. Jr.; Sparks, C.J. Jr.; Ricci, E.

    1978-06-01

    X-ray fluorescence cross sections are calculated for the major x rays of the K series 5 less than or equal to Z less than or equal to 101, and the three L series 12 less than or equal to Z less than or equal to 101 in the energy range 1 to 200 keV. This calculation uses Scofield's theoretical partical photoionization cross sections, Krause's evaluation of fluorescence and Coster-Kronig yields, and Scofield's theoretical radiative rates. Values are presented in table and graph format, and an estimate of their accuracy is made. The following x rays are considered: K..cap alpha../sub 1/, K..cap alpha../sub 1/,/sub 2/, K..beta../sub 1/, K..beta../sub 1/,/sub 3/, L..cap alpha../sub 1/, L..cap alpha../sub 1/,/sub 2/, L..beta../sub 1/, L..beta../sub 2/,/sub 15/, L..beta../sub 3/, Ll, L..gamma../sub 1/, L..gamma../sub 4/, and L/sub 1/ ..-->.. L/sub 2/,/sub 3/. For use in x-ray fluorescence analysis, K..cap alpha.. and L..cap alpha.. fluorescence cross sections are presented at specific energies: TiK identical with 4.55 keV, CrK identical with 5.46 keV, CoK identical with 7.00 keV, CuK identical with 8.13 keV, MoK..cap alpha.. identical with 17.44 keV, AgK identical with 22.5 keV, DyK identical with 47.0 keV, and /sup 241/Am identical with 59.54 keV. Supplementary material includes fluorescence and Coster--Kronig yields, fractional radiative rates, fractional fluorescence yields, total L-shell fluorescence cross sections, fluorescence and Coster-Kronig yields in condensed matter, effective fluorescence yields, average L-shell fluorescence yield, L-subshell photoionization cross section ratios, and conversion factors from barns per atom to square centimeters per gram.

  11. Discovery of Molecular Gas Shells around the Unusual Galaxy Centaurus A

    Science.gov (United States)

    2000-03-01

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

  12. Collisional Cooling of Light Ions by Cotrapped Heavy Atoms.

    Science.gov (United States)

    Dutta, Sourav; Sawant, Rahul; Rangwala, S A

    2017-03-17

    We experimentally demonstrate cooling of trapped ions by collisions with cotrapped, higher-mass neutral atoms. It is shown that the lighter ^{39}K^{+} ions, created by ionizing ^{39}K atoms in a magneto-optical trap (MOT), when trapped in an ion trap and subsequently allowed to cool by collisions with ultracold, heavier ^{85}Rb atoms in a MOT, exhibit a longer trap lifetime than without the localized ^{85}Rb MOT atoms. A similar cooling of trapped ^{85}Rb^{+} ions by ultracold ^{133}Cs atoms in a MOT is also demonstrated in a different experimental configuration to validate this mechanism of ion cooling by localized and centered ultracold neutral atoms. Our results suggest that the cooling of ions by localized cold atoms holds for any mass ratio, thereby enabling studies on a wider class of atom-ion systems irrespective of their masses.

  13. Control the fear atomic

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-04-15

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

  14. Capsule shells adulterated with tadalafil.

    Science.gov (United States)

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

    2012-01-10

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

  15. 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.

  16. The superstable 25 kDa monolayer protected silver nanoparticle: measurements and interpretation as an icosahedral Ag152(SCH2CH2Ph)60 cluster.

    Science.gov (United States)

    Chakraborty, Indranath; Govindarajan, Anuradha; Erusappan, Jayanthi; Ghosh, Atanu; Pradeep, T; Yoon, Bokwon; Whetten, Robert L; Landman, Uzi

    2012-11-14

    A cluster obtained in high yield from the reduction of a silver-thiolate precursor, Ag-SCH(2)CH(2)Ph, exhibited a single sharp peak near 25 kDa in the matrix-assisted laser desorption mass spectrum (MALDI MS) and a well-defined metal core of ~2 nm measured with transmission electron microscopy (TEM). The cluster yields a single fraction in high-performance liquid chromatography (HPLC). Increased laser fluence fragments the cluster until a new peak near 19 kDa predominates, suggesting that the parent cluster-Ag(152)(SCH(2)CH(2)Ph)(60)-evolves into a stable inorganic core-Ag(152)S(60). Exploiting combined insights from investigations of clusters and surface science, a core-shell structure model was developed, with a 92-atom silver core having icosahedral-dodecahedral symmetry and an encapsulating protective shell containing 60 Ag atoms and 60 thiolates arranged in a network of six-membered rings resembling the geometry found in self-assembled monolayers on Ag(111). The structure is in agreement with small-angle X-ray scattering (SAXS) data. The protective layer encapsulating this silver cluster may be the smallest known three-dimensional self-assembled monolayer. First-principles electronic structure calculations show, for the geometry-optimized structure, the development of a ~0.4 eV energy gap between the highest-occupied and lowest-unoccupied states, originating from a superatom 90-electron shell-closure and conferring stability to the cluster. The optical absorption spectrum of the cluster resembles that of plasmonic silver nanoparticles with a broad single feature peaking at 460 nm, but the luminescence spectrum shows two maxima with one attributed to the ligated shell and the other to the core.

  17. Stellar populations of shell galaxies

    Science.gov (United States)

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

    2017-12-01

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

  18. 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.

  19. K Agashe

    Indian Academy of Sciences (India)

    K Agashe. Articles written in Pramana – Journal of Physics. Volume 60 Issue 2 February 2003 pp 383-394. Working group report: Collider and B physics · Amitava Datta K Sridhar K Abe K Agashe R Aleksan B C Allanach S Chakraborti D Choudhury Asesh Krishna Datta Anindya Datta A Djouadi D Ghosh R M Godbole M ...

  20. Experimental Damage Identification of a Model Reticulated Shell

    Directory of Open Access Journals (Sweden)

    Jing Xu

    2017-04-01

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

  1. 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.

  2. Atomic coordination reflects peptide immunogenicity

    Directory of Open Access Journals (Sweden)

    Georgios S.E. Antipas

    2016-01-01

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

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

    Science.gov (United States)

    Edri, Eran; Aloni, Shaul; Frei, Heinz

    2018-01-23

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

  4. 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.

  5. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-09-01

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

  6. 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...

  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. Pd@Pt Core–Shell Nanoparticles with Branched Dandelion-like Morphology as Highly Efficient Catalysts for Olefin Reduction

    Science.gov (United States)

    A facile synthesis based on the addition of ascorbic acid to a mixture of Na2PdCl4, K2PtCl6, and Pluronic P123 results in highly branched core–shell nanoparticles (NPs) with a micro–mesoporous dandelion-like morphology comprising Pd core and Pt shell. The slow reduction kinetics ...

  9. Electronic shell and supershell structure in graphene flakes

    CERN Document Server

    Manninen, M; Akola, J

    2008-01-01

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

  10. Structural and Magnetic Response in Bimetallic Core/Shell Magnetic Nanoparticles.

    Science.gov (United States)

    Nairan, Adeela; Khan, Usman; Iqbal, Munawar; Khan, Maaz; Javed, Khalid; Riaz, Saira; Naseem, Shahzad; Han, Xiufeng

    2016-04-14

    Bimagnetic monodisperse CoFe₂O₄/Fe₃O₄ core/shell nanoparticles have been prepared by solution evaporation route. To demonstrate preferential coating of iron oxide onto the surface of ferrite nanoparticles X-ray diffraction (XRD), High resolution transmission electron microscope (HR-TEM) and Raman spectroscopy have been performed. XRD analysis using Rietveld refinement technique confirms single phase nanoparticles with average seed size of about 18 nm and thickness of shell is 3 nm, which corroborates with transmission electron microscopy (TEM) analysis. Low temperature magnetic hysteresis loops showed interesting behavior. We have observed large coercivity 15.8 kOe at T = 5 K, whereas maximum saturation magnetization (125 emu/g) is attained at T = 100 K for CoFe₂O₄/Fe₃O₄ core/shell nanoparticles. Saturation magnetization decreases due to structural distortions at the surface of shell below 100 K. Zero field cooled (ZFC) and Field cooled (FC) plots show that synthesized nanoparticles are ferromagnetic till room temperature and it has been noticed that core/shell sample possess high blocking temperature than Cobalt Ferrite. Results indicate that presence of iron oxide shell significantly increases magnetic parameters as compared to the simple cobalt ferrite.

  11. Structural and Magnetic Response in Bimetallic Core/Shell Magnetic Nanoparticles

    Science.gov (United States)

    Nairan, Adeela; Khan, Usman; Iqbal, Munawar; Khan, Maaz; Javed, Khalid; Riaz, Saira; Naseem, Shahzad; Han, Xiufeng

    2016-01-01

    Bimagnetic monodisperse CoFe2O4/Fe3O4 core/shell nanoparticles have been prepared by solution evaporation route. To demonstrate preferential coating of iron oxide onto the surface of ferrite nanoparticles X-ray diffraction (XRD), High resolution transmission electron microscope (HR-TEM) and Raman spectroscopy have been performed. XRD analysis using Rietveld refinement technique confirms single phase nanoparticles with average seed size of about 18 nm and thickness of shell is 3 nm, which corroborates with transmission electron microscopy (TEM) analysis. Low temperature magnetic hysteresis loops showed interesting behavior. We have observed large coercivity 15.8 kOe at T = 5 K, whereas maximum saturation magnetization (125 emu/g) is attained at T = 100 K for CoFe2O4/Fe3O4 core/shell nanoparticles. Saturation magnetization decreases due to structural distortions at the surface of shell below 100 K. Zero field cooled (ZFC) and Field cooled (FC) plots show that synthesized nanoparticles are ferromagnetic till room temperature and it has been noticed that core/shell sample possess high blocking temperature than Cobalt Ferrite. Results indicate that presence of iron oxide shell significantly increases magnetic parameters as compared to the simple cobalt ferrite. PMID:28335200

  12. 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.

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

    Science.gov (United States)

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

    1982-01-01

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

  14. 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.

  15. Coulomb excitation of {sup 48}K

    Energy Technology Data Exchange (ETDEWEB)

    Siebeck, Burkhard; Blazhev, Andrey; Geibel, Kerstin; Hess, Herbert; Reiter, Peter; Seidlitz, Michael; Schneiders, David; Steinbach, Tim; Warr, Nigel [IKP, Universitaet zu Koeln (Germany); Bauer, Christopher [IKP, TU Darmstadt (Germany); Witte, Hilde de [KU Leuven (Belgium); Klintefjord, Malin [University of Oslo (Norway); Pakarinen, Janne [University of Jyvaeskylae (Finland); Rapisarda, Elisa [KU Leuven (Belgium); CERN, Genf (Switzerland); Scheck, Marcus [University of the West of Scotland, Paisley (United Kingdom); Voulot, Didier; Wenander, Frederik [CERN, Genf (Switzerland)

    2016-07-01

    Potassium isotopes in the direct vicinity of doubly-magic nuclei are of great interest and subject of recent shell model calculations. These show that the ground states of most K isotopes are dominated by a π0p0h configuration, while {sup 47}K and {sup 49}K have a major π2p2h contribution. However, the situation is not clear for the odd-odd isotope {sup 48}K, which shows a mixture between 0p0h and 2p2h. In order to study the coupling between the νp{sub 3/2}-shell and the πs{sub 1/2}-, πd{sub 3/2}-shells, transition matrix elements are deduced from a Coulomb excitation experiment performed with MINIBALL at REX-ISOLDE. A {sup 104}Pd target was irradiated by a radioactive {sup 48}K beam. γ rays of both target and projectile deexcitation have been observed. Those yields, together with available spectroscopic data, allow the detemination of transition matrix elements with GOSIA2. The new findings are compared to shell model calculations.

  16. Improving dielectric properties of BaTiO3/poly(vinylidene fluoride) composites by employing core-shell structured BaTiO3@Poly(methylmethacrylate) and BaTiO3@Poly(trifluoroethyl methacrylate) nanoparticles

    Science.gov (United States)

    Zhang, Xianhong; Zhao, Sidi; Wang, Fang; Ma, Yuhong; Wang, Li; Chen, Dong; Zhao, Changwen; Yang, Wantai

    2017-05-01

    Polymer based dielectric composites were fabricated through incorporation of core-shell structured BaTiO3 (BT) nanoparticles into PVDF matrix by means of solution blending. Core-shell structured BT nanoparticles with different shell composition and shell thickness were prepared by grafting methacrylate monomer (MMA or TFEMA) onto the surface of BT nanoparticles via surface initiated atom transfer radical polymerization (SI-ATRP). The content of the grafted polymer and the micro-morphology of the core-shell structured BT nanoparticles were investigated by thermo gravimetric analyses (TGA) and transmission electron microscopy (TEM), respectively. The dielectric properties were measured by broadband dielectric spectroscopy. The results showed that high dielectric constant and low dielectric loss are successfully realized in the polymer based composites. Moreover, the type of the grafted polymer and its content had different effect on the dielectric constant. In detail, the attenuation of dielectric constant was 16.6% for BT@PMMA1/PVDF and 10.7% for BT@PMMA2/PVDF composite in the range of 10 Hz to 100 kHz, in which the grafted content of PMMA was 5.5% and 8.0%, respectively. However, the attenuation of dielectric constant was 5.5% for BT@PTFEMA1/PVDF and 4.0% for BT@PTFEMA2/PVDF composite, in which the grafted content of PTFEMA was 1.5% and 2.0%, respectively. These attractive features of BT@PTFEMA/PVDF composites suggested that dielectric ceramic fillers modified with fluorinated polymer can be used to prepare high performance composites, especially those with low dielectric loss and high dielectric constant.

  17. Fast sequential multi-element determination of Ca, Mg, K, Cu, Fe, Mn and Zn for foliar diagnosis using high-resolution continuum source flame atomic absorption spectrometry: Feasibility of secondary lines, side pixel registration and least-squares background correction

    Science.gov (United States)

    de Oliveira, Silvana Ruella; Raposo, Jorge Luiz, Jr.; Gomes Neto, José Anchieta

    2009-06-01

    The fast sequential multi-element determination of Ca, Mg, K, Cu, Fe, Mn and Zn in plant tissues by high-resolution continuum source flame atomic absorption spectrometry is proposed. For this, the main lines for Cu (324.754 nm), Fe (248.327 nm), Mn (279.482 nm) and Zn (213.857 nm) were selected, and the secondary lines for Ca (239.856 nm), Mg (202.582 nm) and K (404.414 nm) were evaluated. The side pixel registration approach was studied to reduce sensitivity and extend the linear working range for Mg by measuring at wings (202.576 nm; 202.577 nm; 202.578 nm; 202.580 nm; 202.585 nm; 202.586 nm; 202.587 nm; 202.588 nm) of the secondary line. The interference caused by NO bands on Zn at 213.857 nm was removed using the least-squares background correction. Using the main lines for Cu, Fe, Mn and Zn, secondary lines for Ca and K, and line wing at 202.588 nm for Mg, and 5 mL min - 1 sample flow-rate, calibration curves in the 0.1-0.5 mg L - 1 Cu, 0.5-4.0 mg L - 1 Fe, 0.5-4.0 mg L - 1 Mn, 0.2-1.0 mg L - 1 Zn, 10.0-100.0 mg L - 1 Ca, 5.0-40.0 mg L - 1 Mg and 50.0-250.0 mg L - 1 K ranges were consistently obtained. Accuracy and precision were evaluated after analysis of five plant standard reference materials. Results were in agreement at a 95% confidence level (paired t-test) with certified values. The proposed method was applied to digests of sugar-cane leaves and results were close to those obtained by line-source flame atomic absorption spectrometry. Recoveries of Ca, Mg, K, Cu, Fe, Mn and Zn in the 89-103%, 84-107%, 87-103%, 85-105%, 92-106%, 91-114%, 96-114% intervals, respectively, were obtained. The limits of detection were 0.6 mg L - 1 Ca, 0.4 mg L - 1 Mg, 0.4 mg L - 1 K, 7.7 µg L - 1 Cu, 7.7 µg L - 1 Fe, 1.5 µg L - 1 Mn and 5.9 µg L - 1 Zn.

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

    Science.gov (United States)

    Baldwin, Robert L.

    2014-01-01

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

  19. Vitamin K

    Science.gov (United States)

    Vitamins are substances that your body needs to grow and develop normally. Vitamin K helps your body by making proteins for ... blood clotting. If you don't have enough vitamin K, you may bleed too much. Newborns have ...

  20. Vitamin K

    Science.gov (United States)

    ... diabetes (Antidiabetes drugs)Vitamin K1 might decrease blood sugar. Diabetes medications are also used to lower blood sugar. Taking vitamin K1 along with diabetes medications might cause your blood sugar to go ...

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

    Science.gov (United States)

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

    2013-03-01

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

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

    Science.gov (United States)

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

    2012-07-01

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

  3. Shell-model calculations for p-shell hypernuclei

    OpenAIRE

    Millener, D. J.

    2012-01-01

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

  4. One-pot synthesis and characterization of rhodamine derivative-loaded magnetic core-shell nanoparticles

    Science.gov (United States)

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

    2011-05-01

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

  5. K Vidyasagar

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences. K Vidyasagar. Articles written in Journal of Chemical Sciences. Volume 112 Issue 3 June 2000 pp 417-417. Solid state chemistry of new polysulphides in A/Sn/S (A = Na, K, Rb) systems · M Suseela Devi K Vidyasagar · More Details Fulltext PDF. Volume 115 Issue 5-6 ...

  6. 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

  7. Atomic vapor density monitor

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-09-01

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

  8. Detection of gas atoms with carbon nanotubes

    Science.gov (United States)

    Arash, B.; Wang, Q.

    2013-01-01

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

  9. Bursts and shocks in a continuum shell model

    DEFF Research Database (Denmark)

    Andersen, Ken Haste; Bohr, Tomas; Jensen, M.H.

    1998-01-01

    We study a burst event, i.e., the evolution of an initial condition having support only in a finite interval of k-space, in the continuum shell model due to Parisi. We show that the continuum equation without forcing or dissipation can be explicitly written in characteristic form and that the right...... and left moving parts can be solved exactly. When this is supplemented by the approximate shock condition it is possible to find the symptotic form of the burst....

  10. Shell model Monte Carlo methods

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-10-01

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

  11. 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.

  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. Playing Pinball with Atoms

    NARCIS (Netherlands)

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

    2009-01-01

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

  14. 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.

  15. 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)....

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

    OpenAIRE

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

    2015-01-01

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

  17. The Shell-Model Code NuShellX@MSU

    Science.gov (United States)

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

    2014-06-01

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

  18. The Shell-Model Code NuShellX@MSU

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-15

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

  19. Atomization characteristics of a prefilming airblast atomizer

    Science.gov (United States)

    Hayashi, Shigeru; Koito, Atsushi; Hishiki, Manabu

    1992-01-01

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

  20. Single atom electrochemical and atomic analytics

    Science.gov (United States)

    Vasudevan, Rama

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

  1. 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...

  2. Mesoscale structure of chiral nematic shells.

    Science.gov (United States)

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

    2016-11-09

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

  3. Fingerprints of core-hole localization in the inner shell ionization of carbon tetrachloride

    Science.gov (United States)

    Gaire, B.; Stammer, P.; Gatton, A.; Berry, B.; Severt, T.; Rist, J.; Eckart, S.; Williams, J.; Ben-Itzhak, I.; Doerner, R.; Weber, Th.

    2017-04-01

    We present innershell photoionization studies of single carbon tetrachloride molecules by ionizing electrons from the chlorine 2p orbital applying our COLTRIMS method, which we recently upgraded to accommodate low vapor pressure samples in the liquid form. Recoil frame photoelectron angular distributions (RFPADs) are generated by transforming the measured coincident electron-ion 3D-momentum vectors to body fixed frames. The RFPADs for the most prominent two ionic breakup channel are presented for three different photoelectron energies and orientations of the polarization direction of the incoming light with respect to the recoil axis. The asymmetric and rich structures of the electron emission patterns suggest the localization of the core hole at the Cl atom from which the 2p electron was released, similar to the case of the F K-shell ionization of carbon tetrafluoride where, in close collaboration with theory, a strong unambiguous core hole localization effect was identified. This research used the Advanced Light Source and was supported by DOE-BES under Contract No. DE-AC02-05CH11231 and DE-FG02-86ER13491, the ALS Doctoral Fellowship in Residence, and the DFG and DAAD.

  4. Multilevel Atomic Coherent States and Atomic Holomorphic Representation

    Science.gov (United States)

    Cao, Chang-Qi; Haake, Fritz

    1996-01-01

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

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

    Science.gov (United States)

    Aggarwal, Kanti M.

    2015-11-01

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

  6. Band alignment of atomic layer deposited high-k Al{sub 2}O{sub 3}/multilayer MoS{sub 2} interface determined by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke; He, Jiazhu; Tang, Dan [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Shenzhen Key Laboratory of Special Functional Materials, Shenzhen University, 3688 Nanhai Ave, Shenzhen, 518060 (China); Liu, Qiang; Wen, Jiao [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai, 200050 (China); Yu, Wenjie, E-mail: casan@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai, 200050 (China); Lu, Youming; Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Shenzhen Key Laboratory of Special Functional Materials, Shenzhen University, 3688 Nanhai Ave, Shenzhen, 518060 (China); Pan, Jisheng [Institute of Materials Research and Engineering, Agency for Science Technology and Research, 117602 (Singapore); Liu, Wenjun [Department of Microelectronics, Fudan University, 220 Handan Road, Shanghai, 200433 (China); Ang, Kah Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen, 518055 (China)

    2015-11-25

    The energy band alignment between Al{sub 2}O{sub 3}/multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy (XPS). The Al{sub 2}O{sub 3} was deposited using an atomic layer deposition (ALD) tool. A valence band offset of 4.10 eV and a conduction band offset of 3.41 eV were obtained across the ALD-Al{sub 2}O{sub 3}/ML-MoS{sub 2} interface. For comparison, the valence band offset and a conduction band offset were also obtained for ALD-SiO{sub 2}/ML-MoS{sub 2} interface. It was found out that ALD-Al{sub 2}O{sub 3}/ML-MoS{sub 2} interface has a larger conduction band offset, compared to that of ALD-SiO{sub 2}/ML-MoS{sub 2} interface, which indicate ALD-Al{sub 2}O{sub 3} served as the gate dielectric for n-type ML-MoS{sub 2} based field effect transistors has advantage over ALD-SiO{sub 2} in term of suppressing the gate leakage current. - Highlights: • The band alignment of ALD-Al{sub 2}O{sub 3}/ML-MoS{sub 2} was characterized using XPS. • The ΔE{sub V} and ΔE{sub C} of ALD-Al{sub 2}O{sub 3}/ML-MoS{sub 2} is found to be 4.10 eV and 3.41 eV, respectively. • ALD-Al{sub 2}O{sub 3} served as the gate dielectric for n-type ML-MoS{sub 2} based FETs has advantage of ALD-SiO{sub 2}.

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

    NARCIS (Netherlands)

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

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

  8. Shell formation and nuclear masses

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-12-15

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

  9. 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....

  10. (Oil Palm Shell) Lightweight Concrete

    African Journals Online (AJOL)

    The compressive strength as destructive test and, ultrasonic pulse velocity (UPV) and dynamic modulus of elasticity (Ed) as non-destructive tests have been carried out on a new lightweight concrete produced using oil palm shell (OPS) as coarse aggregate, as a way to establish the usefulness of these tests to determine the ...

  11. Potential Energy Curves and Transport Properties for the Interaction of He with Other Ground-state Atoms

    Science.gov (United States)

    Partridge, Harry; Stallcop, James R.; Levin, Eugene; Arnold, Jim (Technical Monitor)

    2001-01-01

    The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.

  12. 21 CFR 886.3800 - Scleral shell.

    Science.gov (United States)

    2010-04-01

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

  13. 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...

  14. Mussel shell evaluation as bioindicator for heavy metals

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-07-01

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

  15. 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.

  16. On-Chip Glass Microspherical Shell Whispering Gallery Mode Resonators.

    Science.gov (United States)

    Zhang, Chenchen; Cocking, Alexander; Freeman, Eugene; Liu, Zhiwen; Tadigadapa, Srinivas

    2017-11-02

    Arrays of on-chip spherical glass shells of hundreds of micrometers in diameter with ultra-smooth surfaces and sub-micrometer wall thicknesses have been fabricated and have been shown to sustain optical resonance modes with high Q-factors of greater than 50 million. The resonators exhibit temperature sensitivity of -1.8 GHz K-1 and can be configured as ultra-high sensitivity thermal sensors for a broad range of applications. By virtue of the geometry's strong light-matter interaction, the inner surface provides an excellent on-chip sensing platform that truly opens up the possibility for reproducible, chip scale, ultra-high sensitivity microfluidic sensor arrays. As a proof of concept we demonstrate the sensitivity of the resonance frequency as water is filled inside the microspherical shell and is allowed to evaporate. By COMSOL modeling, the dependence of this interaction on glass shell thickness is elucidated and the experimentally measured sensitivities for two different shell thicknesses are explained.

  17. Manifestation of Geometric and Electronic Shell Structures of Metal Clusters in Intercluster Reactions.

    Science.gov (United States)

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

    2017-06-27

    Monolayer protected clusters exhibit rich diversity in geometric and electronic structures. However, structure-reactivity relationships in these clusters are rarely explored. In this context, [Ag44(SR)30]4-, where -SR is an alkyl/aryl thiolate, is an interesting system due to its geometrically and electronically closed-shell structures and distinct charge states. We demonstrate that these structural features of [Ag44(SR)30]4- are distinctly manifested in its solution-state reaction with another cluster, [Au25(SR)18]-. Through this reaction, an alloy cluster anion, [Au12Ag32(SR)30]4-, evolves spontaneously as revealed by high-resolution electrospray ionization mass spectrometry. Ultraviolet-visible absorption spectroscopy and density functional theory calculations indicate that [Au12Ag32(SR)30]4- is formed by the substitution of all of the Ag atoms in the innermost icosahedral shell of [Ag44(SR)30]4- and the abundance is attributed to its higher stability due to closed geometric as well as electronic shell structure, similar to the reactant clusters. We further demonstrate that the substitution of metal atoms in the middle dodecahedral shell and the outermost mount sites are also possible, however such substitutions produce AuxAg44-x(SR)30 alloy clusters with geometrically and electronically open shells. Depending on specific sites of substitution, an unexpected superatom-nonsuperatom transition occurs in the distribution of AuxAg44-x(SR)30 alloy clusters formed in this reaction. Our results present a unique example of a structure-reactivity relationship in the metal atom substitution chemistry of monolayer protected clusters, wherein a systematic trend, reflecting the geometric and the electronic shell structures of the reactant as well as the product clusters, was observed.

  18. 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.

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

    OpenAIRE

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

    2005-01-01

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

  20. Packaging of DNA by shell crosslinked nanoparticles.

    Science.gov (United States)

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

    1999-07-15

    We demonstrate compaction of DNA with nanoscale biomimetic constructs which are robust synthetic analogs of globular proteins. These constructs are approximately 15 nm in diameter, shell crosslinked knedel-like (SCKs) nanoparticles, which are prepared by covalent stabilization of amphiphilic di-block co-polymer micelles, self-assembled in an aqueous solution. This synthetic approach yields size-controlled nanoparticles of persistent shape and containing positively charged functional groups at and near the particle surface. Such properties allow SCKs to bind with DNA through electrostatic interactions and facilitate reduction of the DNA hydrodynamic diameter through reversible compaction. Compaction of DNA by SCKs was evident in dynamic light scattering experiments and was directly observed by in situ atomic force microscopy. Moreover, enzymatic digestion of the DNA plasmid (pBR322, 4361 bp) by Eco RI was inhibited at low SCK:DNA ratios and prevented when [le]60 DNA bp were bound per SCK. Digestion by Msp I in the presence of SCKs resulted in longer DNA fragments, indicating that not all enzyme cleavage sites were accessible within the DNA/SCK aggregates. These results have implications for the development of vehicles for successful gene therapy applications.

  1. 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

  2. K Anantheshwara

    Indian Academy of Sciences (India)

    Home; Journals; Sadhana. K Anantheshwara. Articles written in Sadhana. Volume 33 Issue 3 June 2008 pp 221-226. Effect of friction on the performance of inertial slider · K Anantheshwara N S Murali M S Bobji · More Details Abstract Fulltext PDF. Inertial sliders are friction based drives used to position with a resolution of a ...

  3. K Ramachandran

    Indian Academy of Sciences (India)

    K Ramachandran. Articles written in Resonance – Journal of Science Education. Volume 10 Issue 7 July 2005 pp 73-84 Classroom. Two Dimensional Potential Mapping – Monte Carlo Simulation · J Meena Devi K Ramachandran · More Details Fulltext PDF. Volume 14 Issue 11 November 2009 pp 1102-1110 Classroom.

  4. K Balachandran

    Indian Academy of Sciences (India)

    Home; Journals; Proceedings – Mathematical Sciences. K Balachandran. Articles written in Proceedings – Mathematical Sciences. Volume 110 Issue 2 May 2000 pp 225-232. Existence of Solutions of Nonlinear Integrodifferential Equations of Sobolev Type with Nonlocal Condition in Banach Spaces · K Balachandran K ...

  5. K Sivan

    Indian Academy of Sciences (India)

    Home; Journals; Sadhana. K Sivan. Articles written in Sadhana. Volume 29 Issue 2 April 2004 pp 175-188. Performance evaluation of multi-sensor data-fusion systems in launch vehicles · B N Suresh K Sivan · More Details Abstract Fulltext PDF. In this paper, the utilization of multi-sensors of different types, their ...

  6. K Fatima

    Indian Academy of Sciences (India)

    Home; Journals; Sadhana. K Fatima. Articles written in Sadhana. Volume 28 Issue 5 October 2003 pp 957-974. Nano finish grinding of brittle materials using electrolytic in-process dressing (ELID) technique · M Rahman A Senthil Kumar H S Lim K Fatima · More Details Abstract Fulltext PDF. Recent developments in grinding ...

  7. K Porsezian

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. K Porsezian. Articles written in Resonance – Journal of Science Education. Volume 15 Issue 7 July 2010 pp 643-666 General Article. Elements of Optical Solitons: An Overview · V C Kuriakose K Porsezian · More Details Fulltext PDF. Volume 17 Issue 2 February ...

  8. K Bhaskar

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education. K Bhaskar. Articles written in Resonance – Journal of Science Education. Volume 17 Issue 8 August 2012 pp 748-758 General Article. C–Past, Present, and Future – A Perspective · K Bhaskar · More Details Fulltext PDF ...

  9. Core-shell silk hydrogels with spatially tuned conformations as drug-delivery system.

    Science.gov (United States)

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

    2017-11-01

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

  10. Solvation of fullerene and fulleride ion in liquid ammonia: structure and dynamics of the solvation shells.

    Science.gov (United States)

    Rana, Malay Kumar; Chandra, Amalendu

    2012-10-07

    Molecular dynamics simulations have been performed to investigate the solvation characteristics of neutral fullerene (C(60)) and charged fulleride anion (C(60)(5-)) in liquid ammonia. Potassium ions are present as counterions in the system containing fulleride ion. In addition to solvation characteristics, dynamical properties of solvation shells are also found out for both the neutral and anionic solutes. Our results reveal the presence of a rather large solvation shell of ammonia molecules around the C(60)(5-) ion. It is found that the ammonia molecules are more closely packed in the first solvation shell of C(60)(5-) than that of C(60). The distributions of ammonia molecules in the solvation shells of C(60) and C(60)(5-) solutes together with hydrogen bonding characteristics of the solvent in different solvation shells are investigated. It is found that the solvation of the small counterions (K(+)) in liquid ammonia is affected very little by the presence of the large C(60)(5-) anion. Regarding the dynamics of ammonia in solvation shells, it is found that the residence, translational and rotational dynamics of ammonia molecules differ significantly between the solvation shells of the neutral and charged fullerene solutes, especially in the first solvation shells. The average lifetimes of ammonia-ammonia hydrogen bonds are calculated from both continuous and intermittent hydrogen bond correlation functions. The calculations of binding energies reveal that the hydrogen bonds are weaker, hence short lived in the solvation shell of C(60)(5-) compared to those in the solvation shell of neutral C(60) and also in bulk liquid ammonia.

  11. Charge radii of neon isotopes across the sd neutron shell

    CERN Document Server

    Marinova, K; Kowalska, M; Kotrotsios, G; Kloos, S; Neugart, R; Blaum, K; Simon, H; Keim, M; Lievens, P; Wilbert, S; Kappertz, S

    2011-01-01

    We report on the changes in mean square charge radii of unstable neon nuclei relative to the stable (20)Ne, based on the measurement of optical isotope shifts. The studies were carried out using collinear laser spectroscopy on a fast beam of neutral neon atoms. High sensitivity on short-lived isotopes was achieved thanks to nonoptical detection based on optical pumping and state-selective collisional ionization, which was complemented by an accurate determination of the beam kinetic energy. The new results provide information on the structural changes in the sequence of neon isotopes all across the neutron sd shell, ranging from the proton drip line nucleus and halo candidate (17)Ne up to the neutron-rich (28)Ne in the vicinity of the ``island of inversion.{''} Within this range the charge radius is smallest for (24)Ne with N = 14 corresponding to the closure of the neutron d(5/2) shell, while it increases toward both neutron shell closures, N = 8 and N = 20. The general trend of the charge radii correlates w...

  12. Atom Probe Tomography of Geomaterials

    Science.gov (United States)

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

    2013-12-01

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

  13. Effect of C60 adducts on the dynamic structure of aromatic solvation shells

    Science.gov (United States)

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

    2017-06-01

    We report herein on the use of all-atom molecular dynamics simulations to investigate the solvation environment of C60 and four C60-derived fullerenes immersed in a variety of aromatic solvents. Utilizing a recently developed solvation shell analysis technique that quantifies the spatial relationships between fullerenes and solvent on a molecular level, we show that the number of fullerene substituents and solvent chemistry are crucial determinants of the solvation shell structure and thus fullerene solvation behavior. Specifically, it is shown for the derivatives investigated that the number of fullerene substituents is more critical to solvation behavior than the substituent chemistry.

  14. Enhanced bifunctional fuel cell catalysis via Pd/PtCu core/shell nanoplates.

    Science.gov (United States)

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

    2017-11-27

    Depositing Pt atoms on nanoscale two-dimensional (2D) substrates resulting in the exposure of specific crystal facets is an effective strategy for reducing the Pt content without compromising the catalytic property. Herein, the Pd/PtCu core/shell nanoplates exhibit substantially improved ORR and MOR mass activities, 8.3 and 3.3 times higher than those of commercial Pt. The present work highlights the important role of designing a 2D core/shell nanostructure in enhancing fuel cell electrocatalysis.

  15. Photoionisation of ions with synchrotron radiation: from ions in space to atoms in cages

    Energy Technology Data Exchange (ETDEWEB)

    Schippers, Stefan; Kilcoyne, A. L. David; Phaneuf, Ronald A.; Müller, Alfred

    2015-11-11

    Here, we introduce the photon-ion merged-beams technique for the photoionisation of mass/charge selected ionised atoms, molecules and clusters by x-rays from synchrotron radiation sources. Examples for photoionisation of atomic ions are discussed by going from outer shell ionisation of simple few electron systems to inner shell ionisation of complex many electron ions. Fundamental ionisation mechanisms are elucidated and the importance of the results for applications in astrophysics and plasma physics is pointed out. Finally, the unique capabilities of the photon-ion merged-beams technique for the study of photoabsorption by nanoparticles are demonstrated by the example of endohedral fullerene ions.

  16. Possible violation of the Pauli principle in atoms

    CERN Document Server

    Okun, Lev Borisovich

    1987-01-01

    A free field model with an explicit violation of the Pauli principle is constructed. The difficulties which arise in incorporating an electromagnetic interaction and in extending the model to the relativistic case are discussed. Some experiments which might be carried out to search for 'non-Pauli' atoms, with an anomalous filling of electron shells or of nucleon levels of the nucleus, are proposed. (9 refs).

  17. 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...

  18. Analysis of polarizability measurements made with atom interferometry

    CERN Document Server

    Gregoire, Maxwell D; Trubko, Raisa; Cronin, Alexander D

    2016-01-01

    We present revised measurements of the static electric dipole polarizabilities of K, Rb, and Cs based on atom interferometer experiments presented in [Phys. Rev. A 2015, 92, 052513] but now re-analyzed with new calibrations for the magnitude and geometry of the applied electric field gradient. The resulting polarizability values did not change, but the uncertainties were significantly reduced. Then we interpret several measurements of alkali metal atomic polarizabilities in terms of atomic oscillator strengths $f_{ik}$, Einstein coefficients $A_{ik}$, state lifetimes $\\tau_{k}$, transition dipole matrix elements $D_{ik}$, line strengths $S_{ik}$, and van der Waals $C_6$ coefficients. Finally, we combine atom interferometer measurements of polarizabilities with independent measurements of lifetimes and $C_6$ values in order to quantify the residual contribution to polarizability due to all atomic transitions other than the principal $ns$-$np_J$ transitions for alkali metal atoms.

  19. In Situ Atom Probe Deintercalation of Lithium-Manganese-Oxide.

    Science.gov (United States)

    Pfeiffer, Björn; Maier, Johannes; Arlt, Jonas; Nowak, Carsten

    2017-04-01

    Atom probe tomography is routinely used for the characterization of materials microstructures, usually assuming that the microstructure is unaltered by the analysis. When analyzing ionic conductors, however, gradients in the chemical potential and the electric field penetrating dielectric atom probe specimens can cause significant ionic mobility. Although ionic mobility is undesirable when aiming for materials characterization, it offers a strategy to manipulate materials directly in situ in the atom probe. Here, we present experimental results on the analysis of the ionic conductor lithium-manganese-oxide with different atom probe techniques. We demonstrate that, at a temperature of 30 K, characterization of the materials microstructure is possible without measurable Li mobility. Also, we show that at 298 K the material can be deintercalated, in situ in the atom probe, without changing the manganese-oxide host structure. Combining in situ atom probe deintercalation and subsequent conventional characterization, we demonstrate a new methodological approach to study ionic conductors even in early stages of deintercalation.

  20. Modern atomic physics

    CERN Document Server

    Natarajan, Vasant

    2015-01-01

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

  1. Single atom microscopy.

    Science.gov (United States)

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

    2012-12-01

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

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

    Directory of Open Access Journals (Sweden)

    Tahani R. Al-Biladi

    2015-01-01

    Full Text Available Nanostructured fluorescent pyrromethene (PM doped-silica core-shell particles were successfully prepared by Stöber process. The average size of the particles was in the range of 10–20 nm measured by TEM micrograph. The atomic structure and morphology of PM 597/SiO2 core/shell nanoparticles were studied by AFM and SEM, respectively. Absorption and emission spectra of the PM 597/SiO2 core/shell nanoparticles under the UV irradiation were studied and not significantly influenced at the position of peaks. Finally, amplified spontaneous emission (ASE and photobleaching of dye were examined and found no significant influence on the peaks of PM dye due to the formation of smaller sizes of PM 597/SiO2 core/shell nanoparticles. The observed PM 597/SiO2 core/shell nanoparticles were different in shapes with smaller size distribution and highly luminescent. Majority of nanoparticles were roughly spherical with many of them aggregated. The less photobleaching of dye core may be due to the protection of pumped energy by SiO2 shell and restricts the leakage of dye.

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

    Science.gov (United States)

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

    2004-08-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Clementson, Joel [Lund Univ. (Sweden)

    2010-05-01

    The spectra of highly charged tungsten ions have been investigated using x-ray and extreme ultraviolet spectroscopy. These heavy ions are of interest in relativistic atomic structure theory, where high-precision wavelength measurements benchmark theoretical approaches, and in magnetic fusion research, where the ions may serve to diagnose high-temperature plasmas. The work details spectroscopic investigations of highly charged tungsten ions measured at the Livermore electron beam ion trap (EBIT) facility. Here, the EBIT-I and SuperEBIT electron beam ion traps have been employed to create, trap, and excite tungsten ions of M- and L-shell charge states. The emitted spectra have been studied in high resolution using crystal, grating, and x-ray calorimeter spectrometers. In particular, wavelengths of n = 0 M-shell transitions in K-like W55+ through Ne-like W64+, and intershell transitions in Zn-like W44+ through Co-like W47+ have been measured. Special attention is given to the Ni-like W46+ ion, which has two strong electric-dipole forbidden transitions that are of interest for plasma diagnostics. The EBIT measurements are complemented by spectral modeling using the Flexible Atomic Code (FAC), and predictions for tokamak spectra are presented. The L-shell tungsten ions have been studied at electron-beam energies of up to 122 keV and transition energies measured in Ne-like W64+ through Li-like W71+. These spectra constitute the physics basis in the design of the ion-temperature crystal spectrometer for the ITER tokamak. Tungsten particles have furthermore been introduced into the Sustained Spheromak Physics Experiment (SSPX) spheromak in Livermore in order to investigate diagnostic possibilities of extreme ultraviolet tungsten spectra for the ITER divertor. The spheromak measurement and spectral modeling using FAC suggest that tungsten ions in charge states around Er-like W6+ could be useful for

  5. Solar Spectroscopy: Atomic Processes

    Science.gov (United States)

    Mason, H.; Murdin, P.

    2000-11-01

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

  6. Advances in atomic spectroscopy

    CERN Document Server

    Sneddon, J

    1997-01-01

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

  7. 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.

  8. Indentation of ellipsoidal and cylindrical elastic shells.

    Science.gov (United States)

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

    2012-10-05

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

  9. 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.

  10. 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.

  11. Lattice dynamics and correlated atomic motion from the atomic pair distribution function

    OpenAIRE

    Jeong, I. -K.; Heffner, R. H.; Graf, M. J.; Billinge, S. J. L.

    2002-01-01

    The mean-square relative displacements (MSRD) of atomic pair motions in crystals are studied as a function of pair distance and temperature using the atomic pair distribution function (PDF). The effects of the lattice vibrations on the PDF peak widths are modelled using both a multi-parameter Born von-Karman (BvK) force model and a single-parameter Debye model. These results are compared to experimentally determined PDFs. We find that the near-neighbor atomic motions are strongly correlated, ...

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

    CERN Document Server

    Davydov, S Y

    2002-01-01

    The nature of the electron-stimulated desorption (ESD) of the europium atoms by the E sub e irradiating electrons energies, equal to 50 and 80 eV, as well as peculiarities of the Eu atoms yield dependence on their concentration on the oxidized tungsten surface are discussed. It is shown, that the ESD originates by the electron transition from the interval 5p- or 5s shell of the tungsten surface atom onto the oxygen external unfilled 2p-level

  13. Læren fra Shell

    DEFF Research Database (Denmark)

    Ørding Olsen, Anders

    2017-01-01

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

  14. Shell Evolutions and Nuclear Forces

    Science.gov (United States)

    Sorlin, O.

    2014-03-01

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

  15. 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.

  16. Rings Related to Special Atoms | France-Jackson | Quaestiones ...

    African Journals Online (AJOL)

    Abstract unavailable at this time... Mathematics Subject Classification (1991): 16A21, 16A12 Keywords: ring, special atoms, atoms, *k-ring, prime ring, *-ring, Jacobson, artinia, essential extension, homomorphic image, ideals. Quaestiones Mathematicae 24(1) 2001, 105–109 ...

  17. Nuclear polarizability of helium isotopes in atomic transitions

    OpenAIRE

    Pachucki, K.; Moro, A. M.

    2006-01-01

    We estimate the nuclear polarizability correction to atomic transition frequencies in various helium isotopes. This effect is non-negligible for high precision tests of quantum electrodynamics or accurate determination of the nuclear charge radius from spectroscopic measurements in helium atoms and ions. In particular, it amounts to $28(3)$ kHz for 1S-2S transition in 4He+.

  18. Sound Radiation of Cylindrical Shells

    Directory of Open Access Journals (Sweden)

    B Alzahabi

    2016-09-01

    Full Text Available The acoustic signature of submarines is very critical in such high performance structure. Submarines are not only required to sustain very high dynamic loadings at all time, but also being able maneuver and perform their functions under sea without being detected by sonar systems. Submarines rely on low acoustic signature level to remain undetected. Reduction of sound radiation is most efficiently achieved at the design stage. Acoustic signatures may be determined by considering operational scenarios, and modal characteristics. The acoustic signature of submarines is generally of two categories; broadband which has a continuous spectrum; and a tonal noise which has discrete frequencies. The nature of sound radiation of submarine is fiction of its speed. At low speed the acoustic signature is dominated by tonal noise, while at high speed, the acoustic signature is mainly dominated by broadband noise. Submarine hulls are mainly constructed of circular cylindrical shells. Unlike that of simpler structures such as beams and plates, the modal spectrum of cylindrical shell exhibits very unique characteristics. Mode crossing, the uniqueness of modal spectrum, and the redundancy of modal constraints are just to name a few. In cylindrical shells, the lowest natural frequency is not necessarily associated with the lowest wave index. In fact, the natural frequencies do not fall in ascending order of the wave index either. Solution of the vibration problem of cylindrical shells also indicates repeated natural frequencies. These modes are referred to as double peak frequencies. Mode shapes associated with each one of the natural frequencies are usually a combination of Radial (flexural, Longitudinal (axial, and Circumferential (torsional modes. In this paper, the wave equation will be set up in terms of the pressure fluctuations, p(x, t. It will be demonstrated that the noise radiation is a fluctuating pressure wave.

  19. Bright white-light emission from Ag/SiO2/CdS-ZnS core/shell/shell plasmon couplers.

    Science.gov (United States)

    Liao, Chen; Tang, Luping; Gao, Xiaoqin; Xu, Ruilin; Zhang, Huichao; Yu, Yongya; Lu, Changgui; Cui, Yiping; Zhang, Jiayu

    2015-12-28

    Well-defined plasmon couplers (PCs) that comprise a Ag core overcoated with a SiO(2) shell with controlled thickness, followed by a monolayer of CdS-ZnS core-shell quantum dots (QDs) were synthesized to modify the emission from trap-rich CdS-ZnS QDs by adjusting the distance between the QDs and Ag nanoparticles (NPs). When the thickness of the SiO(2) shell was 10 nm, because the shell could effectively suppress the non-radiative energy transfer from the semiconductor QDs to the metal NPs and the localized surface plasmon resonance (LSPR) of the Ag NPs spectrally matched the emission peak of the CdS-ZnS QDs to bring about strong plasmon coupling, optimum enhancements of the surface state emission (SSE) (17 times) and band-edge emission (BEE) (4 times) were simultaneously realized and the SSE to BEE intensity ratio was increased to 55%. As a result, a bright white-light source with 1931 Commission Internationale d'Eclairage (CIE) chromaticity coordinates of (0.32, 0.34) was realized by the superposition of the two emissions. The experimental results from Ag/SiO(2)/CdSe-ZnS and the Ag/SiO(2)/CdS:Mn-ZnS core/shell/shell PCs indicated that suppressing the non-radiative decay rate (k(nr)) was the underlying mechanism for plasmon coupling fluorescence enhancement.

  20. 3D Atomic Arrangement at Functional Interfaces Inside Nanoparticles by Resonant High-Energy X-ray Diffraction.

    Science.gov (United States)

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

    2015-10-21

    With current science and technology moving rapidly into smaller scales, nanometer-sized materials, often referred to as NPs, are produced in increasing numbers and explored for numerous useful applications. Evidence is mounting, however, that useful properties of NPs can be improved further and even new NP functionality achieved by not only controlling the NP size and shape but also interfacing chemically or structurally distinct entities into single, so-called "composite" NPs. A typical example is core-shell NPs wherein the synergy of distinct atoms at the core\\shell interface endows the NPs with otherwise unachievable functionality. However, though advantageous, the concept of functional interfaces inside NPs is still pursued largely by trial-and-error. That is because it is difficut to assess the interfaces precisely at the atomic level using traditional experimental techniques and, hence, difficult to take control of. Using the core\\shell interface in less than 10 nm in size Ru core-Pt shells NPs as an example, we demonstrate that precise knowledge of the 3D atomic arrangement at functional interfaces inside NPs can be obtained by resonant high-energy X-ray diffraction (XRD) coupled to element-specific atomic pair distribution function (PDF) analysis. On the basis of the unique structure knowledge obtained, we scrutinize the still-debatable influence of core\\shell interface on the catalytic functionality of Ru core-Pt shell NPs, thus evidencing the usefulness of this nontraditional technique for practical applications.

  1. Paleoceanographic conditions at approximately 20 and 70 ka recorded in Kikaithyris hanzawai (Brachiopoda) shells

    Science.gov (United States)

    Takizawa, Mamoru; Takayanagi, Hideko; Yamamoto, Koshi; Abe, Osamu; Sasaki, Keiichi; Iryu, Yasufumi

    2017-10-01

    The δ13C and δ18O values of fossil brachiopod shells have been widely used as paleoenvironmental proxies. In this study, we investigated intrashell and intraspecific variations in the isotopic and minor element concentrations of well-preserved shells of the brachiopod Kikaithyris hanzawai (Yabe) from the last glacial period (∼20 ka [Last Glacial Maximum; LGM] and ∼70 ka [Marine Isotope Stage 4; MIS4]), collected in the Central Ryukyus, and used these data to estimate the paleoceanographic conditions (seawater temperature, concentration of dissolved inorganic carbon [DIC], and δ13C value of DIC [δ13CDIC]). The δ13C and δ18O profiles along the maximum growth axis, obtained from the inner shell surface, show three distinct intervals, corresponding to changes in shell morphology. These results suggest that the bulk isotopic compositions of brachiopods with complex shell morphologies are unsuitable for paleoenvironmental reconstructions. Nevertheless, there exists a specific shell portion with relatively small intrashell and intraspecific variations. The past seawater temperatures derived from the δ18O values of this portion are consistent with the alkenone- and planktic foraminiferal Mg/Ca-based past seawater temperatures reported in previous studies. The past δ13CDIC values estimated from the δ13C values of the specific shell portion are within the range of the past δ13CDIC values calculated from known atmospheric and oceanographic parameters. The past DIC concentrations reconstructed from the brachiopod-based δ13CDIC values are lower than the present concentrations in the East China Sea, which can be explained by low partial pressure of CO2 during the last glacial period. These results indicate that the δ13C and δ18O values obtained from K. hanzawai shells are potential paleoenvironmental indicators. The intrashell and intraspecific variations in the K. hanzawai shells are different for each minor element. Some anomalously high Mn and Fe

  2. Gastropod shells as pollution indicators, Red Sea coast, Egypt

    Science.gov (United States)

    El-Sorogy, Abdelbaset; El Kammar, Ahmed; Ziko, Abdelmohsen; Aly, Mohsen; Nour, Hamdy

    2013-11-01

    Thirty samples of gastropod shells belonging to Nerita albicilla and Canarium (Gibberulus) gibbosus from 15 stations along the Egyptian Red Sea coast were selected for chemical analysis. The analysis indicated that Nerita is a geochemical marker for a sizeable group of trace elements including; Cu, Pb, Zn, Ag, Th, Ba, Tl, S, Sc and Se, while Canarium is a good accumulator of the elements, Mo, U, Au and K. Both species have the same selectivity for Ni, Mn, Fe, As, Sr and P. The differences in sensitivity between the two species are attributed to the mode of life and incorporation of the elements within the crystal lattice of calcium carbonates composing the shells. On basis of the obtained data, the study area can be subdivided into three zones namely; almost pristine, moderately polluted zone and markedly polluted. Pollution is mostly attributed to anthropogenic sources.

  3. 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.

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

    Science.gov (United States)

    Moini, Mehdi; O'Halloran, Aoife; Peters, Alan M; France, Christine A M; Vicenzi, Edward P; DeWitt, Tamsen G; Langan, Esther; Walsh, Tim; Speakman, Robert J

    2014-01-01

    Irregular shell formation and black lines on the outside of live chambered nautilus shells have been observed in all adult specimens at aquariums and zoos soon after the organisms enter aquaria. Black lines have also been observed in wild animals at sites of broken shell, but continued growth from that point returns to a normal, smooth structure. In contrast, rough irregular deposition of shell continues throughout residence in aquaria. The composition and reasons for deposition of the black material and mitigation of this irregular shell formation is the subject of the current study. A variety of analytical techniques were used, including stable isotope mass spectrometry (SI-MS), inductively coupled plasma mass spectrometry (ICP-MS), micro x-ray fluorescence (µXRF), X-ray diffraction (XRD), and scanning electron microscopy (SEM) based X-ray microanalysis. Results indicate that the black material contains excess amounts of copper, zinc, and bromine which are unrelated to the Nautilus diet. The combination of these elements and proteins plays an important role in shell formation, growth, and strengthening. Further study will be needed to compare the proteomics of the shell under aquaria versus natural wild environments. The question remains as to whether the occurrence of the black lines indicates normal healing followed by growth irregularities that are caused by stress from chemical or environmental conditions. In this paper we begin to address this question by examining elemental and isotopic differences of Nautilus diet and salt water. The atomic composition and light stable isotopic ratios of the Nautilus shell formed in aquaria verses wild conditions are presented. © 2014 Wiley Periodicals, Inc.

  5. Effect of Thermal Fluctuations on the Radiative Rate in Core/Shell Quantum Dots.

    Science.gov (United States)

    Balan, Arunima D; Eshet, Hagai; Olshansky, Jacob H; Lee, Youjin V; Rabani, Eran; Alivisatos, A Paul

    2017-03-08

    The effect of lattice fluctuations and electronic excitations on the radiative rate is demonstrated in CdSe/CdS core/shell spherical quantum dots (QDs). Using a combination of time-resolved photoluminescence spectroscopy and atomistic simulations, we show that lattice fluctuations can change the radiative rate over the temperature range from 78 to 300 K. We posit that the presence of the core/shell interface plays a significant role in dictating this behavior. We show that the other major factor that underpins the change in radiative rate with temperature is the presence of higher energy states corresponding to electron excitation into the shell. These effects should be present in other core/shell samples and should also affect other excited state rates, such as the rate of Auger recombination or the rate of charge transfer.

  6. Enhancing the sensitivity of magnetic sensors by 3D metamaterial shells.

    Science.gov (United States)

    Navau, Carles; Mach-Batlle, Rosa; Parra, Albert; Prat-Camps, Jordi; Laut, Sergi; Del-Valle, Nuria; Sanchez, Alvaro

    2017-03-17

    Magnetic sensors are key elements in our interconnected smart society. Their sensitivity becomes essential for many applications in fields such as biomedicine, computer memories, geophysics, or space exploration. Here we present a universal way of increasing the sensitivity of magnetic sensors by surrounding them with a spherical metamaterial shell with specially designed anisotropic magnetic properties. We analytically demonstrate that the magnetic field in the sensing area is enhanced by our metamaterial shell by a known factor that depends on the shell radii ratio. When the applied field is non-uniform, as for dipolar magnetic field sources, field gradient is increased as well. A proof-of-concept experimental realization confirms the theoretical predictions. The metamaterial shell is also shown to concentrate time-dependent magnetic fields upto frequencies of 100 kHz.

  7. Atoms, Molecules, and Compounds

    CERN Document Server

    Manning, Phillip

    2007-01-01

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

  8. Atoms, Molecules and Radiation

    Indian Academy of Sciences (India)

    IAS Admin

    A Refresher Course in Applications of Quantum Mechanics to 'Atoms, Molecules and Radiation' will be held at the Indian Academy of Sciences, Bangalore from December 8 to 20. 2014. The Course is primarily aimed at teachers teaching quantum mechanics and/ or atomic and molecular physics at the UG / PG level.

  9. When Atoms Want

    Science.gov (United States)

    Talanquer, Vicente

    2013-01-01

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

  10. Atomicity in Electronic Commerce,

    Science.gov (United States)

    1996-01-01

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

  11. Precisely controlled resorcinol-formaldehyde resin coating for fabricating core-shell, hollow, and yolk-shell carbon nanostructures

    Science.gov (United States)

    Fang, Xiaoliang; Liu, Shengjie; Zang, Jun; Xu, Chaofa; Zheng, Ming-Sen; Dong, Quan-Feng; Sun, Daohua; Zheng, Nanfeng

    2013-07-01

    spheres are promising catalyst supports for oxygen reduction reaction. And yolk-shell structured Au@HCS nanoreactors with ultrathin shells exhibit high catalytic activity and recyclability in confined catalysis. Electronic supplementary information (ESI) available: Synthesis of ellipsoid-shaped α-Fe2O3@SiO2 core-shell nanoparticles; preparation of HCS-260/sulfur composites; electrochemical measurement of lithium-sulfur batteries; SEM image of SiO2@RF spheres; TEM image of SiO2@RF spheres obtained by using cetyltrimethylammonium chloride; TEM images of SiO2@RF spheres with different diameters of SiO2 cores; TEM images for investigating the roles of CTAB; N2 sorption isotherms and pore size distributions of HCS-260 and HGS-260; TEM image and EDX spectrum of HCS-260/sulfur composites; cycling performance of lithium-sulfur batteries with HCS-260/sulfur cathode; HRTEM image of HGS-260; XRD patterns of Pt/HGS, Pt/HCS, and Pt/Vulcan-XC-72; TEM image of Au@SiO2 UV-vis spectra of the gradual reduction of 4-nitrophenol with Au@HCS-II, Au@HCS-III, and Au@HCS-IV. See DOI: 10.1039/c3nr01723k

  12. On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules.

    Science.gov (United States)

    Bhattacharjee, Rituparna; Roy, Ram Kinkar

    2014-10-28

    In the present study, trends of electronic contribution to molecular electrostatic potential [Vel(r¯)(r=0)], Fukui potential [v(+)f|(r=0) and v(-)f|(r=0)] and hardness potential derivatives [Δ(+)h(k) and Δ(-)h(k)] for isolated atoms as well as atoms in molecules are investigated. The generated numerical values of these three reactivity descriptors in these two electronically different situations are critically analyzed through the relevant formalism. Values of Vel(r¯) (when r → 0, i.e., on the nucleus) are higher for atoms in molecules than that of isolated atoms. In contrast, higher values of v(+)|(r=0) and v(-)|(r=0) are observed for isolated atoms compared to the values for atoms in a molecule. However, no such regular trend is observed for the Δ(+)h(k) and Δ(-)h(k) values, which is attributed to the uncertainty in the Fukui function values of atoms in molecules. The sum of Fukui potential and the sum of hardness potential derivatives in molecules are also critically analyzed, which shows the efficacy of orbital relaxation effects in quantifying the values of these parameters. The chemical consequence of the observed trends of these descriptors in interpreting electron delocalization, electronic relaxation and non-negativity of atomic Fukui function indices is also touched upon. Several commonly used molecules containing carbon as well as heteroatoms are chosen to make the investigation more insightful.

  13. Theoretical atomic physics

    CERN Document Server

    Friedrich, Harald

    2017-01-01

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

  14. Atomic diffusion in stars

    CERN Document Server

    Michaud, Georges; Richer, Jacques

    2015-01-01

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

  15. Observation of dynamic atom-atom correlation in liquid helium in real space.

    Science.gov (United States)

    Dmowski, W; Diallo, S O; Lokshin, K; Ehlers, G; Ferré, G; Boronat, J; Egami, T

    2017-05-04

    Liquid 4 He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4 He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

  16. Observation of dynamic atom-atom correlation in liquid helium in real space

    Science.gov (United States)

    Dmowski, W.; Diallo, S. O.; Lokshin, K.; Ehlers, G.; Ferré, G.; Boronat, J.; Egami, T.

    2017-05-01

    Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon by experiment and theory. Nevertheless, details of the microscopic state, including dynamic atom-atom correlations in the superfluid state, are not fully understood. Here using a technique of neutron dynamic pair-density function (DPDF) analysis we show that 4He atoms in the Bose-Einstein condensate have environment significantly different from uncondensed atoms, with the interatomic distance larger than the average by about 10%, whereas the average structure changes little through the superfluid transition. DPDF peak not seen in the snap-shot pair-density function is found at 2.3 Å, and is interpreted in terms of atomic tunnelling. The real space picture of dynamic atom-atom correlations presented here reveal characteristics of atomic dynamics not recognized so far, compelling yet another look at the phenomenon.

  17. Directed assembly of bifunctional silica-iron oxide nanocomposite with open shell structure.

    Science.gov (United States)

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

    2014-10-08

    The synthesis of nanocomposite with controlled surface morphology plays a key role for pollutant removal from aqueous environments. The influence of the molecular size of the polyelectrolyte in synthesizing silica-iron oxide core-shell nanocomposite with open shell structure was investigated by using dynamic light scattering, atomic force microscopy, and quartz crystal microbalance with dissipation (QCM-D). Here, poly(diallydimethylammonium chloride) (PDDA) was used to promote the attachment of iron oxide nanoparticles (IONPs) onto the silica surface to assemble a nanocomposite with magnetic and catalytic bifunctionality. High molecular weight PDDA tended to adsorb on silica colloid, forming a more extended conformation layer than low molecular weight PDDA. Subsequent attachment of IONPs onto this extended PDDA layer was more randomly distributed, forming isolated islands with open space between them. By taking amoxicillin, an antibiotic commonly found in pharmaceutical waste, as the model system, better removal was observed for silica-iron oxide nanocomposite with a more extended open shell structure.

  18. 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.

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

    Science.gov (United States)

    Niu, Zhiqiang; Cui, Fan; Yu, Yi; Becknell, Nigel; Sun, Yuchun; Khanarian, Garo; Kim, Dohyung; Dou, Letian; Dehestani, Ahmad; Schierle-Arndt, Kerstin; Yang, Peidong

    2017-05-31

    Copper nanowire networks are considered a promising alternative to indium tin oxide as transparent conductors. The fast degradation of copper in ambient conditions, however, largely overshadows their practical applications. Here, we develop the synthesis of ultrathin Cu@Au core-shell nanowires using trioctylphosphine as a strong binding ligand to prevent galvanic replacement reactions. The epitaxial overgrowth of a gold shell with a few atomic layers on the surface of copper nanowires can greatly enhance their resistance to heat (80 °C), humidity (80%) and air for at least 700 h, while their optical and electrical performance remained similar to the original high-performance copper (e.g., sheet resistance 35 Ω sq-1 at transmittance of ∼89% with a haze factor <3%). The precise engineering of core-shell nanostructures demonstrated in this study offers huge potential to further explore the applications of copper nanowires in flexible and stretchable electronic and optoelectronic devices.

  20. 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.

  1. Synthesis and characterization of PEG-iron oxide core-shell composite nanoparticles for thermal therapy.

    Science.gov (United States)

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

    2013-12-01

    In this study, core-shell nanoparticles were developed to achieve thermal therapy that can ablate cancer cells in a remotely controlled manner. The core-shell nanoparticles were prepared using atomic transfer radical polymerization (ATRP) to coat iron oxide (Fe3O4) nanoparticles with a poly(ethylene glycol) (PEG) based polymer shell. The iron oxide core allows for the remote heating of the particles in an alternating magnetic field (AMF). The coating of iron oxide with PEG was verified through Fourier transform infrared spectroscopy and thermal gravimetric analysis. A thermoablation (55°C) study was performed on A549 lung carcinoma cells exposed to nanoparticles and over a 10 min AMF exposure. The successful thermoablation of A549 demonstrates the potential use of polymer coated particles for thermal therapy. © 2013.

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

    Indian Academy of Sciences (India)

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

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

    Science.gov (United States)

    Bodo, Enrico

    2015-09-03

    By using ab initio molecular dynamics, we investigate the solvent shell structure of La(3+) and Lu(3+) ions immersed in two ionic liquids, ethylammonium nitrate (EAN) and its hydroxy derivative (2-ethanolammonium nitrate, HOEAN). We provide the first study of the coordination properties of these heavy metal ions in such a highly charged nonacqueous environment. We find, as expected, that the coordination in the liquid is mainly due to nitrate anions and that, due to the bidentate nature of the ligand, the complexation shell of the central ion has a nontrivial geometry and a coordination number in terms of nitrate molecules that apparently violates the decrease of ionic radii along the lanthanides series, since the smaller Lu(3+) ion seems to coordinate six nitrate molecules and the La(3+) ion only five. A closer inspection of the structural features obtained from our calculations shows, instead, that the first shell of oxygen atoms is more compact for Lu(3+) than for La(3+) and that the former coordinates 8 oxygen atoms while the latter 10 in accord with the typical lanthanide's trend along the series and that their first solvation shells have a slight irregular and complex geometrical pattern. When moving to the HOEAN solutions, we have found that the solvation of the central ion is possibly also due to the cation itself through the oxygen atom on the side chain. Also, in this liquid, the coordination numbers in terms of oxygen atoms in both solvents is 10 for La(3+) and 8 for Lu(3+).

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

    Science.gov (United States)

    Yang, Chungja

    3D particle-assemblies. Chitosan (amino sugar) and poly-L-lysine (amino acid, PLL) CSnp shell materials were custom synthesized around a hollow (gas) core by utilizing a phospholipid micelle around a volatile fluid templating for the shell material; this approach proves to be novel and distinct from conventional core-shell models wherein a conductive core is coated with an insulative shell. Experiments were conducted within a 100 nl chamber housing 100 um wide Ti/Au quadrapole electrodes spaced 25 um apart. Frequencies from 100kHz to 80MHz at fixed local field of 5Vpp were tested with 10-5 and 10-3 S/m medium conductivities for 25 seconds. Dielectrophoretic responses of ~220 and 340(or ~400) nm chitosan or PLL CSnp were compiled as a function of medium conductivity, size and shell material. Experiments further examined shell thickness and particle concentration (chapter 6) dependencies on ~530 nm CSnp dielectrophoretic and electrorotational responses with ~30nm and ~80 nm shell thicknesses and at particle concentration count rates of 5000 +/- 500, 10000 +/- 500, and 15000 +/- 500 counts per second. Using similar experimental conditions, both dielectrophoretic and electrorotational CSnp responses were compiled versus frequency, shell thickness, and particle concentration. Knowledge gained from this study includes a unique resonance-like dielectrophoretic and electrorotational spectrum, which is significantly distinct from other cells and particles. CSnp dielectric properties were then calculated by parametrically fitting parameters to an existing core-shell model. The optimum conductivity and relative permittivity for the core and the shell are 1E-15 S/m, 1, 0.6 S/m, and 90, respectively. These properties can be exploited to rapidly assemble these unique core-shell particles for future structural color production in fabrics, vehicle, and wall painting.

  5. Topological defects in cholesteric liquid crystal shells.

    Science.gov (United States)

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

    2016-11-23

    We investigate experimentally and numerically the defect configurations emerging when a cholesteric liquid crystal is confined to a spherical shell. We uncover a rich scenario of defect configurations, some of them non-existent in nematic shells, where new types of defects are stabilized by the helical ordering of the liquid crystal. In contrast to nematic shells, here defects are not simple singular points or lines, but have a large structured core. Specifically, we observe five different types of cholesteric shells. We study the statistical distribution of the different types of shells as a function of the two relevant geometrical dimensionless parameters of the system. By playing with these parameters, we are able to induce transitions between different types of shells. These transitions involve interesting topological transformations in which the defects recombine to form new structures. Surprisingly, the defects do not approach each other by taking the shorter distance route (geodesic), but by following intricate paths.

  6. Mussel Shell Impaction in the Esophagus

    Directory of Open Access Journals (Sweden)

    Sunmin Kim

    2013-03-01

    Full Text Available Mussels are commonly used in cooking around the world. The mussel shell breaks more easily than other shells, and the edge of the broken mussel shell is sharp. Impaction can ultimately cause erosion, perforation and fistula. Aside from these complications, the pain can be very intense. Therefore, it is essential to verify and remove the shell as soon as possible. In this report we describe the process of diagnosing and treating mussel shell impaction in the esophagus. Physicians can overlook this unusual foreign body impaction due to lack of experience. When physicians encounter a patient with severe chest pain after a meal with mussels, mussel shell impaction should be considered when diagnosing and treating the patient.

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

    Directory of Open Access Journals (Sweden)

    M. Hennes

    2014-04-01

    Full Text Available Magnetically anisotropic as well as magnetic core–shell nanoparticles (CS-NPs with controllable properties are highly desirable in a broad range of applications. With this background, a setup for the synthesis of heterostructured magnetic core–shell nanoparticles, which relies on (optionally pulsed DC plasma gas condensation has been developed. We demonstrate the synthesis of elemental nickel nanoparticles with highly tunable sizes and shapes and Ni@Cu CS-NPs with an average shell thickness of 10 nm as determined with scanning electron microscopy, high-resolution transmission electron microscopy and energy-dispersive X-ray spectroscopy measurements. An analytical model that relies on classical kinetic gas theory is used to describe the deposition of Cu shell atoms on top of existing Ni cores. Its predictive power and possible implications for the growth of heterostructured NP in gas condensation processes are discussed.

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

    Science.gov (United States)

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

    2014-07-01

    Continuous synthesis of Pd@Pt and Cu@Ag core-shell nanoparticles was performed using flow processes including microwave-assisted Pd (or Cu) core-nanoparticle formation followed by galvanic displacement with a Pt (or Ag) shell. The core-shell structure and the nanoparticle size were confirmed using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) observation and EDS elemental mapping. The Pd@Pt nanoparticles with a particle size of 6.5 +/- 0.6 nm and a Pt shell thickness of ca. 0.25 nm were synthesized with appreciably high Pd concentration (Pd 100 mM). This shell thickness corresponds to one atomic layer thickness of Pt encapsulating the Pd core metal. The particle size of core Pd was controlled by tuning the initial concentrations of Na2[PdCl4] and PVP. Core-shell Cu@Ag nanoparticles with a particle size of 90 +/- 35 nm and an Ag shell thickness of ca. 3.5 nm were obtained using similar sequential reactions. Oxidation of the Cu core was suppressed by the coating of Cu nanoparticles with the Ag shell.Continuous synthesis of Pd@Pt and Cu@Ag core-shell nanoparticles was performed using flow processes including microwave-assisted Pd (or Cu) core-nanoparticle formation followed by galvanic displacement with a Pt (or Ag) shell. The core-shell structure and the nanoparticle size were confirmed using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) observation and EDS elemental mapping. The Pd@Pt nanoparticles with a particle size of 6.5 +/- 0.6 nm and a Pt shell thickness of ca. 0.25 nm were synthesized with appreciably high Pd concentration (Pd 100 mM). This shell thickness corresponds to one atomic layer thickness of Pt encapsulating the Pd core metal. The particle size of core Pd was controlled by tuning the initial concentrations of Na2[PdCl4] and PVP. Core-shell Cu@Ag nanoparticles with a particle size of 90 +/- 35 nm and an Ag shell thickness of ca. 3.5 nm were obtained using similar sequential

  9. Congruences involving $\\binom{4k}{2k}$ and $\\binom{3k}k$

    OpenAIRE

    Sun, Zhi-Hong

    2011-01-01

    Let $p$ be a prime greater than 3. In the paper we mainly determine $\\sum_{k=0}^{[p/4]}\\binom{4k}{2k}(-1)^k$, $\\sum_{k=0}^{[p/3]}\\binom{3k}k, \\sum_{k=0}^{[p/3]}\\binom{3k}k(-1)^k$ and $\\sum_{k=0}^{[p/3]}\\binom{3k}k(-3)^k$ modulo $p$, where $[x]$ is the greatest integer not exceeding $x$.

  10. Fossorial origin of the turtle shell

    OpenAIRE

    Lyson, Tyler R.; Rubidge, Bruce S.; Torsten M Scheyer; de Queiroz, Kevin; Schachner, Emma R.; Smith, Roger M.H; Botha-Brink, Jennifer; Bever, G.S.

    2016-01-01

    The turtle shell is a complex structure that currently serves a largely protective function in this iconically slow-moving group [1]. Developmental [2, 3] and fossil [4-7] data indicate that one of the first steps toward the shelled body plan was broadening of the ribs (approximately 50 my before the completed shell [5]). Broadened ribs alone provide little protection [8] and confer significant locomotory [9, 10] and respiratory [9, 11] costs. They increase thoracic rigidity [8], which decrea...

  11. Clustering aspects and the shell model

    OpenAIRE

    Arima, Akito

    2004-01-01

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

  12. Indentation of pressurized viscoplastic polymer spherical shells

    DEFF Research Database (Denmark)

    Tvergaard, Viggo; Needleman, A.

    2016-01-01

    The indentation response of polymer spherical shells is investigated. Finite deformation analyses are carried out with the polymer characterized as a viscoelastic/viscoplastic solid. Both pressurized and unpressurized shells are considered. Attention is restricted to axisymmetric deformations...... large strains are attained. The transition from an indentation type mode of deformation to a structural mode of deformation involving bending that occurs as the indentation depth increases is studied. The results show the effects of shell thickness, internal pressure and polymer constitutive...

  13. Integrable structure in discrete shell membrane theory.

    Science.gov (United States)

    Schief, W K

    2014-05-08

    We present natural discrete analogues of two integrable classes of shell membranes. By construction, these discrete shell membranes are in equilibrium with respect to suitably chosen internal stresses and external forces. The integrability of the underlying equilibrium equations is proved by relating the geometry of the discrete shell membranes to discrete O surface theory. We establish connections with generalized barycentric coordinates and nine-point centres and identify a discrete version of the classical Gauss equation of surface theory.

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

    Science.gov (United States)

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

    2009-10-02

    High-convergence, hohlraum-driven implosions of double-shell capsules using mid-Z (SiO2) inner shells have been performed on the OMEGA laser facility [T. R. Boehly, Opt. Commun. 133, 495 (1997)]. These experiments provide an essential extension of the results of previous low-Z (CH) double-shell implosions [P. A. Amendt, Phys. Rev. Lett. 94, 065004 (2005)] to materials of higher density and atomic number. Analytic modeling, supported by highly resolved 2D numerical simulations, is used to account for the yield degradation due to interfacial atomic mixing. This extended experimental database from OMEGA enables a validation of the mix model, and provides a means for quantitatively assessing the prospects for high-Z double-shell implosions on the National Ignition Facility [Paisner, Laser Focus World 30, 75 (1994)].

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

    Science.gov (United States)

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

    2017-11-01

    A family of Au n @(ZnO)42 (n = 6 -16) cluster-assembled nanoparticles are studied by density-functional theory calculations. Different sizes, up to 100 atoms, are considered for several compositions. For each n, we design and construct a converged model for Au n @(ZnO)42 to analyze the coupling effect of adding Au atoms into ZnO outer shell. Among the optimized geometrical structures, we find that Au13 @(ZnO)42 has the most stable structure. The electronic properties, optical properties and catalytic activity of the Au13 @(ZnO)42 core-shell have been systematically investigated, which also shows consistency with the experimental results. It is found that forming a core-shell structure enhances the visible-light photocatalytic ability and Au13 @(ZnO)42 core-shell structure has a high catalytic efficiency for the reaction CO oxidation.

  16. Precision spectroscopy on atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Parthey, Christian Godehard

    2011-12-15

    This Thesis reports on three measurements involving the 1S-2S transition in atomic hydrogen and deuterium conducted on a 5.8 K atomic beam. The transition is excited Doppler-free via two counter-propagating photons near 243 nm. The H/D isotope shift has been determined as {delta}{integral}{sub exp}=670 994 334 606(15) Hz. Comparing with the theoretical value for the isotope shift, excluding the leading nuclear size effect, {delta}{integral}{sub th}=670 999 566.90(66)(60) kHz we confirm, twice more accurate, the rms charge radius difference of the deuteron and the proton as left angle r{sup 2} right angle {sub d}- left angle r{sup 2} right angle {sub p}=3.82007(65) fm{sup 2} and the deuteron structure radius r{sub str}=1.97507(78) fm. The frequency ratio of the 1S-2S transition in atomic hydrogen to the cesium ground state hyperfine transition provided by the mobile cesium fountain clock FOM is measured to be {integral}{sub 1S-2S}=2 466 061 413 187 035 (10) Hz which presents a fractional frequency uncertainty of 4.2 x 10{sup -15}. The second absolute frequency measurement of the 1S-2S transition in atomic hydrogen presents the first application of a 900 km fiber link between MPQ and Physikalisch- Technische Bundesanstalt (PTB) in Braunschweig which we have used to calibrate the MPQ hydrogen maser with the stationary cesium fountain clock CSF1 at PTB. With the result of {integral}{sub 1S-2S}=2 466 061 413 187 017 (11) Hz we can put a constraint on the electron Lorentz boost violating coefficients 0.95c{sub (TX)}-0.29c{sub (TY)}-0.08 c{sub (TZ)}=(2.2{+-}1.8) x 10{sup -11} within the framework of minimal standard model extensions. We limit a possible drift of the strong coupling constant through the ratio of magnetic moments at a competitive level ({partial_derivative})/({partial_derivative}t)ln ({mu}{sub Cs})/({mu}{sub B})=-(3.0{+-}1.2) x 10{sup -15} yr{sup -1}.

  17. Single-atom nanoelectronics

    CERN Document Server

    Prati, Enrico

    2013-01-01

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

  18. Physics of the atom

    CERN Document Server

    Wehr, Russell M; Adair, Thomas W

    1984-01-01

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

  19. Study of atomic clusters in neutron irradiated reactor pressure vessel surveillance samples by extended X-ray absorption fine structure spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cammelli, S. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Fachbereich C - Physik, Bergische Universitaet Wuppertal, Gauss-Str. 20, 42097 Wuppertal (Germany)], E-mail: Sebastiano.cammelli@psi.ch; Degueldre, C.; Kuri, G.; Bertsch, J. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Luetzenkirchen-Hecht, D.; Frahm, R. [Fachbereich C - Physik, Bergische Universitaet Wuppertal, Gauss-Str. 20, 42097 Wuppertal (Germany)

    2009-03-31

    Copper and nickel impurities in nuclear reactor pressure vessel (RPV) steel can form nano-clusters, which have a strong impact on the ductile-brittle transition temperature of the material. Thus, for control purposes and simulation of long irradiation times, surveillance samples are submitted to enhanced neutron irradiation. In this work, surveillance samples from a Swiss nuclear power plant were investigated by extended X-ray absorption fine structure spectroscopy (EXAFS). The density of Cu and Ni atoms determined in the first and second shells around the absorber is affected by the irradiation and temperature. The comparison of the EXAFS data at Cu and Ni K-edges shows that these elements reside in arrangements similar to bcc Fe. However, the EXAFS analysis reveals local irradiation damage in the form of vacancy fractions, which can be determined with a precision of {approx}5%. There are indications that the formation of Cu and Ni clusters differs significantly.

  20. Diffraction of an atomic beam by standing-wave radiation

    Science.gov (United States)

    Moskowitz, P. E.; Gould, P. L.; Atlas, S. R.; Pritchard, D. E.

    1983-08-01

    Preliminary experimental results are reported for the deflection of Na atoms in an atomic beam by a transverse standing-wave laser field whose frequency is tuned between the two ground-state hyperfine components of the D2 line. In contrast to the two experiments done previously, a splitting of the beam into two symmetric peaks whose separation increases with the electric-field is seen here. In addition, the data show evidence for atomic diffraction: a tendency for scattered atoms to acquire momentum in multiples of 2h(bar)k.