WorldWideScience

Sample records for atomic shells n

  1. Atomic inner-shell transitions

    Science.gov (United States)

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

    1984-01-01

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

  2. Atomic processes in nova shells

    International Nuclear Information System (INIS)

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

  3. Inner-shell Photoionization Studies of Neutral Atomic Nitrogen

    Science.gov (United States)

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

    2016-02-01

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

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

    OpenAIRE

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

    2011-01-01

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

  5. The Atomic Regular Polyhedron Electronic Shell

    Directory of Open Access Journals (Sweden)

    Zilong Kong

    2013-10-01

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

  6. 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.

  7. Inner-shell excitation of alkali-metal atoms

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  9. Atomic-level models of the bacterial carboxysome shell

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  13. Double K-shell photoionization of atomic beryllium

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-11-15

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

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

    Science.gov (United States)

    Amusia, Miron; Chernysheva, Larissa

    2016-05-01

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

  15. Multiphoton inner-shell ionization of the carbon atom

    OpenAIRE

    Rey, H. F.; Hart, H W

    2015-01-01

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

  16. Scattering of low-energy neutrinos on atomic shells

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

    Kheifets, A S

    2013-01-01

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

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

    Indian Academy of Sciences (India)

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

    2004-06-01

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

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

    Science.gov (United States)

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

    2016-05-01

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

  20. Multiphoton inner-shell ionization of the carbon atom

    CERN Document Server

    Rey, H F

    2015-01-01

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

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

    CERN Document Server

    Amusia, M Ya

    2015-01-01

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

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

    International Nuclear Information System (INIS)

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

  3. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

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

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

    Directory of Open Access Journals (Sweden)

    Cakirli R.B.

    2014-03-01

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

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

    International Nuclear Information System (INIS)

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

  6. On-Shell Diagrams for N = 8 Supergravity Amplitudes

    CERN Document Server

    Heslop, Paul

    2016-01-01

    We define recursion relations for N = 8 supergravity amplitudes using a generalization of the on-shell diagrams developed for planar N = 4 super-Yang-Mills. Although the recursion relations generically give rise to non-planar on-shell diagrams, we show that at tree-level the recursion can be chosen to yield only planar diagrams, the same diagrams occurring in the planar N = 4 theory. This implies non-trivial identities for non-planar diagrams as well as interesting relations between the N = 4 and N = 8 theories. We show that the on-shell diagrams of N = 8 supergravity obey equivalence relations analogous to those of N = 4 super-Yang-Mills, and we develop a systematic algorithm for reading off Grassmannian integral formulae directly from the on-shell diagrams. We also show that the 1-loop 4-point amplitude of N = 8 supergravity can be obtained from on-shell diagrams.

  7. Nuclear shell energies and deformations in atomic mass formula

    International Nuclear Information System (INIS)

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

  8. Off-shell N = 2 tensor supermultiplets

    International Nuclear Information System (INIS)

    A multiplet calculus is presented for an arbitrary number n of N = 2 tensor supermultiplets. For rigid supersymmetry the known couplings are reproduced. In the superconformal case the target spaces parametrized by the scalar fields are cones over (3n-1)-dimensional spaces encoded in homogeneous SU(2) invariant potentials, subject to certain constraints. The coupling to conformal supergravity enables the derivation of a large class of supergravity Lagrangians with vector and tensor multiplets and hypermultiplets. Dualizing the tensor fields into scalars leads to hypermultiplets with hyperkaehler or quaternion-Kaehler target spaces with at least n abelian isometries. It is demonstrated how to use the calculus for the construction of Lagrangians containing higher-derivative couplings of tensor multiplets. For the application of the c-map between vector and tensor supermultiplets to Lagrangians with higher-order derivatives, an off-shell version of this map is proposed. Various other implications of the results are discussed. As an example an elegant derivation of the classification of 4-dimensional quaternion-Kaehler manifolds with two commuting isometries is given

  9. 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.

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    OpenAIRE

    Khusnutdinov, Nail

    2014-01-01

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

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

    Science.gov (United States)

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

    2016-02-01

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

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

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

    Swann, A R; Gribakin, G F

    2015-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    OpenAIRE

    Verma, Punita

    2010-01-01

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

  4. UV-assisted room temperature gas sensing of GaN-core/ZnO-shell nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sunghoon; Ko, Hyunsung; Kim, Soohyun; Lee, Chongmu [Inha University, Incheon (Korea, Republic of)

    2014-11-15

    GaN is highly sensitive to low concentrations of H{sub 2} in ambient air and is almost insensitive to most other common gases. However, enhancing the sensing performance and the detection limit of GaN is a challenge. This study examined the H{sub 2}-gas-sensing properties of GaN nanowires encapsulated with ZnO. GaN-core/ZnO-shell nanowires were fabricated by using a two-step process comprising the thermal evaporation of GaN powders and the atomic layer deposition of ZnO. The core-shell nanowires ranged from 80 to 120 nm in diameter and from a few tens to a few hundreds of micrometers in length, with a mean shell layer thickness of ∼8 nm. Multiple-networked pristine GaN nanowire and ZnO-encapsulated GaN (or GaN-core/ZnO-shell) nanowire sensors showed responses of 120 - 147% and 179 - 389%, respectively, to 500 - 2,500 ppm of H{sub 2} at room temperature under UV (254 nm) illumination. The underlying mechanism of the enhanced response of the GaN nanowire to H{sub 2} gas when using ZnO encapsulation and UV irradiation is discussed.

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

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder

    1987-01-01

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

  6. 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...

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

    International Nuclear Information System (INIS)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-08-28

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

  9. 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.

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

    International Nuclear Information System (INIS)

    Conductive TiN shells have been deposited on SiO2 nanoparticles (10–20 nm primary particle size) with fluidized bed atomic layer deposition using TDMAT and NH3 as precursors. Analysis of the powders confirms that shell growth saturates at approximately 0.4 nm/cycle at TDMAT doses of >1.2 mmol/g of powder. TEM and XPS analysis showed that all particles were coated with homogeneous shells containing titanium. Due to the large specific surface area of the nanoparticles, the TiN shells rapidly oxidize upon exposure to air. Electrical measurements show that the partially oxidized shells are conducting, with apparent resistivity of approximately ∼11 kΩ cm. The resistivity of the powders is strongly influenced by the NH3 dose, with a smaller dose giving an order-of-magnitude higher resistivity

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

    Matthews, L D; Bertre, T Le

    2015-01-01

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

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

    CERN Document Server

    Talukder, M R

    2011-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1982-01-01

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

  16. 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)

  17. 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.

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

    Lee, Jeongwon; Noh, Jiho; Mun, Jongchul

    2014-01-01

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

  20. 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)

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

    International Nuclear Information System (INIS)

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

  2. Study of the N=40 shell by using Coulomb excitation

    International Nuclear Information System (INIS)

    Two Coulomb excitation experiments on neutron rich exotic nuclei have been performed at GANIL. They allowed the measurement of the reduced transition probability B(E2) (from ground state to first excited state) of some nuclei around N = 40. This number, 40, is a half-magic number in the shell model. For nuclei with an important neutron excess, it is predicted that the shell closure is stronger at N = 40. The B(E2) is a good tool for testing this growing. We have measured, by using the LISE3 spectrometer and a γ multidetector, B(E2) of 68Ni, 66Ni and 72Zn, unknown till now. We have used for the first time segmented germanium 'clovers' detector, for photon detection (v/c∼0.3). Results confirm the strong shell effect for 68Ni. Indeed 68Ni was shown to be the Nickel isotope with the lowest value of B(E2), and hence the most rigid isotope. Nevertheless it seems that the shell effect at N = 40 decreases rapidly, for other isotopes very close to 68Ni(Z = 28) and N = 40). (authors)

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

    International Nuclear Information System (INIS)

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

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

    Science.gov (United States)

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

    2014-07-28

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

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

    Amusia, M Ya

    2007-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-05-14

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

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

    International Nuclear Information System (INIS)

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

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

    Science.gov (United States)

    Ikeya, Motoji; Miyajima, Junko; Okajima, Shunzo

    1984-09-01

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

  10. 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.

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

    CERN Document Server

    Tomza, Michał

    2013-01-01

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

  12. 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.

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

    International Nuclear Information System (INIS)

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

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

    DEFF Research Database (Denmark)

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

    2016-01-01

    We present a facile synthesis protocol for atomically thin platinum (Pt) shells on top of gold (Au) nanoparticles (NPs) (Au@PtNPs) in one pot under mild conditions. The Au@PtNPs exhibited remarkable stability (> 2 years) at room temperature. The synthesis, bimetallic nanostructures and catalytic...... electrooxidation of sustainable fuels (i.e. formic acid, methanol and ethanol), and selective hydrogenation of benzene derivatives. Especially high activity was achieved for formic acid oxidation, 549 mA (mgPt)−1 (at 0.6 V vs. SCE), which is 3.5 fold higher than a commercial < 5 nm PtNP catalyst. Excellent...

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

    CERN Document Server

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

    2015-01-01

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

  16. Neutron excitations across the N=86 superdeformed shell gap

    International Nuclear Information System (INIS)

    Based on data obtained with the Eurogam spectrometer, a systematic investigation of superdeformed bands built on single neutron excitations across the N=86 shell gap has been carried out for gadolinium, terbium, and dysprosium isotopes with 85 ≤ N ≤87. In each nucleus, pairs of bands corresponding to degenerate signature partners have been observed. The effective alignment is constant and close to zero for many of the bands, in agreement with cranked shell model calculations for the (402)5/2 and (514)9/2 orbitals. Several bands exhibit non-zero alignments, indicating in some cases the influence of pairing correlations even at high spin and in other cases the occupancy of the (521)3/2 orbital. (authors). 12 refs., 5 figs., 2 tabs

  17. Neutron excitations across the N=86 superdeformed shell gap

    Energy Technology Data Exchange (ETDEWEB)

    De France, G.; Haas, B.; Beck, F.A.; Curien, D.; Duchene, G.; Kharraja, B.; Merdinger, J.C.; Petrache, C.M.; Prevost, D.; Vivien, J.P. [Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires; Ragnarsson, I. [Lund Univ. (Sweden). Dept. of Mathematical Physics; Twin, P.J.; Beausang, C.W.; Clarke, S.; Dagnall, P.J.; Forbes, S.; Forsyth, P.D.; Sharpey-Schafer, J.F. [Liverpool Univ. (United Kingdom). Oliver Lodge Lab.; Fallon, P. [Lawrence Berkeley Lab., CA (United States); Flibotte, S. [Strasbourg-1 Univ., 67 (France). Centre de Recherches Nucleaires]|[McMaster Univ., Hamilton, ON (Canada). Dept. of Physics]|[Atomic Energy of Canada Ltd., Chalk River, ON (Canada). Chalk River Nuclear Labs.; Lisle, J.C. [Manchester Univ. (United Kingdom). Schuster Lab.; Simpson, J. [Daresbury Lab. (United Kingdom); Zuber, K. [Institute of Nuclear Physics, Cracow (Poland)

    1994-12-31

    Based on data obtained with the Eurogam spectrometer, a systematic investigation of superdeformed bands built on single neutron excitations across the N=86 shell gap has been carried out for gadolinium, terbium, and dysprosium isotopes with 85 {<=} N {<=}87. In each nucleus, pairs of bands corresponding to degenerate signature partners have been observed. The effective alignment is constant and close to zero for many of the bands, in agreement with cranked shell model calculations for the (402)5/2 and (514)9/2 orbitals. Several bands exhibit non-zero alignments, indicating in some cases the influence of pairing correlations even at high spin and in other cases the occupancy of the (521)3/2 orbital. (authors). 12 refs., 5 figs., 2 tabs.

  18. Probing the N=50 shell gap near $^{78}$Ni

    CERN Multimedia

    Reiter, P; Blazhev, A A; Franchoo, S; Hadinia, B; Raabe, R; Diriken, J V J; Angus, L J

    An experiment is proposed to study the properties of low-lying states close to the N=50 shell gap by single nucleon transfer. The d($^{78}$Zn,p)$\\,^{79}$Zn reaction will be studied using the T-REX silicon-detector array coupled to the MINIBALL $\\gamma$-ray spectrometer. A $^{78}$Zn beam intensity of 5 x 10$^{4}$ pps is expected. The isotope $^{79}$Zn, with Z=30 and N =49, lies two protons above and one neutron below the double-shell closure at $^{78}$Ni. Determination of the single-particle structure of low-lying states in $^{79}$Zn will provide valuable information about the persistence of the N=50 shell gap in this neutron-rich region. In particular the behaviour of the g$_{9/2}$ and d$_{5/2}$ orbitals will be investigated. In total, 27 shifts of beam time are requested. This experiment is envisaged to be the first of a series of measurements on progressively more neutron-rich Zn isotopes.

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

    Science.gov (United States)

    Pederson, Mark R

    2015-02-14

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

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

    CERN Document Server

    Pederson, Mark R

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-03-31

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

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

    Directory of Open Access Journals (Sweden)

    Huang Zhenqiang and Huang Yuxiang

    2013-10-01

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

  4. Evolution of $N = 28$ shell closure in relativistic continuum Hartree-Bogoliubov theory

    CERN Document Server

    Xia, Xuewei

    2015-01-01

    The $N = 28$ shell gap in sulfur, argon, calcium and titanium isotopes is investigated in the framework of relativistic continuum Hartree-Bogoliubov (RCHB) theory. The evolutions of neutron shell gap, separation energy, single particle energy and pairing energy are analyzed, and it is found that $N = 28$ shell gap is quenched in sulfur isotopes but persists in argon, calcium and titanium isotopes. The evolution of $N = 28$ shell gap in $N = 28$ isotonic chain is discussed, and the erosion of $N = 28$ shell gap is understood with the evolution of potential with proton number.

  5. Unique Challenges Accompany Thick-Shell CdSe/nCdS (n > 10) Nanocrystal Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y; Marchuk, K; Abraham, R; Sampat, S; Abraham, R.; Fang, N; Malko, AV; Vela, J

    2011-12-23

    Thick-shell CdSe/nCdS (n {ge} 10) nanocrystals were recently reported that show remarkably suppressed fluorescence intermittency or 'blinking' at the single-particle level as well as slow rates of Auger decay. Unfortunately, whereas CdSe/nCdS nanocrystal synthesis is well-developed up to n {le} 6 CdS monolayers (MLs), reproducible syntheses for n {ge} 10 MLs are less understood. Known procedures sometimes result in homogeneous CdS nucleation instead of heterogeneous, epitaxial CdS nucleation on CdSe, leading to broad and multimodal particle size distributions. Critically, obtained core/shell sizes are often below those desired. This article describes synthetic conditions specific to thick-shell growth (n {ge} 10 and n {ge} 20 MLs) on both small (sub2 nm) and large (>4.5 nm) CdSe cores. We find added secondary amine and low concentration of CdSe cores and molecular precursors give desired core/shell sizes. Amine-induced, partial etching of CdSe cores results in apparent shell-thicknesses slightly beyond those desired, especially for very-thick shells (n {ge} 20 MLs). Thermal ripening and fast precursor injection lead to undesired homogeneous CdS nucleation and incomplete shell growth. Core/shells derived from small CdSe (1.9 nm) have longer PL lifetimes and more pronounced blinking at single-particle level compared with those derived from large CdSe (4.7 nm). We expect our new synthetic approach will lead to a larger throughput of these materials, increasing their availability for fundamental studies and applications.

  6. Gauged N=2 off-shell supergravity in five dimensions

    International Nuclear Information System (INIS)

    We present some multiplets of N=2 off-shell supergravity in five dimensions. One is the Super Yang-Mills multiplet, another one is the linear multiplet. The latter one is used to establish a general action formula from which we derive an action for the Super Yang-Mills multiplet. The Super Yang-Mills multiplet is used to construct the nonlinear multiplet with gauged SU(2). This nonlinear multiplet and the action formula for the Yang-Mills multiplet enable us to write down an SU(2) gauged supergravity which we finally truncate to arrive at gauged supergravity with gauge group SO(2). (author)

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

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

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  11. Cu charge radii reveal a weak sub-shell effect at N =40

    Science.gov (United States)

    Bissell, M. L.; Carette, T.; Flanagan, K. T.; Vingerhoets, P.; Billowes, J.; Blaum, K.; Cheal, B.; Fritzsche, S.; Godefroid, M.; Kowalska, M.; Krämer, J.; Neugart, R.; Neyens, G.; Nörtershäuser, W.; Yordanov, D. T.

    2016-06-01

    Collinear laser spectroscopy on Cu-7558 isotopes was performed at the CERN-ISOLDE radioactive ion beam facility. In this paper we report on the isotope shifts obtained from these measurements. State-of-the-art atomic physics calculations have been undertaken in order to determine the changes in mean-square charge radii δ A ,A' from the observed isotope shifts. A local minimum is observed in these radii differences at N =40 , providing evidence for a weak N =40 sub-shell effect. However, comparison of δ A ,A' with a droplet model prediction including static deformation deduced from the spectroscopic quadrupole moments, points to the persistence of correlations at N =40 .

  12. Structure, energetic and phase transition of multi shell icosahedral bimetallic nanostructures: A molecular dynamics study of Ni{sub m}Pd{sub n} (n + m = 55 and 147)

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-15

    Structure, energetic and thermodynamic properties of multi shell icosahedral bimetallic nickel–palladium nanostructures with the size of 55 and 147 atoms were studied by using the molecular dynamics simulations and the microcanonical ensemble version of multiple histogram method. In 55 atoms icosahedra, two core–shell motifs, Ni{sub 13}Pd{sub 42} and Pd{sub 13}Ni{sub 42} with their isomers Pd{sub 13}(Pd{sub 29}Ni{sub 13}) and Ni{sub 13}(Ni{sub 29}Pd{sub 13}) were considered. Similarly in 147 atoms icosahedra, all mutations corresponding to the occupations of either nickel atoms or palladium atoms in the core, inner shell or outer shell and their isomers generated by interchanging thirteen core atoms with thirteen atoms of the other type in the inner and outer shells were considered. It is found that the nickel-core clusters are more stable than the palladium-core clusters and cohesive energy increases with the nickel composition. Phase transition of each cluster was studied by means of constant volume heat capacity. The trend in variation of melting temperature is opposite to the energy trend and special increase in melting points was observed for nickel-core isomers compared to the palladium-core isomers. Helmholtz free energy change with temperature for shell to core interchange of thirteen atoms revealed the thermodynamic stability of the formation of Ni{sub core}Pd{sub shell} structures and the surface segregation of palladium. - Highlights: • Nanostructures of Ni{sub m}Pd{sub n} clusters for m + n = 55 and 147 have been studied. • Structures favor the formation of nickel-core surrounded by palladium atoms. • In general, it appears the increase of cohesive energy with the nickel composition. • Calculated thermodynamic parameters confirm the energetic results. • Results show also the palladium segregation on the surface.

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

    CERN Document Server

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

    2013-01-01

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

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

    CERN Document Server

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

    2010-01-01

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

  15. Selective electron capture into highly stripped Ne and N target atoms after heavy-ion impact

    International Nuclear Information System (INIS)

    Auger electron and x-ray spectra from Ne and N gas targets excited with 1.4 MeV amu-1 Ar12+, Kr15+, Xe24+, and Pb36+ ions are measured, varying the target pressure and mixing other gases into the target volume. A dramatic change of line intensities from outer-shell configurations having a KL two-electron core and a third electron in the n = 4,5,6 shell is observed, depending on the target pressure and systematically on the target ionisation potential. This effect is explained by highly selective electron capture from neutral target atoms or molecules into outer-shell orbitals of slowly (Esub(r) -14 cm2 is estimated from the experiment. (author)

  16. Wilson lines, Grassmannians and Gauge Invariant Off-shell Amplitudes in N=4 SYM

    CERN Document Server

    Bork, L V

    2016-01-01

    In this paper we consider tree-level gauge invariant off-shell amplitudes (Wilson line form factors) in $\\mathcal{N}=4$ SYM. For the off-shell amplitudes with one leg off-shell we present a conjecture for their Grassmannian integral representation in spinor helicity, twistor and momentum twistor parameterizations. The presented conjecture is successfully checked against BCFW results for MHV$_n$, NMHV$_4$ and NMHV$_5$ off-shell amplitudes. We have also verified that our Grassmannian integral representation correctly reproduces soft (on-shell) limit for the off-shell gluon momentum. It is shown that the (deformed) off-shell amplitude expressions could be also obtained using quantum inverse scattering method for auxiliary $gl(4|4)$ super spin chain.

  17. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Ritchie, A B

    2003-07-22

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

  19. Shell structure from N=Z (100Sn) to N>>Z (78Ni)

    International Nuclear Information System (INIS)

    The shell structure of 100Sn shows striking resemblance to 56Ni one major shell below. Large-scale shell model calculations employing realistic interactions derived from effective NN potentials and allowing for up to 4p4h excitations of the 100Sn core account very well for the spectroscopy of key neighbours 102,103Sn, 98Cd and 94Ag, as inferred from level energies, isomerism, E2 strengths and Gamow-Teller (GT) decay of high-spin states. Recent β- decay studies of 101-104Sn using the sulphurisation ISOL technique open the perspective to study the 100Sn GT resonance. At N>>Z the persistence of the N=50 and the weakness of the N=40 shells are traced back to the monopole interaction in S=0 proton-neutron (πν) pairs of nucleons, a scenario which can be generalised to account for the new N=6,16(14),34(32) magicity in light neutron-rich nuclei. (orig.)

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

    The design of a fluidized bed atomic layer deposition (ALD) reactor is described in detail. The reactor consists of three parts that have all been placed in one protective cabinet: precursor dosing, reactor, and residual gas treatment section. In the precursor dosing section, the chemicals needed for the ALD reaction are injected into the carrier gas using different methods for different precursors. The reactor section is designed in such a way that a homogeneous fluidized bed can be obtained with a constant, actively controlled, reactor pressure. Furthermore, no filters are required inside the reactor chamber, minimizing the risk of pressure increase due to fouling. The residual gas treatment section consists of a decomposition furnace to remove residual precursor and a particle filter and is installed to protect the pump. In order to demonstrate the performance of the reactor, SiO2 particles have been coated with TiO2 using tetrakis-dimethylamino titanium (TDMAT) and H2O as precursors. Experiments with varying pulse times show that saturated growth can be obtained with TDMAT pulse times larger than 600 s. Analysis of the powder with High-Angle Annular Dark-Field Scanning Transmission Electron Microscopy (HAADF-STEM) and energy dispersive X-ray spectroscopy confirmed that after 50 cycles, all SiO2 particles were coated with a 1.6 nm homogenous shell of TiO2

  2. Evolution of N = 28 shell closure in relativistic continuum Hartree-Bogoliubov theory

    Science.gov (United States)

    Xia, Xue-Wei

    2016-07-01

    The N = 28 shell gap in sulfur, argon, calcium and titanium isotopes is investigated in the framework of relativistic continuum Hartree-Bogoliubov (RCHB) theory. The evolutions of neutron shell gap, separation energy, single particle energy and pairing energy are analyzed, and it is found that the N = 28 shell gap is quenched in sulfur isotopes but persists in argon, calcium and titanium isotopes. The evolution of the N = 28 shell gap in the N = 28 isotonic chain is discussed, and the erosion of the N = 28 shell gap is understood with the evolution of potential with proton number. Supported by Major State 973 Program of China (2013CB834400), National Natural Science Foundation of China (11175002, 11335002, 11375015, 11461141002) and Research Fund for Doctoral Program of Higher Education (20110001110087)

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

    International Nuclear Information System (INIS)

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

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

    Science.gov (United States)

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

    2016-02-10

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

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

    International Nuclear Information System (INIS)

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

  6. Shell evolution at N=20 in the constrained relativistic mean field approach

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The shell evolution at N = 20, a disappearing neutron magic number observed experimentally in very neutron-rich nuclides, is investigated in the constrained relativistic mean field (RMF) theory. The trend of the shell closure observed experimentally towards the neutron drip-line can be reproduced. The predicted two-neutron separation energies, neutron shell gap energies and deformation parameters of ground states are shown as well. These results are compared with the recent Hartree-Fock-Bogliubov (HFB-14) model and the available experimental data. The perspective towards a better understanding of the shell evolution is discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-07-15

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

  9. Restoration of the N=82 Shell Gap from Direct Mass Measurements of $^{132,134}$Sn

    CERN Document Server

    Dworschak, M; Blaum, K; Delahaye, P; George, S; Hager, U; Herfurth, F; Herlert, A; Kellerbauer, A G; Kluge, H J; Lunney, D; Schweikhard, L; Yazidjian, C

    2008-01-01

    A high-precision direct Penning trap mass measurement has revealed a 0.5-MeV deviation of the binding energy of $^{134}$Sn from the currently accepted value. The corrected mass assignment of this neutron-rich nuclide restores the neutron-shell gap at N=82, previously considered to be a case of “shell quenching.” In fact, the new shell gap value for the short-lived $^{132}$Sn is larger than that of the doubly-magic $^{48}$Ca which is stable. The N=82 shell gap has considerable impact on fission recycling during the $r$ process. More generally, the new finding has important consequences for microscopic mean-field theories which systematically deviate from the measured binding energies of closed-shell nuclides.

  10. High-precision mass measurements in the realm of the deformed shell closure N=152

    International Nuclear Information System (INIS)

    The nuclear masses reflect the sum of all interactions inside a nucleus. Their precise knowledge can be used to benchmark nuclear mass models and to gain nuclear structure information. Penning-trap mass spectrometers have proven their potential to obtain lowest uncertainties. Uniquely located at a nuclear reactor, the double Penning-trap mass spectrometer TRIGA-TRAP is dedicated to measurements in the neutron-rich region. For a gain in sensitivity a non-destructive detection system for single ion mass measurements was adopted. This includes the implementation of a narrow band-pass filter tuned to the heavy ion cyclotron frequency as well as a cryogenic low-noise amplifier. For on-line mass measurements, the laser ablation ion source was equipped with a newly developed miniature radiofrequency quadrupole trap in order to improve the extraction efficiency. A more economic use of the radioactive material enabled mass measurements using only 1015 atoms of target material. New mass measurements were performed within this work in the realm of the deformed shell closure N=152. Their implementation into the atomic-mass evaluation improved the uncertainty of more than 80 nuclides in the heavy mass region and simultaneously shifted the absolute mass of two α decay chains.

  11. Local atomic structure in (Zr{sub 1-x}U{sub x})N

    Energy Technology Data Exchange (ETDEWEB)

    Walter, M. [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany)], E-mail: marcus.walter@ec.europa.eu; Somers, J.; Fernandez-Carretero, A. [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Rothe, J. [Forschungszentrum Karlsruhe, Institut fuer Nukleare Entsorgung (INE), P.O. Box 3640, D-76021 Karlsruhe (Germany)

    2008-02-15

    (Zr{sub 1-x}U{sub x})N solid solutions were prepared for EXAFS measurements by a sol-gel route combined with infiltration and carbothermic reduction. The lattice parameter and the more distant coordination shells (Me{sub 2} and Me{sub 3}) around the Zr and U atoms follow the Vegard law. In the first coordination shell, the U-N distance also follows the Vegard law. Though the Zr-N bond distance increases with the lattice expansion caused by increasing U content, it remains constant at 232-235 pm in U-rich (Zr{sub 1-x}U{sub x})N (x > 0.6). The measurements indicate that U accommodates the lattice contraction with increasing Zr content, whereas Zr is able to expand its Zr-N bond only at lower U content. In the composition range of transmutation fuels, (Zr{sub 1-x}U{sub x})N is homogeneous at the local atomic scale.

  12. Russia's atomic tsar: Viktor N. Mikhailov

    International Nuclear Information System (INIS)

    Minatom (Ministry of Atomic Energy) was created to manage Russia's nuclear weapons program in the age of disarmament. The ministry is responsible for the development, production, and maintenance of nuclear weapons, warhead dismantlement, the production of nuclear materials for weapons, the disposition of nuclear materials disassembled from warheads, the administration of Russia's vast nuclear weapons complex, the development of policy for the future role of Russia's nuclear complex and payment of employees entrusted with such tasks. Thus, Minatom is instrumental in the implementation of arms control, disarmament and nonproliferation agreements. The director of Minatom, Viktor N. Mikhailov, wields a great deal of power and influence over Russia's nuclear infrastructure. He is an important player amidst efforts to reduce the threats posed by Russia's decaying nuclear complex. There are certainly other personalities in the Russian government who influence Minatom; however, few affect the ministry as profoundly as Mikhailov. His ability to influence Russia's nuclear complex has been clearly demonstrated by his policies in relation to the US purchase of Russian highly enriched uranium, the planned fissile material storage facility at Mayak, materials protection, control and accountability programs, and his unwavering determination to sell Iran commercial nuclear technology. Mikhailov has also been a key negotiator when dealing with the US on issues of transparency of weapons dismantlement and fissile material disposition, as well as the use of US threat reduction funds. His policies and concerns in these areas will affect the prospects for the successful negotiation and implementation of future nuclear threat reduction programs and agreements with Russia

  13. SMMC studies of N=Z pf-shell nuclei with pairing-plus-quadrupole Hamiltonian

    OpenAIRE

    Langanke, K.; Vogel, P.; Zheng, Dao-Chen

    1997-01-01

    We perform Shell Model Monte Carlo calculations of selected N=Z pf-shell nuclei with a schematic hamiltonian containing isovector pairing and quadrupole-quadrupole interactions. Compared to realistic interactions, this hamiltonian does not give rise to the SMMC ``sign problem'', while at the same time resembles essential features of the realistic interactions. We study pairing correlations in the ground states of N=Z nuclei and investigate the thermal dependence of selected observables for th...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-02-21

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

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-20

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

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

    Science.gov (United States)

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

    2016-06-22

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

  19. No influence of a N =126 neutron-shell closure in fission-fragment mass distributions

    Science.gov (United States)

    Chaudhuri, A.; Ghosh, T. K.; Banerjee, K.; Bhattacharya, S.; Sadhukhan, Jhilam; Kundu, S.; Bhattacharya, C.; Meena, J. K.; Mukherjee, G.; Saha, A. K.; Asgar, Md. A.; Dey, A.; Manna, S.; Pandey, R.; Rana, T. K.; Roy, P.; Roy, T.; Srivastava, V.; Bhattacharya, P.; Biswas, D. C.; Joshi, B. N.; Mahata, K.; Shrivastava, A.; Vind, R. P.; Pal, S.; Behera, B. R.; Singh, Varinderjit

    2015-10-01

    Mass distributions of the fragments in the fission of 206Po and the N =126 neutron shell closed nucleus 210Po have been measured. No significant deviation of mass distributions has been found between 206Po and 210Po, indicating the absence of shell correction at the saddle point in both the nuclei, contrary to the reported angular anisotropy and prescission neutron multiplicity results. This result provides benchmark data to test the new fission dynamical models to study the effect of shell correction on the potential energy surface at saddle point.

  20. No influence of a N=126 Neutron Shell Closure in Fission Fragment Mass Distributions

    CERN Document Server

    Chaudhuri, A; Banerjee, K; Bhattacharya, S; Sadhukhan, Jhilam; Kundu, S; Bhattacharya, C; Meena, J K; Mukherjee, G; Saha, A K; Asgar, Md A; Dey, A; Manna, S; Pandey, R; Rana, T K; Roy, P; Roy, T; Srivastava, V; Bhattacharya, P; Biswas, D C; Joshi, B N; Mahata, K; Shrivastava, A; Vind, R P; Pal, S; Behera, B R; Singh, Varinderjit

    2015-01-01

    Mass distributions of the fragments in the fission of $^{206}$Po and the N=126 neutron shell closed nucleus $^{210}$Po have been measured. No significant deviation of mass distributions has been found between $^{206}$Po and $^{210}$Po, indicating the absence of shell correction at the saddle point in both the nuclei, contrary to the reported angular anisotropy and pre-scission neutron multiplicity results. This new result provides benchmark data to test the new fission dynamical models to study the effect of shell correction on the potential energy surface at saddle point.

  1. Transport imaging for contact-free measurements of minority carrier diffusion in GaN, GaN/AlGaN, and GaN/InGaN core-shell nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Baird, Lee [Naval Postgraduate School, Monterey, CA (United States). Dept. of Physics; Ong, C. P. [Naval Postgraduate School, Monterey, CA (United States). Dept. of Physics; Cole, R. Adam [Naval Postgraduate School, Monterey, CA (United States). Dept. of Physics; Haegel, N. M. [Naval Postgraduate School, Monterey, CA (United States). Dept. of Physics; Talin, A. Alec [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Li, Qiming [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wang, George T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2011-03-28

    Minority carrier diffusion lengths Ld are calculated for GaN, GaN/AlGaN, and GaN/InGaN core-shell nanowires using a procedure based on imaging of recombination luminescence. The result of shell material on conveyance properties is recorded. An AlGaN shell produces Ld values in surplus of 1μm and a relative insensitivity to wire diameter. An InGaN shell reduces effective diffusion length, while a dependence of Ld on diameter is observed for unshielded nanowires.

  2. Sigma models with off-shell N=(4,4) supersymmetry and noncommuting complex structures

    CERN Document Server

    Goteman, M; Rocek, M; Ryb, Itai

    2009-01-01

    We describe the conditions for extra supersymmetry in N=(2,2) supersymmetric nonlinear sigma models written in terms of semichiral superfields. We find that these models allow additional off-shell supersymmetry. The (4,4) supersymmetry introduces geometrical structures on the target-space which are conveniently described in terms of Yano f-structures and Magri-Morosi concomitants. On-shell, we relate the new structures to the known bi-hypercomplex structures.

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

    International Nuclear Information System (INIS)

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

  4. Synthesis and characterization of thermal energy storage microencapsulated n-dodecanol with acrylic polymer shell

    International Nuclear Information System (INIS)

    Two kinds of (microencapsulated phase change materials) MicroPCMs with acrylic-based copolymer as shell and n-dodecanol as core were successfully fabricated via suspension-like polymerization and photo-induced microencapsulation, respectively. Morphology and core–shell structure were observed by (field emission scanning electron microscope) FE-SEM. Thermal properties of the microencapsulated n-dodecanol were investigated by (differential scanning calorimeter) DSC and (thermogravimetric analysis) TGA. The results indicate that the mass ratio of core to shell has great influence on the morphology, inner structure, microencapsulated efficiency and durability of the microcapsules. Besides, the effects of various solvents and UV irridiation time on the microcapsule surface were discussed as well. In the experiment carried out, metal-ion complexation was conducted by the reaction between Mn ion and carboxyl groups on copolymer shell to enhance the performance of the microcapsules with n-dodecanol encapsulated. As the results indicate, the physicochemical properties and thermal conductivity of the shell were improved after Mn ion complexation reaction. Supercooling phenomenon of n-dodecanol was depressed to some extent. In the end, the thermo-regulated fiber containing acrylic-based copolymer microcapsules was fabricated, and thermo-regulated performance test of the fiber was also conducted. - Graphical abstract: (a)∼(d) schematic diagram of microencapsulation and (e) microcapsule with core–shell structure. - Highlights: • Microencapsulated n-dodecanol with acrylic polymer shell. • Microencapsulated n-dodecanol was fabricated by photo-induced microencapsulation. • Acrylic-based copolymer microcapsules with manganese-ion complexation

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

    International Nuclear Information System (INIS)

    Separation/preconcentration of copper and cadmium using TiO2 core-Au shell nanoparticles modified with 11-mercaptoundecanoic acid and their slurry analysis by flame atomic absorption spectrometry were described. For this purpose, at first, titanium dioxide nanoparticles were coated with gold shell by reducing the chloroauric acid with sodium borohydride and then modified with 11-mercaptoundecanoic acid. The characterization of modified nanoparticles was performed using ultra-violet spectroscopy and dynamic light scattering. Copper and cadmium were then collected on the prepared sorbent by batch method. The solid phase loaded with the analytes was separated by centrifugation and the supernatant was removed. Finally, the precipitate was slurried and directly aspirated into the flame for the determination of analytes. Thus, elution step and its all drawbacks were eliminated. The effects of pH, amount of sorbent, slurry volume, sample volume and diverse ions on the recovery were investigated. After optimization of experimental parameters, the analytes in different certified reference materials and spiked water samples were quantitatively recovered with 5% RSD. The analytes were enriched up to 20-fold. Limits of detection (N = 10, 3σ) for copper and cadmium were 0.28 and 0.15 ng mL-1, respectively.

  6. Shell model analysis of N = 82 isotones above 132Sn

    International Nuclear Information System (INIS)

    Nuclei with up to 6 protons added to 132Sn are described within a truncated shell model basis formed by the proton orbits 0g7/2, 1d5/2, 1d3/2, 2s1/2 and 0h11/2. Single-particle energies and two-body interaction matrix elements are determined from experimental excitation energies in 133Sb and 134Te. These parameters are then used for calculating levels in 135I, 136Xe, 137Cs and 138Ba. The calculated energies agree well with experimental values in these 4 nuclei. (author)

  7. Faceting control in core-shell GaN micropillars using selective epitaxy

    Directory of Open Access Journals (Sweden)

    Sergiy Krylyuk

    2014-10-01

    Full Text Available We report on the fabrication of large-area, vertically aligned GaN epitaxial core-shell micropillar arrays. The two-step process consists of inductively coupled plasma (ICP etching of lithographically patterned GaN-on-Si substrate to produce an array of micropillars followed by selective growth of GaN shells over these pillars using Hydride Vapor Phase Epitaxy (HVPE. The most significant aspect of the study is the demonstration of the sidewall facet control in the shells, ranging from {1 1 ̄ 01} semi-polar to {1 1 ̄ 00} non-polar planes, by employing a post-ICP chemical etch and by tuning the HVPE growth temperature. Room-temperature photoluminescence, cathodoluminescence, and Raman scattering measurements reveal substantial reduction of parasitic yellow luminescence as well as strain-relaxation in the core-shell structures. In addition, X-ray diffraction indicates improved crystal quality after the shell formation. This study demonstrates the feasibility of selective epitaxy on micro-/nano- engineered templates for realizing high-quality GaN-on-Si devices.

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  10. Physical nature of the [S II]-bright shell nebulae N70 and N185

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ning-Xiao; Jiang, Bing; Chen, Yang [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China); Chu, You-Hua; Gruendl, R. A. [University of Illinois at Urbana-Champaign, 1002 West Green Street, Urbana, IL 61801 (United States); Williams, R. M. [Columbus State University, 4225 University Avenue, Columbus, GA 31907 (United States)

    2014-09-01

    N70 and N185 are two large (≥100 pc in diameter) shell nebulae in the Large Magellanic Cloud (LMC). Their high [S II]/Hα ratios rival those of supernova remnants (SNRs), but they are not confirmed as SNRs. To study their physical nature, we have obtained XMM-Newton X-ray observations and high-dispersion long-slit echelle spectroscopic observations of these two nebulae. The X-ray spectra of both nebulae can be well interpreted with an optically thin thermal (∼0.2 keV) plasma with the average LMC abundance in a collisional ionization equilibrium. N70 encompasses the OB association LH114. Although N70 has a modest expansion velocity and essentially thermal radio emission, its diffuse X-ray luminosity (∼6.1 × 10{sup 35} erg s{sup –1}) is higher than that from a quiescent superbubble with N70's density, size, and expansion velocity; thus, N70 is most likely a superbubble that is recently energized by an interior SNR. N185 does not contain any known OB association, and its X-ray luminosity is an order of magnitude lower than expected if it is a quiescent superbubble. N185 has nonthermal radio emission and has high-velocity material expanding at nearly 200 km s{sup –1}, similar to many known SNRs in the LMC. Its X-ray luminosity (∼1.9 × 10{sup 35} erg s{sup –1}) is also consistent with that of an evolved SNR. We therefore suggest that N185 is energized by a recent supernova.

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

    Science.gov (United States)

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

    2015-09-01

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

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

    Science.gov (United States)

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

    1975-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    OpenAIRE

    Khusnutdinov, Nail R.

    2012-01-01

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

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

    International Nuclear Information System (INIS)

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

  16. Structural and optical nanoscale analysis of GaN core-shell microrod arrays fabricated by combined top-down and bottom-up process on Si(111)

    Science.gov (United States)

    Müller, Marcus; Schmidt, Gordon; Metzner, Sebastian; Veit, Peter; Bertram, Frank; Krylyuk, Sergiy; Debnath, Ratan; Ha, Jong-Yoon; Wen, Baomei; Blanchard, Paul; Motayed, Abhishek; King, Matthew R.; Davydov, Albert V.; Christen, Jürgen

    2016-05-01

    Large arrays of GaN core-shell microrods were fabricated on Si(111) substrates applying a combined bottom-up and top-down approach which includes inductively coupled plasma (ICP) etching of patterned GaN films grown by metal-organic vapor phase epitaxy (MOVPE) and selective overgrowth of obtained GaN/Si pillars using hydride vapor phase epitaxy (HVPE). The structural and optical properties of individual core-shell microrods have been studied with a nanometer scale spatial resolution using low-temperature cathodoluminescence spectroscopy (CL) directly performed in a scanning electron microscope (SEM) and in a scanning transmission electron microscope (STEM). SEM, TEM, and CL measurements reveal the formation of distinct growth domains during the HVPE overgrowth. A high free-carrier concentration observed in the non-polar \\{ 1\\bar{1}00\\} HVPE shells is assigned to in-diffusion of silicon atoms from the substrate. In contrast, the HVPE shells directly grown on top of the c-plane of the GaN pillars reveal a lower free-carrier concentration.

  17. Nuclear shell effects in neutron-rich nuclei around N=20 and N=32,34

    International Nuclear Information System (INIS)

    Nuclear shell effects in neutron-rich nuclei around N=20 and N=32,34 were studied by means of reduced transition probabilities, i.e. B(E2) and B(M1) values. To this end a series of Coulomb-excitation experiments, employing radioactive 31Mg and 29,30Na beams, as well as a precise lifetime experiment of excited states in 56Cr were performed. The collective properties of excited states of 31Mg were the subject of a Coulomb-excitation experiment at REX-ISOLDE, CERN, employing a radioactive 31Mg beam at a beam energy of 3.0 MeV/u. The beam intensity amounted to 3000 ions/s on average. The highly efficient MINIBALL setup was employed, consisting of eight HPGe cluster detectors for γ-ray detection and a segmented Si-detector for coincident particle detection. The level scheme of 31Mg was extended. Spin and parity assignment of the observed 945 keV state yielded 5/2+ and its de-excitation is dominated by a strong collective M1 transition. Comparison of the transition probabilities of 30,31,32Mg establishes that for the N=19 magnesium isotope not only the ground state but also excited states are largely dominated by a deformed pf intruder configuration. This implies that 31Mg is part of the so-called ''island of inversion''. Coulomb-excitation experiments of radioactive 29,30Na were carried out at REX-ISOLDE, CERN, at a final beam energy of 2.85 MeV/u. De-excitation γ rays were detected by the MINIBALL γ-ray spectrometer in coincidence with scattered particles in a segmented Si-detector. Despite rather low beam intensities transition probabilities to the first excited states were deduced. Results of very recently published experiments at MSU and TRIUMF could be largely confirmed and extended. The measured B(E2) values agree well with shell-model predictions, supporting the idea that in the sodium isotopic chain the ground-state wave function contains a significant intruder admixture already at N=18, with N=19 having an almost pure 2p2h deformed ground-state configuration

  18. Isolation of atomically precise mixed ligand shell PdAu24 clusters

    Science.gov (United States)

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

    2016-05-01

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  1. Restricted Open-Shell Kohn-Sham Theory IV: Expressions for N Unpaired Electrons

    OpenAIRE

    Schulte, Marius; Frank, Irmgard

    2008-01-01

    We present an energy expression for restricted open-shell Kohn-Sham theory for N unpaired electrons and single-electron operators for all multiplets formed from up to five unpaired electrons. It is shown that it is possible to derive an explicit energy expression for all low-spin multiplets of systems that exhibit neither radial nor cylindrical symmetry.

  2. Some Inequalities for Multiple Integrals on the n-Dimensional Ellipsoid, Spherical Shell, and Ball

    Directory of Open Access Journals (Sweden)

    Yan Sun

    2013-01-01

    Full Text Available The authors establish some new inequalities of Pólya type for multiple integrals on the n-dimensional ellipsoid, spherical shell, and ball, in terms of bounds of the higher order derivatives of the integrands. These results generalize the main result in the paper by Feng Qi, Inequalities for a multiple integral, Acta Mathematica Hungarica (1999.

  3. Some Inequalities for Multiple Integrals on the n-Dimensional Ellipsoid, Spherical Shell, and Ball

    OpenAIRE

    Yan Sun; Hai-Tao Yang; Feng Qi

    2013-01-01

    The authors establish some new inequalities of Pólya type for multiple integrals on the n-dimensional ellipsoid, spherical shell, and ball, in terms of bounds of the higher order derivatives of the integrands. These results generalize the main result in the paper by Feng Qi, Inequalities for a multiple integral, Acta Mathematica Hungarica (1999).

  4. A Derivation of an Off-Shell N = (2,2) Supergravity Chiral Projection Operator

    CERN Document Server

    Gates, S J Jr

    2009-01-01

    Utilizing the known off-shell formulation of 2D, N = (2,2) supergravity, containing a finite number of auxiliary fields, there is shown to exist a simple form for a 'chiral projection operator' and an explicit expression for it is given.

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  7. Shape coexistence and the N=28 shell closure far from stability

    Energy Technology Data Exchange (ETDEWEB)

    Sarazin, F.; Savajols, H.; Mittig, W. [and others

    1999-07-01

    The masses of 31 neutron rich nuclei in the range A=29-47 have been measured. The precision of 19 masses has been significantly improved and 12 masses were measured for the first time. The neutron rich Cl, S and P isotopes are seen to exhibit a change in shell structure around N=28. Comparison with shell model and relativistic mean field calculations demonstrate that deformed prolate ground state configurations associated with shape coexistence are necessary to explain the experimental data. Direct evidence for shape coexistence is found in the observation of an isomer in {sup 43}S. (authors)

  8. Extended shell-model calculation for even N=82 isotones with realistic effective interactions

    CERN Document Server

    Holt, A; Osnes, E; Hjorth-Jensen, M; Suhonen, J

    1997-01-01

    The shell model within the $2s1d0g_{7/2}0h_{11/2}$ shell is applied to calculate nuclear structure properties of the even Z=52 - 62, N=82 isotones. The results are compared with experimental data and with the results of a quasiparticle random-phase approximation (QRPA) calculation. The interaction used in these calculations is a realistic two-body G-matrix interaction derived from modern meson-exchange potential models for the nucleon-nucleon interaction. For the shell model all the two-body matrix elements are renormalized by the $\\hat{Q}$-box method whereas for the QRPA the effective interaction is defined by the G-matrix.

  9. Nuclear shell effects in neutron-rich nuclei around N=20 and N=32,34

    CERN Document Server

    Seidlitz, M

    Nuclear shell effects in neutron-rich nuclei around N=20 and N=32,34 were studied by means of reduced transition probabilities, i.e. B(E2) and B(M1) values. To this end a series of Coulomb-excitation experiments, employing radioactive 31Mg and 29,30Na beams, as well as a precise lifetime experiment of excited states in 56Cr were performed. The collective properties of excited states of 31Mg were the subject of a Coulomb-excitation experiment at REX-ISOLDE, CERN, employing a radioactive 31Mg beam at a beam energy of 3.0 MeV/u. The beam intensity amounted to 3000 ions/s on average. The highly efficient MINIBALL setup was employed, consisting of eight HPGe cluster detectors for gamma-ray detection and a segmented Si-detector for coincident particle detection. The level scheme of 31Mg was extended. Spin and parity assignment of the observed 945 keV state yielded 5/2+ and its de-excitation is dominated by a strong collective M1 transition. Comparison of the transition probabilities of 30,31,32Mg establishes that f...

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

    International Nuclear Information System (INIS)

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

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

    CERN Document Server

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

    2016-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    Directory of Open Access Journals (Sweden)

    Hiroshi Tatewaki

    2015-06-01

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

  14. Stability of atoms in the anionic domain (Z<N)

    CERN Document Server

    Gil, G

    2013-01-01

    We study the stability and universal behaviour of the ionization energy of N-electron atoms with nuclear charge Z in the anionic domain (Z<N), considering the nuclear charge Z as an arbitrary (non-integral) parameter. HF and CISD ground state energy calculations were performed for systems with N and N-1 electrons to compute the ionization energies for nuclear charges ranging from the neutral atom region to the anionic instability threshold. As testing systems we choose inert gases (He-like, Ne-like and Ar-like isoelectronic sequences) and alkali metals (Li-like, Na-like, K-like sequences). From the results, it is apparent that, for inert gases case, the stability relation with N is completely inverted in the singly-charged anion region (Z=N-1) with respect to the neutral atom region (Z=N), i.e. larger systems are more stable than the smaller ones. We devised a semi-analytical model (inspired by the zero-range forces theory) which lead us to establish the ionization energy dependence on the nuclear charge n...

  15. DC Stark effect on cold Rydberg atom nD + nD pair collisions

    International Nuclear Information System (INIS)

    We have observed a significant yield of (n + 2)P atoms after the excitation of nD Rydberg atoms in a Rb MOT, where 27 < n < 41, which can be attributed to binary collisions between Rydberg atoms. We have measured its dependence on principle quantum number as well as DC electric field. These results are compared to a model which uses the Landau-Zener method to calculate transition probabilities at avoided crossings in the two-atom potential energy curves, taking into account the effects of the DC Stark effect due to the background electric field.

  16. Off-Shell N=2 Linear Multiplets in Five Dimensions

    CERN Document Server

    Ozkan, Mehmet

    2016-01-01

    We present a superconformal tensor calculus for an arbitrary number of five dimensional N=2 linear multiplets. We also demonstrate how to construct higher derivative invariants, and produce higher order supersymmetric off-diagonal models. Finally, we show the procedure required for the derivation of the supersymmetric completion of the non-Abelian $F^4$ action.

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

    CERN Document Server

    Khusnutdinov, Nail R

    2012-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-04-01

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

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

    International Nuclear Information System (INIS)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-04-01

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

  1. Realizing exactly solvable SU (N ) magnets with thermal atoms

    Science.gov (United States)

    Beverland, Michael E.; Alagic, Gorjan; Martin, Michael J.; Koller, Andrew P.; Rey, Ana M.; Gorshkov, Alexey V.

    2016-05-01

    We show that n thermal fermionic alkaline-earth-metal atoms in a flat-bottom trap allow one to robustly implement a spin model displaying two symmetries: the Sn symmetry that permutes atoms occupying different vibrational levels of the trap and the SU (N ) symmetry associated with N nuclear spin states. The symmetries make the model exactly solvable, which, in turn, enables the analytic study of dynamical processes such as spin diffusion in this SU (N ) system. We also show how to use this system to generate entangled states that allow for Heisenberg-limited metrology. This highly symmetric spin model should be experimentally realizable even when the vibrational levels are occupied according to a high-temperature thermal or an arbitrary nonthermal distribution.

  2. Study on nuclear structures of Te isotopes beyond N = 82 shell closure

    Science.gov (United States)

    Lee, Pilsoo; Lee, Chun Sik; Moon, Chang-Bum; Eurica Ribf-87 Collaboration Collaboration

    2016-03-01

    Tellurium which has two valence protons above the Z = 50 proton shell closure is well known for collective behavior in low-lying states. Therefore, Te isotopes are known to be a good test ground for studying nuclear collective modes but also the effect of neutron-proton interaction on the shell evolution with variation of neutron numbers owing to the valence protons above Z = 50 . For this reason Te isotopes always attract our attention, however, most available spectroscopic nuclear data of Te isotopes remains below N = 82 , and experimental data is severely limited above N = 82 . Meanwhile, recent study of 138Te by means of β- γ spectroscopy with fission fragments of 238U has provided us with new clues on excited states in 138Te, and the new experimental result has proposed new excited states that were unexpected in the previous theoretical studies. This study aims at understanding structural evolution in Te isotopes above N = 82 with respect to below N = 82 including the new data set available today. In this presentation we discuss the nuclear structures and effective interactions in Te isotopes above N = 82 based on the nuclear shell model and interacting boson approximations.

  3. The N=50 Shell gap at 78Ni from high-spin spectroscopy

    International Nuclear Information System (INIS)

    Neutron-rich nuclei close to shell gaps are particularly interesting since, when compared with the shell-model prediction, they allow to search for anomalies into the shell structure [1-3]. These nuclei are difficult to reach, particularly in the high-spin states, since they can not be produced via fusion-evaporation reactions. The study of the N=50 isotones towards the doubly closed 78Ni nucleus, which is the main aim of this work, will possibly enable to understand the size and eventually the evolution of the N=50 energy gap far from stability. The level structures of the N=50 83As, 82Ge and 81Ga nuclei have been investigated by means of multi-nucleon transfer reactions using the CLARA [4] 7-detector array in coincidence with the reaction products selected into the PRISMA [5-7] magnetic spectrometer at Laboratori Nazionali di Legnaro (LNL). In case γ-γ data from CLARA is not sufficient, the level schemes of three N=50 isotones have been built using the complimentary γ coincidence information from two thick target experiments, where both the projectile-like and the target-like fragments were stopped in the target. Data in these experiments has been collected at LNL, using the GASP detector array [8], and at Argonne National Laboratory (ANL), using the Gammasphere array [9], respectively. The spin assignments of the excited levels have been determined on the basis of the decay branchings and on the asymmetry ratios [10]. Newly obtained experimental information have been used to test the stability of the N=50 shell closure in the region of 78Ni. Through the comparison of the experimentally determined level energies with the results of detailed shell model calculations an energy gap value of 4.7(2) MeV is extracted for Z=28. This result is in good agreement with the prediction of the finite-range liquid-drop model excluding a weakening of the N=50 shell gap down to Z=28 [11].(author)

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

    CERN Document Server

    Nandy, D K; Sahoo, B K

    2014-01-01

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

  5. High-precision mass measurements of nickel, copper, and gallium isotopes and the purported shell closure at N=40

    CERN Document Server

    Guenaut, C; Beck, D; Blaum, K; Bollen, G; Delahaye, P; Herfurth, F; Kellerbauer, A G; Kluge, H J; Libert, J; Lunney, M D; Schwarz, S; Schweikhard, L; Yazidjian, C

    2007-01-01

    High-precision mass measurements of more than thirty neutron-rich nuclides around the Z=28 closed proton shell were performed with the triple-trap mass spectrometer ISOLTRAP at ISOLDE/CERN to address the question of a possible neutron shell closure at N=40. The results, for 57,60,64-69Ni (Z=28), 65-74,76Cu (Z=29), and 63-65,68-78Ga (Z=31), have a relative uncertainty of the order of 10^8. In particular, the masses of 72-74,76Cu have been measured for the first time. We analyse the resulting mass surface for signs of magicity, comparing the behavior of N=40 to that of known magic numbers and to mid-shell behavior. Contrary to nuclear spectroscopy studies, no indications of a shell or sub-shell closure are found for N=40.

  6. High-precision mass measurements of nickel, copper, and gallium isotopes and the purported shell closure at N=40

    Energy Technology Data Exchange (ETDEWEB)

    Guenaut, C.; Audi, G. [CSNSM-IN2P3-CNRS, 91405 Orsay-Campus (France); Beck, D. [GSI, Planckstrasse 1, 64291 Darmstadt (Germany)] (and others)

    2007-01-15

    High-precision mass measurement of more than thirty neutron-rich nuclides around the Z=28 closed proton shell were performed with the triple-trap mass spectrometer ISOLTRAP at ISOLDE/CERN to address the question of a possible neutron shell closure at N=40. The results for {sup 57,60,64-69}Ni, {sup 65-74,76}Cu (Z=29), and {sup 63-65,68-78}Ga (Z=31), have a relative uncertainty of the order of 10{sup -8}. In particular, the masses of {sup 72-74,76}Cu have been measured for the first time. We analyse the resulting mass surface for signs of magicity, comparing the behavior of N=40 to that of known magic numbers and to mid-shell behavior. Contrary to nuclear spectroscopy studies, no indications of a shell or sub-shell closure are found for N=40. (authors)

  7. Clusters containing open-shell molecules. III. Quantum five-dimensional/two-surface bound-state calculations on ArnOH van der Waals clusters (X2Π, n=4 to 12).

    OpenAIRE

    Xu, M Z; Bačić, Z.; Hutson, J. M.

    2002-01-01

    This paper presents a theoretical study of the bound states of the open-shell OH radical in its ground electronic state(X2Π) interacting with n Ar atoms, for n from 4 to 12. After freezing the geometry of the Arn cage or subunit at the equilibrium structure (preceding paper), we carry out nonadiabatic five-dimensional quantum dynamics calculations on two coupled potential energy surfaces, using an extension of the method previously applied to closed-shell ArnHFclusters [J. Chem. Phys. 103, 18...

  8. Nanoencapsulation of n-alkanes with poly(styrene-co-ethylacrylate) shells for thermal energy storage

    International Nuclear Information System (INIS)

    Highlights: • Four series of nanocapsules containing n-alkanes were synthesized in poly(styrene-co-ethylacrylate). • The emulsion co-polymerization technique was used. • Influence of core:shell ratio on encapsulation and thermal properties reported. - Abstract: In this work, we synthesized a series of four nanocapsules containing n-alkanes (CnH2n+2), namely tetradecane, pentadecane, hexadecane, and heptadecane, in poly(styrene-co-ethylacrylate) using an emulsion copolymerization method. The nanocapsules were characterized according to their geometric profiles, phase transition temperatures, phase transition heats, mean particle sizes, and chemical stabilities by means of scanning electron microscopy, differential scanning calorimetry, thermal gravimetric analysis and Fourier transform infrared spectroscopy. Furthermore, we also focused on the effect of the core/shell mass ratio on the phase change properties of the nanocapsules. We found that microcapsules were synthesized successfully and that the best core/shell mass ratio was 3:1 for this study. These results indicate that encapsulated n-alkanes with poly(styrene-co-ethylacrylate) have an excellent potential for energy storage

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

    Science.gov (United States)

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

    2016-03-01

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

  10. Irreps and off-shell invariant actions of the N-extended supersymmetric quantum mechanics

    International Nuclear Information System (INIS)

    The complete classification of the irreducible representations of the N-extended one-dimensional supersymmetry algebra linearly realized on a finite number of fields is presented. Off-shell invariant actions of one-dimensional supersymmetric sigma models are constructed. The role of both Clifford algebras and the Cayley-Dickson's doubling of algebras in association with the N-extended supersymmetries is discussed. We prove in specific examples that the octonionic structure constants enter the N = 8 invariant actions as coupling constants. We further explain how to relate one-dimensional supersymmetric quantum mechanical systems to the dimensional reduction of higher-dimensional supersymmetric theories. (author)

  11. N=28 shell closure : shape coexistence and spin-orbit contribution

    International Nuclear Information System (INIS)

    One of the fundamental questions, which emerge from the study of nuclei far from stability, concerns the persistence of the magic character of certain configurations of protons and neutrons. From previous measurements around the N=28 magic number, it appears that this shell closure is especially weakening. In this context, a mass measurement experiment by a time of flight method around N=28 (Z43S in the same experiment and its interpretation by a shell model calculation confirm the analysis of the masses and constitutes the first evidence of shape coexistence around N=28. At the same time, an estimation of the evolution of the contribution of the spin-orbit coupling far from stability, partially responsible of the magic numbers sequence, showed that, although non-negligible, it is not sufficient to explain the vanishing of the shell closure. Through this study, it appeared extremely difficult to separate the contribution of the deformation from the one of the spin-orbit coupling in spectroscopic experiments. A feasibility study has thus been undertaken concerning a polarised proton and deuteron target to measure directly the evolution of the spin-orbit potential as a function of the isospin through elastic scattering experiments. (author)

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

    Institute of Scientific and Technical Information of China (English)

    JIN Feng-Tao; YUAN Jian-Min

    2005-01-01

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

  13. Windows PowerShell : Toimialueympäristön asennus ja hallinta

    OpenAIRE

    Kuusniemi, Tapani

    2015-01-01

    Työssä esitellään Windows PowerShellia (myöhemmin PowerShell) toimialueympäristön asennuksessa ja hallinnassa. Työssä käydään läpi PowerShellin kehitystä sekä eri versioiden uusia ominaisuuksia ja PowerShellin tekniikoita. PowerShellia esitellään tietoturvan näkökulmasta, millä tavalla tietoturva on otettu huomioon eri määritykset ja asetukset. Näistä omana osiona on skriptitiedostojen allekirjoitus. Lisäksi esitellään toimialueen keskeisimmät käsitteet ja toteutetaan toimialueen asen...

  14. Ion Translational Energy Distributions from Inner-shell Dissociative ionization of N2O, NH3 and SF6.

    OpenAIRE

    Locht, Robert; Leyh, Bernard; Jochims, H.W.; Denzer, W.; Baumgärtel, H.

    1992-01-01

    The IRPD method is applied to the dissociative ionization in the inner-shell ionization region for NO+, N2+, O+, N+ and N++/N2O. Particular attention has been focussed on the production and ion kientic energy distribution of H+/NH3.

  15. Measurement of ground state properties of neutron-rich nuclei on the r-process path between the N=50 and N=82 shells

    CERN Multimedia

    2007-01-01

    The evolution of the unknown ground-state ${\\beta}$-decay properties of the neutron-rich $^{84-89}$Ge, $^{90-93}$Se and $^{102-104}$Sr isotopes near the r-process path is of high interest for the study of the abundance peaks around the N=50 and N=82 neutron shells. At ISOLDE, beams of certain elements with sufficient isotopic purity are produced as molecular sidebands rather than atomic beams. This applies e.g, to germanium, separated as GeS$^{+}$, selenium separated as SeCO$^{+}$ and strontium separated as SrF$^{+}$. However, in case of neutron-rich isotopes produced in actinide targets, new "isobaric" background of atomic ions appears on the mass of the molecular sideband. For this particular case, the ECR charge breeder, positioned in the experimental hall after ISOLDE first mass separation, can be advantageously used as a purification device, by breaking the molecules and removing the molecular contaminants. This proposal indicates our interest in the study of basic nuclear structure properties of neutron...

  16. On the Dirac eigenvalues as observables of the on-shell N = 2D = 4 Euclidean supergravity

    Science.gov (United States)

    Vancea, Ion

    2008-12-01

    We generalize previous works on the Dirac eigenvalues as dynamical variables of Euclidean gravity and N =1 D = 4 supergravity to on-shell N = 2 D = 4 Euclidean supergravity. The covariant phase space of the theory is defined as the space of the solutions of the equations of motion modulo the on-shell gauge transformations. In this space we define the Poisson brackets and compute their value for the Dirac eigenvalues.

  17. On the Dirac Eigenvalues as Observables of the on-shell N=2 D=4 Euclidean Supergravity

    OpenAIRE

    Vancea, Ion V.

    2004-01-01

    We generalize previous works on the Dirac eigenvalues as dynamical variables of the Euclidean gravity and N=1 D=4 supergravity to on-shell N=2 D=4 Euclidean supergravity. The covariant phase space of the theory is defined as as the space of the solutions of the equations of motion modulo the on-shell gauge transformations. In this space we define the Poisson brackets and compute their value for the Dirac eigenvalues.

  18. Spherical core-shell magnetic particles constructed by main-chain palladium N-heterocyclic carbenes

    Science.gov (United States)

    Zhao, Huaixia; Li, Liuyi; Wang, Jinyun; Wang, Ruihu

    2015-02-01

    The encapsulation of the functional species on magnetic core is a facile approach for the synthesis of core-shell magnetic materials, and surface encapsulating matrices play crucial roles in regulating their properties and applications. In this study, two core-shell palladium N-heterocyclic carbene (NHC) particles (Fe3O4@PNP1 and Fe3O4@PNP2) were prepared by a one-pot reaction of semi-rigid tripodal imidazolium salts and palladium acetate in the presence of magnetite nanoparticles. The magnetite nanoparticles are encapsulated inside the main-chain palladium, which act as cores. The conjugated effects of triphenyltriazine and triphenylbenzene in the imidazolium salts have important influence on their physical properties and catalytic performances. Fe3O4@PNP2 shows better recyclability than Fe3O4@PNP1. Unexpectedly, Pd(ii) is well maintained after six consecutive catalytic runs in Fe3O4@PNP2, and Pd(0) and Pd(ii) coexist in Fe3O4@PNP1 under the same conditions; moreover, the morphologies of these spherical core-shell particles show no significant variation after six consecutive catalytic runs.The encapsulation of the functional species on magnetic core is a facile approach for the synthesis of core-shell magnetic materials, and surface encapsulating matrices play crucial roles in regulating their properties and applications. In this study, two core-shell palladium N-heterocyclic carbene (NHC) particles (Fe3O4@PNP1 and Fe3O4@PNP2) were prepared by a one-pot reaction of semi-rigid tripodal imidazolium salts and palladium acetate in the presence of magnetite nanoparticles. The magnetite nanoparticles are encapsulated inside the main-chain palladium, which act as cores. The conjugated effects of triphenyltriazine and triphenylbenzene in the imidazolium salts have important influence on their physical properties and catalytic performances. Fe3O4@PNP2 shows better recyclability than Fe3O4@PNP1. Unexpectedly, Pd(ii) is well maintained after six consecutive catalytic runs in

  19. Cause of the charge radius isotope shift at the N=126 shell gap

    Directory of Open Access Journals (Sweden)

    Goddard P.M.

    2014-03-01

    Full Text Available We discuss the mechanism causing the ‘kink’ in the charge radius isotope shift at the N = 126 shell closure. The occupation of the 1i11/2 neutron orbital is the decisive factor for reproducing the experimentally observed kink. We investigate whether this orbital is occupied or not by different Skyrme effective interactions as neutrons are added above the shell closure. Our results demonstrate that several factors can cause an appreciable occupation of the 1i11/2 neutron orbital, including the magnitude of the spin-orbit field, and the isoscalar effective mass of the Skyrme interaction. The symmetry energy of the effective interaction has little influence upon its ability to reproduce the kink.

  20. Extremes of nuclear structure: discovery of the shell closures N=162 and Z=108

    International Nuclear Information System (INIS)

    Collaborative Dubna-Livermore experiments performed in 1993-1995 by employing the Dubna gas-filled recoil separator have resulted in the discovery of the new nuclides 262104, 265106, 266106, 267108 and 273110. These nuclides represent the heaviest isotopes of elements 104, 106, 108 and 110 produced up to now. The identification of 273110 signifies the observation of the element 110. Decay properties determined for these new species establish the existence of the shell closures at N=162 and Z=108 predicted by modern macroscopic-microscopic nuclear theory. The findings of the present series of experiments create novel opportunities for extending the nuclear domain at its upper edge and offer the predicted spherical shells at N≅178-184 and Z=114 to be a major challenge for future experimental explorations. 27 refs., 8 figs., 4 tabs

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

    International Nuclear Information System (INIS)

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

  2. First-principles determination of the structure of NaN and NaN- clusters with up to 80 atoms.

    Science.gov (United States)

    Aguado, Andrés; Kostko, Oleg

    2011-04-28

    We have performed an extensive computational search for the global minimum (GM) structures of both neutral and anionic sodium clusters with up to 80 atoms. The theoretical framework combines basin hopping unbiased optimizations based on a Gupta empirical potential (EP) and subsequent reoptimization of many candidate structures at the density functional theory level. An important technical point is that the candidates are selected based on cluster shape descriptors rather than the relative stabilities of the EP model. An explicit comparison of the electronic density of states of cluster anions to experimental photoemission spectra suggests that the correct GM structures have been identified for all but two sizes (N = 47 and 70). This comparison validates the accuracy of the proposed methodology. Furthermore, our GM structures either match or improve over the results of previous works for all sizes. Sodium clusters are seen to accommodate strain very efficiently because: (a) many structures are based on polyicosahedral packing; (b) others are based on Kasper polyhedra and show polytetrahedral order; (c) finally, some (N + 1)-atom structures are obtained by incorporating one adatom into the outermost atomic shell of a compact N-atom cluster, at the cost of increasing the bond strain. GM structures of neutrals and anions differ for most sizes. Cluster stabilities are analyzed and shown to be dominated by electron shell closing effects for the smaller clusters and by geometrical packing effects for the larger clusters. The critical size separating both regimes is around 55 atoms. Some implications for the melting behavior of sodium clusters are discussed. PMID:21528957

  3. Dynamic evolution process of multilayer core-shell microstructures within containerlessly solidifying F e50S n50 immiscible alloy

    Science.gov (United States)

    Wang, W. L.; Wu, Y. H.; Li, L. H.; Geng, D. L.; Wei, B.

    2016-03-01

    Multilayer core-shell structures are frequently formed in polymers and alloys when temperature and concentration fields are well symmetrical spatially. Here we report that two- to five-layer core-shell microstructures were the dominant structural morphology of a binary F e50S n50 immiscible alloy solidified under the containerless and microgravity states within a drop tube. Three dimensional phase field simulation reveals that both the uniformly dispersive structure and the multilayer core-shells are the various metastable and transitional states of the liquid phase separation process. Only the two-layer core-shell is the most stable microstructure with the lowest chemical potential. Because of the suppression of Stokes motion, solutal Marangoni migration becomes important to drive the evolution of core-shell structures.

  4. Consistent off-shell $pi N N$ vertex and nucleon self-energy

    NARCIS (Netherlands)

    Kondratyuk, S.; Scholten, O.

    1998-01-01

    Published in: Phys. Rev. C 59 (1999) 1070-1080 Citing articles (CrossRef) citations recorded in [Science Citation Index] Abstract: We present a consistent calculation of half-off-shell form factors in the pion-nucleon vertex and the nucleon self-energy. Numerical results are presented which show evi

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

    International Nuclear Information System (INIS)

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

  6. Microscopic description of quadrupole collectivity in neutron-rich nuclei across the N = 126 shell closure

    Science.gov (United States)

    Rodríguez-Guzmán, R.; Robledo, L. M.; Sharma, M. M.

    2015-06-01

    The quadrupole collectivity in Nd, Sm, Gd, Dy, Er, Yb, Hf and W nuclei with neutron numbers 122 ≤ N ≤ 156 is studied, both at the mean field level and beyond, using the Gogny energy density functional. Besides the robustness of the N = 126 neutron shell closure, it is shown that the onset of static deformations in those isotopic chains with increasing neutron number leads to an enhanced stability and further extends the corresponding two-neutron drip lines far beyond what could be expected from spherical calculations. Independence of the mean-field predictions with respect to the particular version of the Gogny energy density functional employed is demonstrated by comparing results based on the D1S and D1M parameter sets. Correlations beyond mean field are taken into account in the framework of the angular momentum projected generator coordinate method calculation. It is shown that N = 126 remains a robust neutron magic number when dynamical effects are included. The analysis of the collective wave functions, average deformations and excitation energies indicate that, with increasing neutron number, the zero-point quantum corrections lead to dominant prolate configurations in the 0{1/+}, 0{2/+}, 2{1/+} and 2{2/+} states of the studied nuclei. Moreover, those dynamical deformation effects provide an enhanced stability that further supports the mean-field predictions, corroborating a shift of the r-process path to higher neutron numbers. Beyond mean-field calculations provide a smaller shell gap at N = 126 than the mean-field one in good agreement with previous theoretical studies. However, the shell gap still remains strong enough in the two-neutron drip lines.

  7. Microscopic description of quadrupole collectivity in neutron-rich nuclei across the N = 126 shell closure

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Guzman, R.; Sharma, M.M. [Kuwait University, Physics Department, Kuwait (Kuwait); Robledo, L.M. [Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain)

    2015-06-15

    The quadrupole collectivity in Nd, Sm, Gd, Dy, Er, Yb, Hf and W nuclei with neutron numbers 122 ≤ N ≤ 156 is studied, both at the mean field level and beyond, using the Gogny energy density functional. Besides the robustness of the N = 126 neutron shell closure, it is shown that the onset of static deformations in those isotopic chains with increasing neutron number leads to an enhanced stability and further extends the corresponding two-neutron drip lines far beyond what could be expected from spherical calculations. Independence of the mean-field predictions with respect to the particular version of the Gogny energy density functional employed is demonstrated by comparing results based on the D1S and D1M parameter sets. Correlations beyond mean field are taken into account in the framework of the angular momentum projected generator coordinate method calculation. It is shown that N = 126 remains a robust neutron magic number when dynamical effects are included. The analysis of the collective wave functions, average deformations and excitation energies indicate that, with increasing neutron number, the zero-point quantum corrections lead to dominant prolate configurations in the 0{sub 1} {sup +}, 0{sub 2} {sup +}, 2{sub 1} {sup +} and 2{sub 2} {sup +} states of the studied nuclei. Moreover, those dynamical deformation effects provide an enhanced stability that further supports the mean-field predictions, corroborating a shift of the r-process path to higher neutron numbers. Beyond mean-field calculations provide a smaller shell gap at N = 126 than the mean-field one in good agreement with previous theoretical studies. However, the shell gap still remains strong enough in the two-neutron drip lines. (orig.)

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

    Science.gov (United States)

    Ayinol, M.; Aydeniz, D.

    2016-03-01

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

  9. Coulomb excitation of neutron-rich nuclei between the N=40 and N=50 shell gaps using REX-ISOLDE and the Ge MINIBALL array

    CERN Multimedia

    2002-01-01

    We propose to perform Coulomb excitation experiments of neutron-rich nuclei in the vicinity of $^{68}$Ni towards $^{78}$Ni using the REX-ISOLDE facility coupled with the highly efficient MINIBALL array. Major changes in the structure of the atomic nucleus are expected around the N = 40 subshell closure. Recent B(E2) measurements suggested that $^{68}$Ni behaves like a doubly magic nucleus while neutron-rich Zn isotopes with N>38 exhibit a sudden increase of B(E2) values which may be the signature of deformation. We would like to check and test these predictions for neutron-rich nuclei in the vicinity of N = 40 and N = 50 shell closures like $^{72}$Zn, $^{74}$Zn, $^{76}$Zn, $^{68}$Ni, $^{70}$Ni. Our calculations show that an energy upgrade from 2.2 to 3 MeV/nucleon will be of crucial importance for a part of our study while some nuclei can still be very efficiently studied at an energy of 2.2 MeV/nucleon. Therefore, to perform our experiment in an efficient way, we request 21 shifts of beam time before the ene...

  10. Probing the shell closure at N = 32 by mass measurements of neutron-rich potassium isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Rosenbusch, M. [Ernst-Moritz-Arndt-Universitaet Greifswald (Germany); Collaboration: ISOLTRAP-Collaboration

    2014-07-01

    The Penning-trap mass spectrometer ISOLTRAP at ISOLDE/CERN has been set up for precision mass measurements of short-lived nuclides and has been continuously improved for accessing more exotic nuclides. A crucial step forward has been made with the installation of a multi-reflection time-of-flight mass separator (MR-ToF MS), which enables high-resolution mass separation of contaminated ions, resulting, e.g., in the measurement of {sup 82}Zn. More recently, mass measurements have been performed directly in the MR-ToF MS instead of using a Penning trap. This paved the way for the mass determination of {sup 53,54}Ca, which would not have succeeded in ISOLTRAP's Penning traps. The obtained two-neutron separation energies (S{sub 2n}) unambiguously confirm a shell closure at N = 32, indicated earlier by measurements of the excitation energies of the first 2{sup +} state in {sup 52}Ca. In addition, with the MR-ToF MS at ISOLTRAP the masses of {sup 52}K and {sup 53}K have been determined for the first time. With a half-life of only 30 ms, {sup 53}K is the shortest-lived nuclide ever investigated at ISOLTRAP. The data are currently under evaluation. In this contribution, the new S{sub 2n} values are presented, and the crossing of the neutron shell closure at N = 32 for potassium is discussed.

  11. Mudworm Polydora lingshuiensis sp. n is a new species that inhabits both shell burrows and mudtubes.

    Science.gov (United States)

    Ye, Lingtong; Tang, Bin; Wu, Kaichang; Su, Youlu; Wang, Ruixuan; Yu, Ziniu; Wang, Jiangyong

    2015-01-01

    A new polydorin species, Polydora lingshuiensis sp. n., which is found not only in burrows of pearl oyster shells (shell-boring type) but also in mudtubes on the surface of pearl oyster cages (tube-dwelling type), is described with the use of light microscopy, scanning electron microscopy, and molecular phylogeny. Morphological and molecular distinctions between P. lingshuiensis and other related species reveal that P. lingshuiensis is a valid new species. The reproduction characteristic that the eggs of P. lingshuiensis are gathered together in one hollow cylinder is another piece of evidence confirming that it is indeed a valid new species. Sequence comparisons based on nuclear 18S rDNA, 28S rDNA, and mitochondrial 16S rDNA show that strains of the shell-boring type possess as high as 99.9% to 100% sequence identity relative to those of the tube-dwelling type. This finding evidently indicates that these species types are conspecific. We also find that a comparison of mitochondrial 16S rDNA sequences can provide a higher resolution of polydorin species than those of the nuclear 18S rDNA because the former has a higher interspecific/intraspecific difference ratio. Phylogenetic analyses based on 18S rDNA sequences indicate that all P. lingshuiensis samples group together to forming a sister clade to Polydora uncinata and thus fall within Polydora aura/P. uncinata clade. PMID:26250172

  12. On-shell diagrams and the geometry of planar N < 4 SYM theories

    CERN Document Server

    Benincasa, Paolo

    2016-01-01

    We continue the discussion of the decorated on-shell diagrammatics for planar N < 4 Supersymmetric Yang-Mills theories started in arXiv:1510.03642. In particular, we focus on its relation with the structure of varieties on the Grassmannian. The decoration of the on-shell diagrams, which physically keeps tracks of the helicity of the coherent states propagating along their edges, defines new on-shell functions on the Grassmannian and can introduce novel higher-order singularities, which graphically are reflected into the presence of helicity loops in the diagrams. These new structures turn out to have similar features as in the non-planar case: the related higher-codimension varieties are identified by either the vanishing of one (or more) Plucker coordinates involving at least two non-adjacent columns, or new relations among Plucker coordinates. A distinctive feature is that the functions living on these higher-codimenson varieties can be thought of distributionally as having support on derivative delta-fu...

  13. Atoms

    Institute of Scientific and Technical Information of China (English)

    刘洪毓

    2007-01-01

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

  14. Nuclear structure near the magic N = 50 shell from g-factor and lifetime measurements

    International Nuclear Information System (INIS)

    Full text: Nuclear lifetime and g-factor values provide outstanding tools to explore the microscopic structure of nuclei. In an elementary picture, a single-particle behavior is expected for nuclei near closed shells, while a more collective structure is anticipated for nuclei with proton and neutron numbers between closed shells. Recent g-factor and lifetime measurements near the N = 50 shell and Z = 38, 40, subshell closures, have stimulated the performance of large-scale shell-model (LSSM) calculations, with the aim to test different interactions in the region. In this talk, recent results of such studies, near the N = 50 shell and Z = 38, 40 subshell closures will be presented. In particular, the cases of the 4088Zr and 3884,86,88Sr will be compared with the predictions made by LSSM calculations within p3/2, f5/2, p1/2, and g9/2 orbital space for both protons and neutrons; the resulting g factors and B(E2) values for these nuclei reveal similarities between the two chains of Zr and Sr isotopes. The cases of 46100Pd, and 4496Ru will be analyzed using a valance space of p1/2, and g9/2 orbitals for protons and d5/2, s1/2, d3/2, g7/2, and h11/2 orbitals for neutrons; for these cases future theoretical efforts must be made to explain the trend of the experimental g factors as a function of nuclear spin. The experimental determination of accurate g-factor values uses the transient field technique in inverse kinematics, using Coulomb excitation reactions and α-transfer mechanism for the population of the states under study. The experimental setup allows the measurement of lifetimes of the order of picoseconds using the Doppler-shift attenuation methods. Experimental challenges for future experiments will be also mentioned [1,2,3]. [1] G. J. Kumbartzki et al., Phys. Rev. C 85 (2012) 044322 [2] D.A. Torres et al., Phys. Rev. C 85 (2012) 017305 [3] D.A. Torres et al., Phys. Rev. C 84 (2011) 044327. (author)

  15. Dynamic contact problem for viscoelastic von Kármán-Donnell shells

    Czech Academy of Sciences Publication Activity Database

    Bock, I.; Jarušek, Jiří

    Berlin: Springer, 2013 - (Hömberg, D.; Tröltzsch, F.), s. 70-75. (IFIP Advances in Information and Communication Technology . 391). ISBN 978-3-642-36061-9. [IFIP TC7 Conference on System Modelling and Optimization /21./. Berlin (DE), 12.09.2011-16.09.2011] R&D Projects: GA ČR(CZ) GAP201/12/0671; GA MŠk(CZ) MEB0810045 Institutional support: RVO:67985840 Keywords : Von Kármán-Donnell shell * unilateral dynamic contact * viscoelasticity Subject RIV: BA - General Mathematics http://link.springer.com/chapter/10.1007%2F978-3-642-36062-6_7

  16. Experimental Sign of a Weakening of the N=50 Spherical Shell Gap

    International Nuclear Information System (INIS)

    High-spin states of 84Se, produced as a fission fragment in the fusion-fission reaction 18O+208Pb, have been identified for the first time thanks to the EUROBALL IV array. The excitation energies of three of these states, interpreted as being due to the (νg9/2-1 νd5/2+1) neutron-core excitation, give new insights about the evolution of the N=50 shell gap at the vicinity of 78Ni

  17. Atoms

    International Nuclear Information System (INIS)

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

  18. N-level atom and (N-1) modes: Detuning, dynamics and statistical aspects

    International Nuclear Information System (INIS)

    A model is presented to investigate the problem of interaction between an N-level atom and (N-1) modes of the field. The model includes the effect of detuning. Constants of motion are obtained. The evolution operator is calculated. The probability distribution function for the photons numbers is computed for different initial atomic states. The characteristic functions are computed. Different statistical quantities concerning the photons or the atomic system are given. It is found that if the atom starts from a definite state then the photon number never exceeds its initial value in the mode that effects the interaction between this state and the upper-most state. On the other hand, in the other modes the photon numbers at any time are never less than the initial value. (author)

  19. Measurement and analysis of the 238U (n, 2n) reaction rate in depleted uranium/polyethylene shells

    International Nuclear Information System (INIS)

    In order to check the conceptual design of the subcritical blanket in a fusion-fission hybrid reactor, a depleted uranium/polyethylene simulation device with alternate shells has been established. The measurement of the 238U (n, 2n) reaction rate was carried out using an activation technique, by measuring the 208 keV γ rays emitted from 237U. The self-absorption of depleted uranium foils with different thicknesses was experimentally corrected. The distribution of the 238U (n, 2n) reaction rate at 90° to the incident D+ beam was obtained, with uncertainty between 5.3% and 6.0%. The experiment was analyzed using MCNP5 code with the ENDF/BVI library, and the calculated results are all about 5% higher than the measured results. (authors)

  20. Measurement and analysis of the 238U(n, 2n) reaction rate in depleted uranium/polyethylene shells

    Institute of Scientific and Technical Information of China (English)

    YAN Xiao-Song; LIU Rong; LU Xin-Xin; JIANG Li; WEN Zhong-Wei; HAN Zi-Jie

    2012-01-01

    In order to check the conceptual design of the subcritical blanket in a fnsion-fission hybrid reactor,a depleted uranium/polyethylene simulation device with alternate shells has been established.The measurement of the 238U(n,2n) reaction rate was carried out using an activation technique,by measuring the 208 keV γ rays emitted from 237 U.The self-absorption of depleted uranium foils with different thicknesses was experimentally corrected.The distribution of the 238U(n,2n) reaction rate at 90° to the incident D+ beam was obtained,with uncertainty between 5.3% and 6.0%.The experiment was analyzed using MCNP5 code with the ENDF/BVI library,and the calculated results are all about 5% higher than the measured results.

  1. Challenges to the Application of δ15N measurements of the organic fraction of archaeological and fossil mollusk shells to assess paleoenvironmental change.

    Science.gov (United States)

    Andrus, C. F. T.

    2015-12-01

    Nitrogen isotope analysis of the organic fraction of mollusk shells is beginning to be applied to questions of past anthropogenic and natural environmental variation using samples from archaeological and fossil deposits. Fairly extensive proxy validation research has been conducted in the past decade, documenting the relationship between the δ15N of ambient particulate organic matter, mollusk soft tissues, and shell organic matrix. However, comparatively little research has addressed the potential effects of taphonomy and diagenesis on these proxy records. Assessing archaeological samples are especially complex in that humans may have transported and/or cooked shell prior to deposition. Shell δ15N data will be presented from modern and archaeological oyster (Crassostrea virginica) and clam shell (Mercenaria spp.) of various late Holocene ages and late Cretaceous Crassatellites vadosus shells. Archaeological shells show some loss of organic matter over time, yet some Cretaceous shells retain enough matrix to permit δ15N analysis. The Cretaceous samples required concentration of the remaining organic matrix by removing carbonate via acid pretreatment prior to EA-IRMS analysis, but modern and archaeological shells had sufficient organic matrix to permit analysis without acid pretreatment. The δ15N data from the archaeological shells do not display obvious alteration from the loss of organic matrix. The results of cooking experiments performed on modern oyster shells also indicate little alteration of δ15N values, unless the shell was heated to the point of disintegration. While these experiments indicate promise for the application of δ15N analysis of shell organic matter, the results are incomplete and lack ideal control over initial δ15N values in ancient samples used for comparisons. Future research, perhaps focused on compound-specific δ15N analysis and additional controlled experiments on moderns shells, may improve this assessment.

  2. Determination of the N=16 Shell Closure at the Oxygen Drip Line

    International Nuclear Information System (INIS)

    The neutron unbound ground state of 25O (Z=8, N=17) was observed for the first time in a proton knockout reaction from a 26F beam. A single resonance was found in the invariant mass spectrum corresponding to a neutron decay energy of 770-10+20 keV with a total width of 172(30) keV. The N=16 shell gap was established to be 4.86(13) MeV by the energy difference between the ν1s1/2 and ν0d3/2 orbitals. The neutron separation energies for 25O agree with the calculations of the universal sd shell model interaction. This interaction incorrectly predicts an 26O ground state that is bound to two-neutron decay by 1 MeV, leading to a discrepancy between the theoretical calculations and experiment as to the particle stability of 26O. The observed decay width was found to be on the order of a factor of 2 larger than the calculated single-particle width using a Woods-Saxon potential

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

    Indian Academy of Sciences (India)

    S Dhar; M R Alam

    2007-09-01

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

  4. N=82 shell quenching of the classical r-process 'waiting-point' nucleus Cd130

    International Nuclear Information System (INIS)

    First β- and γ-spectroscopic decay studies of the N=82 r-process 'waiting-point' nuclide Cd130 have been performed at CERN/ISOLDE using the highest achievable isotopic selectivity. Several nuclear-physics surprises have been discovered. The first one is the unanticipatedly high energy of 2.12 MeV for the [πg9/2xνg7/2] 1+ level in In130, which is fed by the main Gamow-Teller transition. The second surprise is the rather high Qβ value of 8.34 MeV, which is in agreement only with recent mass models that include the phenomenon of N=82 shell quenching. Possible implications of these new results on the formation of the A≅130 r-process abundance peak are presented

  5. p-Cu2O-shell/n-TiO2-nanowire-core heterostucture photodiodes

    Directory of Open Access Journals (Sweden)

    Hsueh Ting-Jen

    2011-01-01

    Full Text Available Abstract This study reports the deposition of cuprous oxide [Cu2O] onto titanium dioxide [TiO2] nanowires [NWs] prepared on TiO2/glass templates. The average length and average diameter of these thermally oxidized and evaporated TiO2 NWs are 0.1 to 0.4 μm and 30 to 100 nm, respectively. The deposited Cu2O fills gaps between the TiO2 NWs with good step coverage to form nanoshells surrounding the TiO2 cores. The p-Cu2O/n-TiO2 NW heterostructure exhibits a rectifying behavior with a sharp turn-on at approximately 0.9 V. Furthermore, the fabricated p-Cu2O-shell/n-TiO2-nanowire-core photodiodes exhibit reasonably large photocurrent-to-dark-current contrast ratios and fast responses.

  6. Teleporting N-qubit unknown atomic state by utilizing the V-type three-level atom

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Realizing the teleportation of quantum state, especially the teleportation of N-qubit quantum state, is of great importance in quantum information. In this paper, Raman-interaction of the V-type degenerate three-level atom and single-mode cavity field is studied by utilizing complete quantum theory. Then a new scheme for teleporting N-qubit unknown atomic state via Raman-interaction of the V-type degenerate three-level atom with a single-mode cavity field is proposed, which is based upon the complete quantum theory mentioned above.

  7. Erosion of N=20 shell in 33Al investigated through the ground-state electric quadrupole moment

    International Nuclear Information System (INIS)

    Electric quadrupole moment Q of the 33Al ground state has been measured by means of β-NMR spectroscopy using a spin-polarized 33Al beam produced in a projectile fragmentation reaction. The obtained Q moment, |Qexp(33Al)|=132(16) emb, shows a significant excess from the prediction of shell model calculations within the sd shell. The result indicates sizable admixing of pf intruder configurations in the ground state, demonstrating that the N=20 shell closure certainly erodes in 33Al, a nucleus located on the border of the island of inversion. Comparison was made with predictions of the Monte Carlo shell model, and also a particle-vibration coupling model treating the neutron pairing correlations in the ground state of 33Al. Again, a significant admixture of pf intruder configurations to the 33Al ground state was needed in both theoretical approaches to explain the observed large Q.

  8. 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

  9. Adinkra `Color' Confinement In Exemplary Off-Shell Constructions Of 4D, ${\\cal N}$ = 2 Supersymmetry Representations

    CERN Document Server

    Gates,, S James

    2014-01-01

    Evidence is presented in some examples that an adinkra quantum number, $\\chi_{\\rm o}$ (arXiv:\\ 0902.3830 [hep-th]), seems to play a role with regard to off-shell 4D, $\\cal N$ = 2 SUSY similar to the role of color in QCD. The vanishing of this adinkra quantum number appears to be a condition required for when two off-shell 4D, $\\cal N$ = 1 supermultiplets form an off-shell 4D, $\\cal N$ = 2 supermultiplet. We also explicitly comment on a deformation of the Lie bracket and anti-commutator operators that has been extensively and implicitly used in our work on "Garden Algebras" adinkras, and codes.

  10. Emission Characteristics of InGaN/GaN Core-Shell Nanorods Embedded in a 3D Light-Emitting Diode

    Science.gov (United States)

    Jung, Byung Oh; Bae, Si-Young; Lee, Seunga; Kim, Sang Yun; Lee, Jeong Yong; Honda, Yoshio; Amano, Hiroshi

    2016-04-01

    We report the selective-area growth of a gallium nitride (GaN)-nanorod-based InGaN/GaN multiple-quantum-well (MQW) core-shell structure embedded in a three-dimensional (3D) light-emitting diode (LED) grown by metalorganic chemical vapor deposition (MOCVD) and its optical analysis. High-resolution transmission electron microscopy (HR-TEM) observation revealed the high quality of the GaN nanorods and the position dependence of the structural properties of the InGaN/GaN MQWs on multiple facets. The excitation and temperature dependences of photoluminescence (PL) revealed the m-plane emission behaviors of the InGaN/GaN core-shell nanorods. The electroluminescence (EL) of the InGaN/GaN core-shell-nanorod-embedded 3D LED changed color from green to blue with increasing injection current. This phenomenon was mainly due to the energy gradient and deep localization of the indium in the selectively grown InGaN/GaN core-shell MQWs on the 3D architecture.

  11. Emission Characteristics of InGaN/GaN Core-Shell Nanorods Embedded in a 3D Light-Emitting Diode.

    Science.gov (United States)

    Jung, Byung Oh; Bae, Si-Young; Lee, Seunga; Kim, Sang Yun; Lee, Jeong Yong; Honda, Yoshio; Amano, Hiroshi

    2016-12-01

    We report the selective-area growth of a gallium nitride (GaN)-nanorod-based InGaN/GaN multiple-quantum-well (MQW) core-shell structure embedded in a three-dimensional (3D) light-emitting diode (LED) grown by metalorganic chemical vapor deposition (MOCVD) and its optical analysis. High-resolution transmission electron microscopy (HR-TEM) observation revealed the high quality of the GaN nanorods and the position dependence of the structural properties of the InGaN/GaN MQWs on multiple facets. The excitation and temperature dependences of photoluminescence (PL) revealed the m-plane emission behaviors of the InGaN/GaN core-shell nanorods. The electroluminescence (EL) of the InGaN/GaN core-shell-nanorod-embedded 3D LED changed color from green to blue with increasing injection current. This phenomenon was mainly due to the energy gradient and deep localization of the indium in the selectively grown InGaN/GaN core-shell MQWs on the 3D architecture. PMID:27102904

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  14. Electron-impact ionization of the N atom

    International Nuclear Information System (INIS)

    Electron-impact ionization cross sections for the ground and excited states of the N atom are calculated using the non-perturbative R-matrix with pseudo-states and time-dependent close-coupling (TDCC) methods, as well as the perturbative distorted-wave method. The TDCC and distorted-wave results for the 1s22s22p23l (l=0−2) excited configurations are much larger than for the ground configuration. In all cases the TDCC results are substantially lower than the distorted-wave results. The ionization cross section results will lead to a better understanding of moderately dense astrophysical and laboratory plasmas containing nitrogen. (paper)

  15. Thermal properties of AlN-based atom chips

    CERN Document Server

    Armijo, Julien; Bouchoule, Isabelle

    2009-01-01

    We have studied the thermal properties of atom chips consisting o high thermal conductivity Aluminum Nitride (AlN) substrates on which gold microwires are directly deposited. We have measured the heating of wires of several widths and with different thermal couplings to the copper mount holding the chip. The results are in good agreement with a theoretical model where the copper mount is treated as a heat sink and the thermal interface resistance between the wire and the substrate is vanishing. We give analytical formulas describing the different transient heating regimes and the steady state. We identify criteria to optimize the design of a chip as well as the maximal currents $I_c$ that can be fed in the wires. For a 600$\\mu$m thick-chip glued on a copper block with Epotek H77, we find $I_c=16$A for a 3$\\mu$m high, 200$\\mu$m wide-wire.

  16. On Yangian-invariant regularization of deformed on-shell diagrams in N=4 super-Yang–Mills theory

    International Nuclear Information System (INIS)

    We investigate Yangian invariance of deformed on-shell diagrams with D = 4, N=4 superconformal symmetry. We find that invariance implies a direct relationship between the deformation parameters and the permutation associated with the on-shell graph. We analyse the connection with deformations of scattering amplitudes in N=4 super-Yang–Mills theory and the possibility of using the deformation parameters as a regulator preserving Yangian invariance. A study of higher-point tree and loop graphs suggests that manifest Yangian invariance of the amplitude requires trivial deformation parameters. (paper)

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

    Indian Academy of Sciences (India)

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

    2002-10-01

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

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  20. Calculation of the fine-structure parameters for np 5 n' f configurations of rare-gas atoms

    Science.gov (United States)

    Anisimova, G. P.; Kapel'Kina, E. L.; Semenov, R. I.

    2000-12-01

    In the single-configuration approximation, fine-structure parameters are calculated semiempirically in the intermediate coupling scheme for the configurations 2p 5 nf( n=4 6) of NeI, 3 p 5 nf( n=4 7) of ArI, and 4 p 54 f of KrI. With the fine-structure parameters obtained, the coefficients of expansion of the wave functions in basis functions of the LS-coupling scheme and the gyromagnetic ratios are calculated. To the authors’ knowledge, analogous data are absent in the literature. The correctness of the fine-structure parameters obtained is confirmed by values of the fine-splitting constant, which is well known for other configurations of rare-gas atoms with an almost filled p shell.

  1. New states in heavy Cd isotopes and evidence for weakening of the N=82 shell structure

    International Nuclear Information System (INIS)

    A chemically selective laser ion source has been used in a β-decay study of heavy Ag isotopes into even-even Cd nuclides. Gamma-spectroscopic techniques in time-resolving event-by-event and multiscaling modes have permitted the identification of the first 2+ and 4+ levels in 126Cd78, 128Cd80, and tentatively the 2+ state in 130Cd82. From a comparison of these new states in 48Cd with the E(2+) and E(4+)/E(2+) level systematics of 46Pd and 52Te isotopes and several recent model predictions, possible evidence for a weakening of the spherical N=82 neutron-shell below double-magic 132Sn is obtained. (orig.)

  2. Nuclear shell-model calculations for 6Li and 14N with different NN potentials

    International Nuclear Information System (INIS)

    Two ''phase-shift equivalent'' local NN potentials with different parametrizations, Reid93 and NijmII, which were found to give nearly identical results for the triton by Friar et al., are shown to yield remarkably similar results for 6Li and 14N in a (0+2)ℎΩ no-core space shell-model calculation. The results are compared with those for the widely used Hamada-Johnson hard-core and the original Reid soft-core potentials, which have larger deuteron D-state percentages. The strong correlation between the tensor strength and the nuclear binding energy is confirmed. However, many nuclear structure properties seem to be rather insensitive to the details of the NN potential and, therefore, cannot be used to test various NN potentials

  3. Higher Gauge Theories from Lie n-algebras and Off-Shell Covariantization

    CERN Document Server

    Carow-Watamura, Ursula; Ikeda, Noriaki; Kaneko, Yukio; Watamura, Satoshi

    2016-01-01

    We analyze higher gauge theories in various dimensions using a supergeometric method based on a differential graded symplectic manifold, called a QP-manifold, which is closely related to the BRST-BV formalism in gauge theories. Extensions of the Lie 2-algebra gauge structure are formulated within the Lie n-algebra induced by the QP-structure. We find that in 5 and 6 dimensions there are special extensions of the gauge algebra. In these cases, a restriction of the gauge symmetry by imposing constraints on the auxiliary gauge fields leads to a covariantized theory. As an example we show that we can obtain an off-shell covariantized higher gauge theory in 5 dimensions, which is similar to the one proposed in [1] (arxiv:1206.5643).

  4. GaN/Fe core/shell nanowires for nonvolatile spintronics on Si

    International Nuclear Information System (INIS)

    We explore the relationship between the structural and magnetic properties of GaN/Fe core/shell nanowires grown epitaxially on Si substrates. The magnetic properties are consistent with the coexistence of two magnetic contributions: a ferromagnetic response from the single-crystalline Fe particles formed at the nanowire tips, and a superparamagnetic response originating from the granular Fe clusters grown on the nanowire sidewalls, giving them a corncob-like morphology. We show that our interpretation of the origin of the magnetic behavior can be confirmed by the viscous decay of magnetic remanence in the nanowires. Ferromagnetic remanence is observed both parallel and perpendicular to the nanowire axis, making such structures appealing as high-density nonvolatile spintronic components on Si.

  5. General N=2 supersymmetric quantum mechanical model: Supervariable approach to its off-shell nilpotent symmetries

    International Nuclear Information System (INIS)

    Using the supersymmetric (SUSY) invariant restrictions on the (anti-)chiral supervariables, we derive the off-shell nilpotent symmetries of the general one (0+1)-dimensional N=2 SUSY quantum mechanical (QM) model which is considered on a (1, 2)-dimensional supermanifold (parametrized by a bosonic variable t and a pair of Grassmannian variables θ and θ-bar with θ2=(θ-bar)2=0,θ(θ-bar)+(θ-bar)θ=0). We provide the geometrical meanings to the two SUSY transformations of our present theory which are valid for any arbitrary type of superpotential. We express the conserved charges and Lagrangian of the theory in terms of the supervariables (that are obtained after the application of SUSY invariant restrictions) and provide the geometrical interpretation for the nilpotency property and SUSY invariance of the Lagrangian for the general N=2 SUSY quantum theory. We also comment on the mathematical interpretation of the above symmetry transformations. - Highlights: • A novel method has been proposed for the derivation of N=2 SUSY transformations. • General N=2 SUSY quantum mechanical (QM) model with a general superpotential, is considered. • The above SUSY QM model is generalized onto a (1, 2)-dimensional supermanifold. • SUSY invariant restrictions are imposed on the (anti-)chiral supervariables. • Geometrical meaning of the nilpotency property is provided

  6. Evolution of the N=82 shell gap below {sup 132}Sn inferred from core excited states in {sup 131}In

    Energy Technology Data Exchange (ETDEWEB)

    Gorska, M. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany)], E-mail: m.gorska@gsi.de; Caceres, L. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Departamento de Fisica Teorica, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Grawe, H. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Pfuetzner, M. [IEP, University of Warsaw, PL-00681 Warsaw (Poland); Jungclaus, A. [Departamento de Fisica Teorica, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Instituto de Estructuras de la Materia, CSIC, Serrano113bis, E-28006 Madrid (Spain); Pietri, S. [Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom); Werner-Malento, E. [IEP, University of Warsaw, PL-00681 Warsaw (Poland); Podolyak, Z.; Regan, P.H. [Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom); Rudolph, D. [Department of Physics, Lund University, S-22100 Lund (Sweden); Detistov, P. [Faculty of Physics, University of Sofia, BG-1164 Sofia (Bulgaria); Lalkovski, S. [Faculty of Physics, University of Sofia, BG-1164 Sofia (Bulgaria); School of Enviroment and Technology, University of Brighton, Brighton, BN2 4GJ (United Kingdom); Modamio, V.; Walker, J. [Departamento de Fisica Teorica, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Beck, T. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Bednarczyk, P. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Henryk Niewodniczanski Institute of Nuclear Physics, PAN, PL-31342 Krakow (Poland); Doornenbal, P. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Institut fuer Kernphysik, Universitaet zu Koeln, D-50937 Koeln (Germany); Geissel, H.; Gerl, J. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany)] (and others)

    2009-03-02

    The {gamma}-ray decay of an excited state in {sup 131}In, the one proton hole neighbor of the doubly magic {sup 132}Sn has been measured. A high-spin, core-excited isomer with T{sub 1/2}=630(60) ns was identified following production by both relativistic fragmentation of a {sup 136}Xe beam and fission of a {sup 238}U beam. This state deexcites by a single {gamma}-ray branch of 3782(2) keV from which direct evidence for the size of the N=82 shell gap is inferred. The results are discussed in comparison to a shell-model calculation including configurations across the closed shells at N=82 and Z=50.

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  9. Effect of oxidation on α″-Fe16N2 phase formation from plasma-synthesized spherical core–shell α-Fe/Al2O3 nanoparticles

    International Nuclear Information System (INIS)

    The introduction of an oxidation treatment to the synthesis of spherical and core–shell α″-Fe16N2/Al2O3 nanoparticles (~62 nm) from plasma-synthesized core–shell α-Fe/Al2O3 nanoparticles has been found to result in a high yield of α″-Fe16N2 phase of up to 98%. The oxidation treatment leads the formation of a maghemite phase with open channeled structures along the c-axis, facilitating penetration of H2 and NH3 gases during the hydrogen reduction and nitridation steps. The saturation magnetization and magnetic coercivity of the core–shell α″-Fe16N2/Al2O3 magnetic nanoparticles were found to be 156 emu/g and 1450 Oe, respectively. The detailed effects of the oxidation on the formation of α″-Fe16N2 phase were investigated by characterizing the morphology (SEM, TEM and BET), elemental composition (EDX, EELS, and XAFS) and magnetic properties (Mössbauer and MSPS) of the prepared particles. The good magnetic properties obtained have the potential for future applications such as rare-earth-free magnetic materials. - Highlights: • High yield of α″-Fe16N2 up to 98% was prepared from core–shell α-Fe/Al2O3 NPs. • Introduction of oxidation improved yield of α″-Fe16N2 for large size of NPs. • Oxidation forming microporous structured maghemite facilitated nitridation process. • Particle morphology changed during the nitrogen process due to atomic dislocation. • Core–shell α″-Fe16N2/Al2O3 nanoparticles showed good magnetic performances

  10. Effect of oxidation on α″-Fe{sub 16}N{sub 2} phase formation from plasma-synthesized spherical core–shell α-Fe/Al{sub 2}O{sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Zulhijah, Rizka [Department of Chemical Engineering, Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Nandiyanto, Asep Bayu Dani [Departemen Kimia, Fakultas Pendidikan Matematika dan Ilmu Pengetahuan Alam, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudi No. 229, Bandung 40154 (Indonesia); Ogi, Takashi, E-mail: ogit@hiroshima-u.ac.jp [Department of Chemical Engineering, Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Iwaki, Toru [Department of Chemical Engineering, Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan); Nakamura, Keitaro [Research Center for Production and Technology, Nisshin Seifun Group, Inc., 5-3-1, Tsurugaoka, Fujimino, Saitama 356-8511 (Japan); Okuyama, Kikuo [Department of Chemical Engineering, Graduate School of Engineering, Hiroshima University, 1-4-1 Kagamiyama, Higashi-Hiroshima 739-8527 (Japan)

    2015-05-01

    The introduction of an oxidation treatment to the synthesis of spherical and core–shell α″-Fe{sub 16}N{sub 2}/Al{sub 2}O{sub 3} nanoparticles (~62 nm) from plasma-synthesized core–shell α-Fe/Al{sub 2}O{sub 3} nanoparticles has been found to result in a high yield of α″-Fe{sub 16}N{sub 2} phase of up to 98%. The oxidation treatment leads the formation of a maghemite phase with open channeled structures along the c-axis, facilitating penetration of H{sub 2} and NH{sub 3} gases during the hydrogen reduction and nitridation steps. The saturation magnetization and magnetic coercivity of the core–shell α″-Fe{sub 16}N{sub 2}/Al{sub 2}O{sub 3} magnetic nanoparticles were found to be 156 emu/g and 1450 Oe, respectively. The detailed effects of the oxidation on the formation of α″-Fe{sub 16}N{sub 2} phase were investigated by characterizing the morphology (SEM, TEM and BET), elemental composition (EDX, EELS, and XAFS) and magnetic properties (Mössbauer and MSPS) of the prepared particles. The good magnetic properties obtained have the potential for future applications such as rare-earth-free magnetic materials. - Highlights: • High yield of α″-Fe{sub 16}N{sub 2} up to 98% was prepared from core–shell α-Fe/Al{sub 2}O{sub 3} NPs. • Introduction of oxidation improved yield of α″-Fe{sub 16}N{sub 2} for large size of NPs. • Oxidation forming microporous structured maghemite facilitated nitridation process. • Particle morphology changed during the nitrogen process due to atomic dislocation. • Core–shell α″-Fe{sub 16}N{sub 2}/Al{sub 2}O{sub 3} nanoparticles showed good magnetic performances.

  11. On-shell methods for off-shell quantities in N=4 Super Yang-Mills: from scattering amplitudes to form factors and the dilatation operator

    CERN Document Server

    Penante, Brenda

    2016-01-01

    Planar maximally supersymmetric Yang-Mills theory (N=4 SYM) is a special quantum field theory. A few of its remarkable features are conformal symmetry at the quantum level, evidence of integrability and, moreover, it is a prime example of the AdS/CFT duality. Triggered by Witten's twistor string theory, the past 15 years have witnessed enormous progress in reformulating this theory to make as many of these special features manifest, from the choice of convenient variables to recursion relations that allowed new mathematical structures to appear, like the Grassmannian. These methods are collectively referred to as on-shell methods. The ultimate hope is that, by understanding N=4 SYM in depth, one can learn about other, more realistic quantum field theories. The overarching theme of this thesis is the investigation of how on-shell methods can aid the computation of quantities other than scattering amplitudes. In this spirit we study form factors and correlation functions, said to be partially and completely off...

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

    International Nuclear Information System (INIS)

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

  13. Microscopic description of quadrupole collectivity in neutron-rich nuclei across the N=126 shell closure

    CERN Document Server

    Rodriguez-Guzman, R; Sharma, M M

    2014-01-01

    The quadrupole collectivity in Nd, Sm, Gd, Dy, Er, Yb, Hf and W nuclei with neutron numbers 122 $\\le$ N $\\le$ 156 is studied, both at the mean field level and beyond, using the Gogny energy density functional. Besides the robustness of the N=126 neutron shell closure, it is shown that the onset of static deformations in those isotopic chains with increasing neutron number leads to an enhanced stability and further extends the corresponding two-neutron driplines far beyond what could be expected from spherical calculations. Independence of the mean field predictions with respect to the particular version of the Gogny energy density functional employed is demonstrated by comparing results based on the D1S and D1M parameter sets. Correlations beyond mean field are taken into account in the framework of the angular momentum projected generator coordinate method calculation. It is shown that N=126 remains a robust neutron magic number when dynamical effects are included. The analysis of the collective wave functio...

  14. One-Pot Method for Multifunctional Yolk Structured Nanocomposites with N-doped Carbon Shell Using Polydopamine as Precursor.

    Science.gov (United States)

    Zhang, Yanwei; Zhang, Min; Ding, Lei; Wang, Yongtao; Xu, Jingli

    2016-12-01

    Herein, we reported a facile method to prepared uniform yolk like nanocomposites with well-defined N-doped carbon shell (C), in which the cores@SiO2@polydopamine (Pdop) were used as the sacrificed template. Typically, inherited from the functional Au core, the yolk particles presented excellent catalytic activities. PMID:27094826

  15. The measurement of electrostatic potentials in core/shell GaN nanowires using off-axis electron holography

    DEFF Research Database (Denmark)

    Yazdi, Sadegh; Kasama, Takeshi; Ciechonski, R;

    2013-01-01

    Core-shell GaN nanowires are expected to be building blocks of future light emitting devices. Here we apply off-axis electron holography to map the electrostatic potential distributions in such nanowires. To access the cross-section of selected individual nanowires, focused ion beam (FIB) milling...

  16. Entangling single and $N$ atom qubits for fast quantum state detection and transmission

    OpenAIRE

    Saffman, M.; Walker, T. G.

    2004-01-01

    We discuss the use of Rydberg blockade techniques for entanglement of 1 atom qubits with collective $N$ atom qubits. We show how the entanglement can be used to achieve fast readout and transmission of the state of single atom qubits without the use of optical cavities.

  17. Change of shell structure and magnetic moments of odd-N deformed nuclei towards the neutron drip line

    OpenAIRE

    Hamamoto, Ikuko

    2010-01-01

    Abstract Examples of the change of neutron shell-structure in both weakly-bound and resonant neutron one-particle levels in nuclei towards the neutron drip line are exhibited. It is shown that the shell-structure change due to the weak binding may lead to the deformation of those nuclei with the neutron numbers N ? 8, 20, 28 and 40, which are known to be magic numbers in stable nuclei. Nuclei in the " island of inversion " are most easily and in a simple manner understood in terms of defor...

  18. 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.

  19. Deeply bound pionic atom

    International Nuclear Information System (INIS)

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

  20. Study of the closure of the nuclear shells N = 16, 20, 28 and 40; Etudes des fermetures de couches nucleaires N=16, 20, 28 et 40

    Energy Technology Data Exchange (ETDEWEB)

    Sorlin, O

    2005-12-15

    There are 2 types of nuclear shell closures: one is associated to a number of the harmonic oscillator, typically N = 20 and 40, and the other is a consequence of the spin-orbital interaction that produces magic numbers such as N = 28, 50, 82 and N = 126. The first part of this work deals with the knowledge accumulated around the closure of the N = 28 shell. 3 means of investigation have been used: -) the study of beta decay nuclei (K{sup 47}, Ar{sup 46}, S{sup 44}, Si{sup 42} and Cl{sup 45}), -) the on-line spectroscopy of nuclei around N = 28, and -) the study of Ar{sup 45} and Ar{sup 47} through transfer reactions. The second part is dedicated to results concerning the nuclear structure of nuclei around N = 14-20 and around N = 40. (A.C.)

  1. Near infrared electroluminescence of ZnMgO/InN core-shell nanorod heterostructures grown on Si substrate.

    Science.gov (United States)

    Wu, Guoguang; Zheng, Weitao; Gao, Fubin; Yang, Hang; Zhao, Yang; Yin, Jingzhi; Zheng, Wei; Li, Wancheng; Zhang, Baolin; Du, Guotong

    2016-07-27

    This paper presents a systematic investigation of a ZnMgO/InN core-shell nanorods heterojunction device on a p-Si substrate. Here we demonstrated the heteroepitaxial growth of the well-aligned ZnMgO/InN core-shell nanorods structure, which enabled an increased heterojunction area to improve the carrier injection efficiency of nanodevices by plasma-assisted molecular beam epitaxy combined with metal-organic chemical vapor deposition. In situ X-ray photoelectron spectroscopy measurements were performed on the ZnMgO nanorods, the interface of ZnMgO/InN and the InN core-shell nanorods to fully understand the structure and working mechanism of the heterojunction device. The current transport mechanism has been discussed in terms of the characteristics of current-voltage and the energy band diagram of the n-InN/ZnMgO/p-Si heterojunction. At a low forward voltage, the current transport followed the dependence of I ∼ V(1.47), which was attributed to the deep-level assisted tunneling. When the forward voltage was larger than 10 V, the current followed the relation of I ∼ V(2) because of the radiative recombination process. In accordance with the above conclusion, the near-infrared electroluminescence of the diode could be observed after the forward bias voltage up to 11.6 V at room temperature. In addition, the size quantization effect and the intrinsic electron accumulation of the InN core-shell nanorods were investigated to explain the blueshift and broadened bandwidth. Furthermore, the light output power of about 0.6 microwatt at a fixed wavelength of 1500 nm indicated that our study will further provide a useful route for realizing the near-infrared electroluminescence of InN on Si substrate. PMID:27418413

  2. A Lorentz Covariant Holoraumy-Induced "Gadget" From Minimal Off-Shell 4D, N = 1 Supermultiplets

    CERN Document Server

    Gates,, S J; Miller-Dickson, M D; Mondal, B A; Oskoui, A; Regmi, S; Ross, E; Shetty, R

    2015-01-01

    Starting from three minimal off-shell 4D, $\\cal N$ = 1 supermultiplets, using constructions solely defined within the confines of the four dimensional field theory we show the existence of a "gadget" - a member of a class of metrics on the representation space of the supermultiplets - whose values directly and completely correspond to the values of a metric defined on the 1d, $N$ = 4 adinkra networks adjacency matrices corresponding to the projections of the four dimensional supermultiplets.

  3. [Study of emission spectra of N atom generated in multi-needle-to-plate corona discharge].

    Science.gov (United States)

    Ge, Hui; Yu, Ran; Zhang, Lu; Mi, Dong; Zhu, Yi-Min

    2012-06-01

    The emission spectra of nitrogen (N) atom produced by multi-needle-to-plate negative corona discharge in air were detected successfully at one atmosphere, and the excited transition spectral line at 674.5 nm with maximum value of relative intensity was selected to investigate the influences of air and electrical parameters on N atom relative density. The results indicate that N atom relative density in ionization region increases with the increase in power; decreases with increasing discharge gap and relative humidity; and with the increase in N2 content, the relative density of N active atom firstly increases and then decreases. Under present experimental conditions, the maximum value of N atom relative density appears at the axial distance from needle point r = 1 mm. PMID:22870624

  4. Direct correlations of structural and optical properties of three-dimensional GaN/InGaN core/shell micro-light emitting diodes

    Science.gov (United States)

    Sadat Mohajerani, Matin; Müller, Marcus; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-H.; Veit, Peter; Bertram, Frank; Christen, Jürgen; Waag, Andreas

    2016-05-01

    Three-dimensional (3D) InGaN/GaN quantum-well (QW) core–shell light emitting diodes (LEDs) are a promising candidate for the future solid state lighting. In this contribution, we study direct correlations of structural and optical properties of the core–shell LEDs using highly spatially-resolved cathodoluminescence spectroscopy (CL) in combination with scanning electron microscopy (SEM) and scanning transmission electron microscopy (STEM). Temperature-dependent resonant photoluminescence (PL) spectroscopy has been performed to understand recombination mechanisms and to estimate the internal quantum efficiency (IQE).

  5. Study of the effect of shell stabilization of the collective isovector valence-shell excitations along the N=80 isotonic chain

    CERN Multimedia

    Blazhev, A A; Kruecken, R; Coquard, L; Bloch, T P; Wadsworth, R; Danchev, M T; Jenkins, D G; Kroell, T; Leske, J

    It is proposed to initiate an experimental program to study the quadrupole-collective isovector valence-shell excitations the so-called mixed-symmetry states (MSSs) of unstable nuclei from the N = 80 isotonic chain. The main aim of this program is to investigate the microscopic mechanism which leads to a concentration or a fragmentation of the MSSs, an effect dubbed $\\textit{shell stabilization}$ of MSSs. This will be achieved by identification of MSSs of the unstable nuclei $^{140}$Nd and $^{142}$Sm. The MSSs of these nuclei will be identified experimentally by measuring their relative populations with respect to the population of the first 2$^{+}$ states in inverse kinematics Coulomb excitation (CE) reactions on light targets. As a first step of this program we apply for a beam time for the radioactive $^{140}$Nd and $^{142}$Sm beams at beam energy of 2.85 MeV/u. These beams will be used to determine the absolute B(E2;2$_{1}^{+} \\rightarrow$ 0$_{1}^{+}$) values for $^{140}$Nd and $^{142}$Sm in Coulomb excit...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-06-15

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

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

    International Nuclear Information System (INIS)

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

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

    Science.gov (United States)

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

    1990-02-01

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

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

    International Nuclear Information System (INIS)

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

  10. Ab initio investigation of the adsorption of atomic and molecular hydrogen on AlN nanotubes

    International Nuclear Information System (INIS)

    Highlights: • The adsorption characteristics of hydrogen inside the zigzag and armchair AlN nanotubes are explored. • The AlN nanotubes can store hydrogen up to 8.89 wt% with the average binding energies of 0.2–0.4 eV/H-2. - Abstract: The adsorption of atomic and molecular hydrogen on zigzag and armchair AlN nanotubes is investigated within the ab initio density functional theory. The adsorption configurations are magnetic when the H atom is adsorbed on the Al atom and the center of a hexagon. The total magnetic moment is 1.00 μB which comes from the H atom and the nearest neighbor N atoms. The barrier height of various adsorption configurations is very low, indicating that the adsorbed H atom can easily transform into other forms. The adsorption energies of hydrogen atoms to the zigzag and armchair AlN nanotubes are calculated at 25%, 50%, 75%, 100%, 133%, and 200% coverages, the most favorable adsorption configurations are 100% hydrogen coverages. The adsorption configuration of hydrogen molecule adsorbed on the Al atom is the most energetically favorable. Each Al atom is capable of binding one hydrogen molecule, corresponding to the hydrogen gravimetric density to 8.89 wt%. Our theoretical study demonstrates that AlN nanotube can be a potential candidate for the hydrogen storage materials

  11. Thermal stability of TiAlN/CrN multilayer coatings studied by atom probe tomography

    International Nuclear Information System (INIS)

    This study is about the microstructural evolution of TiAlN/CrN multilayers (with a Ti:Al ratio of 0.75:0.25 and average bilayer period of 9 nm) upon thermal treatment. Pulsed laser atom probe analyses were performed in conjunction with transmission electron microscopy and X-ray diffraction. The layers are found to be thermally stable up to 600 oC. At 700 oC TiAlN layers begin to decompose into Ti- and Al-rich nitride layers in the out-of-plane direction. Further increase in temperature to 1000 oC leads to a strong decomposition of the multilayer structure as well as grain coarsening. Layer dissolution and grain coarsening appear to begin at the surface. Domains of AlN and TiCrN larger than 100 nm are found, together with smaller nano-sized AlN precipitates within the TiCrN matrix. Fe and V impurities are detected in the multilayers as well, which diffuse from the steel substrate into the coating along columnar grain boundaries. -- Research Highlights: → TiAlN/CrN multilayer coating is stable in vacuum at temperatures up to 600 oC. → TiAlN layers start to decompose at 700 oC in Al- and Ti-rich layers (not spinodally). → Decomposition of TiAlN/CrN is not uniform and more severe in the surface region. → Fe and V intensively diffuse from the substrate into TiAlN/CrN coating at 1000 oC.

  12. Investigation of leakage current paths in n-GaN by conductive atomic force microscopy

    International Nuclear Information System (INIS)

    We have investigated electrical characteristics of leakage current paths in n-GaN layer grown by metal-organic chemical vapor deposition with conductive-atomic force microscopy (C-AFM). The C-AFM mapping shows two kinds of leakage current paths existing in the n-GaN layer: open-core dislocation and pure screw dislocation. From the localized I-V curves measured by C-AFM, we confirmed that the open-core screw dislocation shows more significant leakage current. We explained these results in terms of a modified Schottky band model based on donor states formed by oxygen segregation at the (10−10) sidewall of the open-core screw dislocation

  13. Expanding shell and star formation in the infrared dust bubble N6

    International Nuclear Information System (INIS)

    We have carried out a multiwavelength study of the infrared dust bubble N6 to extensively investigate the molecular environs and star-forming activities therein. Mapping observations in 12CO J = 1-0 and 13CO J = 1-0 performed with the Purple Mountain Observatory 13.7 m telescope have revealed four velocity components. Comparison between distributions of each component and the infrared emission suggests that three components are correlated with N6. There are 10 molecular clumps detected. Among them, five have reliable detections in both 12CO and 13CO and have similar LTE and non-LTE masses ranging from 200 to higher than 5000 M ☉. With larger gas masses than virial masses, these five clumps are gravitationally unstable and have the potential to collapse to form new stars. The other five clumps are only reliably detected in 12CO and have relatively small masses. Five clumps are located on the border of the ring structure, and four of them are elongated along the shell. This is well in agreement with the collect-and-collapse scenario. The detected velocity gradient reveals that the ring structure is still under expansion owing to stellar winds from the exciting star(s). Furthermore, 99 young stellar objects (YSOs) have been identified based on their infrared colors. A group of YSOs reside inside the ring, indicating active star formation in N6. Although no confirmative features of triggered star formation are detected, the bubble and the enclosed H II region have profoundly reconstructed the natal cloud and altered the dynamics therein.

  14. Expanding Shell and Star Formation in the Infrared Dust Bubble N6

    Science.gov (United States)

    Yuan, Jing-Hua; Wu, Yuefang; Li, Jin Zeng; Liu, Hongli

    2014-12-01

    We have carried out a multiwavelength study of the infrared dust bubble N6 to extensively investigate the molecular environs and star-forming activities therein. Mapping observations in 12CO J = 1-0 and 13CO J = 1-0 performed with the Purple Mountain Observatory 13.7 m telescope have revealed four velocity components. Comparison between distributions of each component and the infrared emission suggests that three components are correlated with N6. There are 10 molecular clumps detected. Among them, five have reliable detections in both 12CO and 13CO and have similar LTE and non-LTE masses ranging from 200 to higher than 5000 M ⊙. With larger gas masses than virial masses, these five clumps are gravitationally unstable and have the potential to collapse to form new stars. The other five clumps are only reliably detected in 12CO and have relatively small masses. Five clumps are located on the border of the ring structure, and four of them are elongated along the shell. This is well in agreement with the collect-and-collapse scenario. The detected velocity gradient reveals that the ring structure is still under expansion owing to stellar winds from the exciting star(s). Furthermore, 99 young stellar objects (YSOs) have been identified based on their infrared colors. A group of YSOs reside inside the ring, indicating active star formation in N6. Although no confirmative features of triggered star formation are detected, the bubble and the enclosed H II region have profoundly reconstructed the natal cloud and altered the dynamics therein.

  15. Shell Venster

    International Nuclear Information System (INIS)

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

  16. Russia`s atomic tsar: Viktor N. Mikhailov

    Energy Technology Data Exchange (ETDEWEB)

    Reams, C.A. [Los Alamos National Lab., NM (United States). Center for International Security Affairs

    1996-12-01

    Minatom (Ministry of Atomic Energy) was created to manage Russia`s nuclear weapons program in the age of disarmament. The ministry is responsible for the development, production, and maintenance of nuclear weapons, warhead dismantlement, the production of nuclear materials for weapons, the disposition of nuclear materials disassembled from warheads, the administration of Russia`s vast nuclear weapons complex, the development of policy for the future role of Russia`s nuclear complex and payment of employees entrusted with such tasks. Thus, Minatom is instrumental in the implementation of arms control, disarmament and nonproliferation agreements. The director of Minatom, Viktor N. Mikhailov, wields a great deal of power and influence over Russia`s nuclear infrastructure. He is an important player amidst efforts to reduce the threats posed by Russia`s decaying nuclear complex. There are certainly other personalities in the Russian government who influence Minatom; however, few affect the ministry as profoundly as Mikhailov. His ability to influence Russia`s nuclear complex has been clearly demonstrated by his policies in relation to the US purchase of Russian highly enriched uranium, the planned fissile material storage facility at Mayak, materials protection, control and accountability programs, and his unwavering determination to sell Iran commercial nuclear technology. Mikhailov has also been a key negotiator when dealing with the US on issues of transparency of weapons dismantlement and fissile material disposition, as well as the use of US threat reduction funds. His policies and concerns in these areas will affect the prospects for the successful negotiation and implementation of future nuclear threat reduction programs and agreements with Russia.

  17. Emission Characteristics of InGaN/GaN Core-Shell Nanorods Embedded in a 3D Light-Emitting Diode

    OpenAIRE

    Jung, Byung Oh; Bae, Si-Young; Lee, Seunga; Kim, Sang Yun; Lee, Jeong Yong; Honda, Yoshio; AMANO, Hiroshi

    2016-01-01

    We report the selective-area growth of a gallium nitride (GaN)-nanorod-based InGaN/GaN multiple-quantum-well (MQW) core-shell structure embedded in a three-dimensional (3D) light-emitting diode (LED) grown by metalorganic chemical vapor deposition (MOCVD) and its optical analysis. High-resolution transmission electron microscopy (HR-TEM) observation revealed the high quality of the GaN nanorods and the position dependence of the structural properties of the InGaN/GaN MQWs on multiple facets. ...

  18. Shell evolution approaching the N = 20 island of inversion: Structure of 26Na

    Science.gov (United States)

    Wilson, G. L.; Catford, W. N.; Orr, N. A.; Diget, C. Aa.; Matta, A.; Hackman, G.; Williams, S. J.; Celik, I. C.; Achouri, N. L.; Al Falou, H.; Ashley, R.; Austin, R. A. E.; Ball, G. C.; Blackmon, J. C.; Boston, A. J.; Boston, H. C.; Brown, S. M.; Cross, D. S.; Djongolov, M.; Drake, T. E.; Hager, U.; Fox, S. P.; Fulton, B. R.; Galinski, N.; Garnsworthy, A. B.; Jamieson, D.; Kanungo, R.; Leach, K. G.; Orce, J. N.; Pearson, C. J.; Porter-Peden, M.; Sarazin, F.; Simpson, E. C.; Sjue, S.; Smalley, D.; Sumithrarachchi, C.; Triambak, S.; Unsworth, C.; Wadsworth, R.

    2016-08-01

    The levels in 26Na with single particle character have been observed for the first time using the d(25Na, pγ) reaction at 5 MeV/nucleon. The measured excitation energies and the deduced spectroscopic factors are in good overall agreement with (0 + 1) ħω shell model calculations performed in a complete spsdfp basis and incorporating a reduction in the N = 20 gap. Notably, the 1p3/2 neutron configuration was found to play an enhanced role in the structure of the low-lying negative parity states in 26Na, compared to the isotone 28Al. Thus, the lowering of the 1p3/2 orbital relative to the 0f7/2 occurring in the neighbouring Z = 10 and 12 nuclei - 25,27Ne and 27,29Mg - is seen also to occur at Z = 11 and further strengthens the constraints on the modelling of the transition into the island of inversion.

  19. Shell evolution approaching the N=20 island of inversion: Structure of 26Na

    Directory of Open Access Journals (Sweden)

    G.L. Wilson

    2016-08-01

    Full Text Available The levels in 26Na with single particle character have been observed for the first time using the d(25Na, pγ reaction at 5 MeV/nucleon. The measured excitation energies and the deduced spectroscopic factors are in good overall agreement with (0+1ħω shell model calculations performed in a complete spsdfp basis and incorporating a reduction in the N=20 gap. Notably, the 1p3/2 neutron configuration was found to play an enhanced role in the structure of the low-lying negative parity states in 26Na, compared to the isotone 28Al. Thus, the lowering of the 1p3/2 orbital relative to the 0f7/2 occurring in the neighbouring Z=10 and 12 nuclei – 25,27Ne and 27,29Mg – is seen also to occur at Z=11 and further strengthens the constraints on the modelling of the transition into the island of inversion.

  20. Shell evolution approaching the N=20 island of inversion: structure of 26Na

    CERN Document Server

    Wilson, G L; Orr, N A; Diget, C Aa; Matta, A; Hackman, G; Williams, S J; Celik, I C; Achouri, N L; Falou, H Al; Ashley, R; Austin, R A E; Ball, G C; Blackmon, J C; Boston, A J; Boston, H C; Brown, S M; Cross, D S; Djongolov, M; Drake, T E; Hager, U; Fox, S P; Fulton, B R; Galinski, N; Garnsworthy, A B; Jamieson, D; Kanungo, R; Leach, K; Orce, J N; Pearson, C J; Porter-Peden, M; Sarazin, F; Simpson, E C; Sjue, S; Smalley, D; Sumithrarachchi, C; Triambak, S; Unsworth, C; Wadsworth, R

    2015-01-01

    The levels in 26Na with single particle character have been observed for the first time using the d(25Na,p gamma) reaction at 5 MeV/nucleon. The measured excitation energies and the deduced spectroscopic factors are in good overall agreement with (0+1) hbar-omega shell model calculations performed in a complete spsdfp basis and incorporating a reduction in the N=20 gap. Notably, the 1p3/2 neutron configuration was found to play an enhanced role in the structure of the low-lying negative parity states in 26Na, compared to the isotone 28Al. Thus, the lowering of the 1p3/2 orbital relative to the 0f7/2 occuring in the neighbouring Z=10 and 12 nuclei -- 25,27Ne and 27,29Mg -- is seen to extend to Z=11. Together with the newly measured splitting of the spin multiplets formed by odd-odd proton-neutron coupling, this provides further, stronger constraints on the modelling of the transition into the island of inversion.

  1. Atom-Rydberg-atom chemi-ionization processes in solar and DB white-dwarf atmospheres in the presence of (n - n')-mixing channels

    Science.gov (United States)

    Mihajlov, A. A.; Srećković, V. A.; Ignjatović, Lj. M.; Dimitrijević, M. S.

    2016-05-01

    In this paper, the rate coefficients of the chemi-ionization processes in H(1s) + H*(n, l) and He(1s2) + He*(n, l) collisions (where the principal quantum number n ≫ 1) are determined for the first time, taking into account the influence of the corresponding (n - n')-mixing processes. It is demonstrated that the inclusion of (n - n') mixing in the calculation influences the values of chemi-ionization rate coefficients significantly, particularly in the lower part of the block of Rydberg states. The interpretation of this influence is based on two existing methods of describing inelastic processes in symmetrical atom-Rydberg-atom collisions. The calculations of the chemi-ionization rate coefficients are performed for the temperature region that is characteristic of solar and DB white-dwarf atmospheres.

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

    Science.gov (United States)

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

    2016-05-01

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

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

    OpenAIRE

    Woodley, S. M.

    2013-01-01

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

  4. Transformation mechanism of n-butyl terminated Si nanoparticles embedded into Si1-xCx nanocomposites mixed with Si nanoparticles and C atoms

    International Nuclear Information System (INIS)

    Bright-field transmission electron microscopy (TEM) images, high-resolution TEM (HRTEM) images, and fast-Fourier transformed electron-diffraction patterns showed that n-butyl terminated Si nanoparticles were aggregated. The formation of Si1-xCx nanocomposites was mixed with Si nanoparticles and C atoms embedded in a SiO2 layer due to the diffusion of C atoms from n-butyl termination shells into aggregated Si nanoparticles. Atomic force microscopy (AFM) images showed that the Si1-xCx nanocomposites mixed with Si nanoparticles and C atoms existed in almost all regions of the SiO2 layer. The formation mechanism of Si nanoparticles and the transformation mechanism of n-butyl terminated Si nanoparticles embedded into Si1-xCx nanocomposites mixed with Si nanoparticles and C atoms are described on the basis of the TEM, HRTEM, and AFM results. These results can help to improve the understanding of the formation mechanism of Si nanoparticles.

  5. Dopant distributions in n-MOSFET structure observed by atom probe tomography.

    Science.gov (United States)

    Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

    2009-11-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted. PMID:19775815

  6. Dopant distributions in n-MOSFET structure observed by atom probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, K., E-mail: koji.inoue@hs3.ecs.kyoto-u.ac.jp [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yano, F.; Nishida, A. [MIRAI-Selete, Tsukuba, Ibaraki 305-8569 (Japan); Takamizawa, H. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Tsunomura, T. [MIRAI-Selete, Tsukuba, Ibaraki 305-8569 (Japan); Nagai, Y. [The Oarai Center, Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Hasegawa, M. [Institute for Materials Research, Tohoku University, Sendai, Miyagi 980-8577 (Japan); Cyclotron and Radioisotope Center, Tohoku University, Sendai 980-8578 (Japan)

    2009-11-15

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

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

    Science.gov (United States)

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

    2007-04-01

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

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

    OpenAIRE

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

    2012-01-01

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

  9. Study of the N=50 shell closure close to 78Ni

    International Nuclear Information System (INIS)

    The PARRNe (Production d'Atomes Radioactifs Riches en Neutrons) experimental program has been part of the recent R and D efforts for the design of the SPIRAL2 project at GANIL. The PARRNe2 set-up installed at IPNOrsay allows the use of the Tandem as a deuteron driver in order to produce mass separated fission fragment beams. The measured fission fragment yields proved to be high enough to undertake a series of β-decay experiments dedicated at studying the structure of proton-deficient nuclei close to N=50. We report here on two such experiments, the first being dedicated at the observation of the decay of 83Ga →83Ge (Z=32, N=51), 84Ga→84Ge (Z=32, N=52) and the second of the decay of 81Zn →81Ga (Z=31, N=50) allowing for the first time the identification of a few γ lines with transitions in the daughter nuclei thus providing the material for a preliminary glimpse of their structure. (author)

  10. Study of the N=40 shell by using Coulomb excitation; Etude par excitation coulombienne de la fermeture de couche N=40

    Energy Technology Data Exchange (ETDEWEB)

    Leenhardt, St

    2000-01-01

    Two Coulomb excitation experiments on neutron rich exotic nuclei have been performed at GANIL. They allowed the measurement of the reduced transition probability B(E2) (from ground state to first excited state) of some nuclei around N = 40. This number, 40, is a half-magic number in the shell model. For nuclei with an important neutron excess, it is predicted that the shell closure is stronger at N = 40. The B(E2) is a good tool for testing this growing. We have measured, by using the LISE3 spectrometer and a {gamma} multidetector, B(E2) of {sup 68}Ni, {sup 66}Ni and {sup 72}Zn, unknown till now. We have used for the first time segmented germanium 'clovers' detector, for photon detection (v/c{approx}0.3). Results confirm the strong shell effect for {sup 68}Ni. Indeed {sup 68}Ni was shown to be the Nickel isotope with the lowest value of B(E2), and hence the most rigid isotope. Nevertheless it seems that the shell effect at N = 40 decreases rapidly, for other isotopes very close to {sup 68}Ni(Z = 28) and N = 40). (authors)

  11. Defect-Induced Nucleation and Epitaxy: A New Strategy toward the Rational Synthesis of WZ-GaN/3C-SiC Core-Shell Heterostructures.

    Science.gov (United States)

    Liu, Baodan; Yang, Bing; Yuan, Fang; Liu, Qingyun; Shi, Dan; Jiang, Chunhai; Zhang, Jinsong; Staedler, Thorsten; Jiang, Xin

    2015-12-01

    In this work, we demonstrate a new strategy to create WZ-GaN/3C-SiC heterostructure nanowires, which feature controllable morphologies. The latter is realized by exploiting the stacking faults in 3C-SiC as preferential nucleation sites for the growth of WZ-GaN. Initially, cubic SiC nanowires with an average diameter of ∼100 nm, which display periodic stacking fault sections, are synthesized in a chemical vapor deposition (CVD) process to serve as the core of the heterostructure. Subsequently, hexagonal wurtzite-type GaN shells with different shapes are grown on the surface of 3C-SiC wire core. In this context, it is possible to obtain two types of WZ-GaN/3C-SiC heterostructure nanowires by means of carefully controlling the corresponding CVD reactions. Here, the stacking faults, initially formed in 3C-SiC nanowires, play a key role in guiding the epitaxial growth of WZ-GaN as they represent surface areas of the 3C-SiC nanowires that feature a higher surface energy. A dedicated structural analysis of the interfacial region by means of high-resolution transmission electron microscopy (HRTEM) revealed that the disordering of the atom arrangements in the SiC defect area promotes a lattice-matching with respect to the WZ-GaN phase, which results in a preferential nucleation. All WZ-GaN crystal domains exhibit an epitaxial growth on 3C-SiC featuring a crystallographic relationship of [12̅10](WZ-GaN) //[011̅](3C-SiC), (0001)(WZ-GaN)//(111)(3C-SiC), and d(WZ-GaN(0001)) ≈ 2d(3C-SiC(111)). The approach to utilize structural defects of a nanowire core to induce a preferential nucleation of foreign shells generally opens up a number of opportunities for the epitaxial growth of a wide range of semiconductor nanostructures which are otherwise impossible to acquire. Consequently, this concept possesses tremendous potential for the applications of semiconductor heterostructures in various fields such as optics, electrics, electronics, and photocatalysis for energy harvesting

  12. Direct measurement of desorption and diffusion energies of O and N atoms physisorbed on amorphous surfaces

    Science.gov (United States)

    Minissale, M.; Congiu, E.; Dulieu, F.

    2016-01-01

    Context. Physisorbed atoms on the surface of interstellar dust grains play a central role in solid state astrochemistry. Their surface reactivity is one source of the observed molecular complexity in space. In experimental astrophysics, the high reactivity of atoms also constitutes an obstacle to measuring two of the fundamental properties in surface physics, namely desorption and diffusion energies, and so far direct measurements are non-existent for O and N atoms. Aims: We investigated the diffusion and desorption processes of O and N atoms on cold surfaces in order to give boundary conditions to astrochemical models. Methods: Here we propose a new technique for directly measuring the N- and O-atom mass signals. Including the experimental results in a simple model allows us to almost directly derive the desorption and diffusion barriers of N atoms on amorphous solid water ice (ASW) and O atoms on ASW and oxidized graphite. Results: We find a strong constraint on the values of desorption and thermal diffusion energy barriers. The measured barriers for O atoms are consistent with recent independent estimations and prove to be much higher than previously believed ( Edes = 1410-160+290; Edif = 990 -360+530 K on ASW). As for oxygen atoms, we propose that the combination Edes - Edif = 1320-750 K is a sensible choice among the possible pairs of solutions. Also, we managed to measure the desorption and diffusion energy of N atoms for the first time (Edes = 720-80+160; Edif = 525-200+260 K on ASW) in the thermal hopping regime and propose that the combination Edes-Edif = 720-400 K can be reasonably adopted in models. The value of Edif for N atoms is slightly lower than previously suggested, which implies that the N chemistry on dust grains might be richer.

  13. Theoretical Study on Adsorption and Diffusion of N Atoms on Cu Low-index Surface

    Institute of Scientific and Technical Information of China (English)

    DIAO, Zhao-Yu(刁兆玉); ZHANG, Xiao-Ming(张晓明); WANG, Ze-Xin(王泽新); HAN, Ling-Li(韩玲利)

    2004-01-01

    The adsorption and diffusion of N atoms on the three low-index Cu planes were studied using 5-parameter Morse potential (5-MP) method, and the best theory-experiment agreement was obtained. N atoms of Cu(100) surface sit on the fourfold hollow site with the vertical height of 0.018 nm closely coplanar with the topmost copper layer, and the four Cu-N bond lengths are 0.182 nm and the fifth Cu-N distance is 0.199 nm. For Cu(111) system,the existence of aberrant Cu(100) reconstructed structure is approved at higher coverage, and at low coverage the structure is almost an ideal Cu(111) surface structure. With respect to Cu(110) system, the N atoms are adsorbed at LB and H3 sites, not at SB site. The diffusion passage and diffusion barrier of adsorbed N atoms were also studied.

  14. Thermal stability of TiAlN/CrN multilayer coatings studied by atom probe tomography.

    Science.gov (United States)

    Choi, Pyuck-Pa; Povstugar, Ivan; Ahn, Jae-Pyeong; Kostka, Aleksander; Raabe, Dierk

    2011-05-01

    This study is about the microstructural evolution of TiAlN/CrN multilayers (with a Ti:Al ratio of 0.75:0.25 and average bilayer period of 9 nm) upon thermal treatment. Pulsed laser atom probe analyses were performed in conjunction with transmission electron microscopy and X-ray diffraction. The layers are found to be thermally stable up to 600 °C. At 700 °C TiAlN layers begin to decompose into Ti- and Al-rich nitride layers in the out-of-plane direction. Further increase in temperature to 1000 °C leads to a strong decomposition of the multilayer structure as well as grain coarsening. Layer dissolution and grain coarsening appear to begin at the surface. Domains of AlN and TiCrN larger than 100 nm are found, together with smaller nano-sized AlN precipitates within the TiCrN matrix. Fe and V impurities are detected in the multilayers as well, which diffuse from the steel substrate into the coating along columnar grain boundaries. PMID:21146308

  15. Multi-ℎω shell model analyses of elastic and inelastic proton scattering from 14N and 16O

    International Nuclear Information System (INIS)

    Elastic and inelastic scattering data from the scattering of 160 MeV protons from 14N, and of 200 MeV protons from 16O have been analysed using a fully microscopic Distorted Wave Approximation. The analyses involve large space (multi-ℎ ω) shell model wave functions, an effective nucleon-nucleon interaction that is energy and medium dependent, and fully microscopic (nonlocal) optical potentials built with that same effective interaction. The results for 14N and 16O correlate with analyses of elastic and inelastic electron scattering form factors indicating that improvements are needed in the shell model interactions used to obtain the nuclear wave functions. 28 refs., 2 tabs., 8 figs

  16. Initial imperfection survey on a cylindrical shell at the Ultra-Centrifuge Nederland n.v

    International Nuclear Information System (INIS)

    The results of the initial imperfection survey of a circular shell, with an inner- and outer-skin made out of carbon fibres with an aluminium honey-comb in between, are presented. At UCN the shell is called the ''Demonstrator Model'' shortly the ''Demonstrator''. The modal components of the measured imperfection surface as a function of the circumferential and axial wave numbers are calculated. The characteristic imperfection distributions associated with the fabrication process used are presented. (orig.)

  17. The relativistic consistent angular-momentum projected shell model study of the N=Z nucleus 52Fe

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The relativistic consistent angular-momentum projected shell model(ReCAPS) is used in the study of the structure and electromagnetic transitions of the low-lying states in the N=Z nucleus 52Fe.The model calculations show a reasonably good agreement with the data.The backbending at 12+ is reproduced and the energy level structure suggests that neutron-proton interactions play important roles.

  18. Nuclear and atomic models

    International Nuclear Information System (INIS)

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

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

    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.

  20. Evidence for an additional coupling of the innermost shells in very heavy quasi-molecular ion-atom collisions

    International Nuclear Information System (INIS)

    Due to the tremendous spin-orbit splitting of quasi-molecular levels in super-heavy collision systems (Z=Z1+Z2>approximately137) bombarding energy 0.5-6 MeV N-1, unusual couplings may occur around Z approximately equal to 165. Experimental evidence for such a theoretically predicted coupling is discussed. (author)

  1. Along the N=126 closed shell: study of $^{205}$Au through its $\\pi h_{11/2}^{-1}$ isomeric decay

    CERN Multimedia

    2002-01-01

    Excited states have been identified in only three of the N=126 closed shell nuclei 'below' $^{208}$Pb, $^{207}$Tl, $^{206}$Hg and very recently $^{204}$Pt. We aim to extend our knowledge of the neutron-rich N=126 nuclei by observing the internal decay of the $\\pi h^{-1}_{11/2}$ excited state in $^{205}$Au, which is expected to be isomeric. In addition, the decay of the analogous states in the N=122 and N=124 $^{201,203}$Au will be studied. The lifetimes of the expected isomeric states are crucial for the success of the experiment, and they are estimated to be in the range of 0.3-20 s. These are long enough to enable the extraction from the source, but shorter than the $\\beta$-decay half-lives. Proton single-particle energies and transition rates will be extracted, providing information about the robustness of the N=126 shell-closure. Three days of beam-time is requested.

  2. Impact of structural properties on the internal quantum efficiency of InGaN - GaN core-shell nanorods

    International Nuclear Information System (INIS)

    Core-shell III-nitride nanorods (NRs) have been proposed to solve a major issue in solid-state lighting, the so-called efficiency droop, by significantly increasing the active layer area scaling with the aspect ratio. However, the reported internal quantum efficiencies (IQE) in such core-shell structures are behind best planar LEDs. To study the processes limiting the IQE, position-controlled GaN/InGaN core-shell NRs were grown by MOVPE with diameters between 300 nm and 1.5 μm and aspect ratios of >5. The recombination processes in the InGaN quantum wells were investigated by temperature-dependent and time-resolved PL measurements. In addition, microscopic resolution was applied to correlate the structural properties obtained by SEM and Raman spectroscopy with optical properties. E.g., a double peak emission observed in micro-PL could be related to the semi-polar and non-polar facets of the InGaN quantum wells, respectively. The IQE values were deduced by temperature-dependent and time-resolved PL measurements.

  3. Direct measurement of desorption and diffusion energies of O and N atoms physisorbed on amorphous surfaces

    CERN Document Server

    Minissale, Marco; Dulieu, François

    2016-01-01

    Physisorbed atoms on the surface of interstellar dust grains play a central role in solid state astrochemistry. Their surface reactivity is one source of the observed molecular complexity in space. In experimental astrophysics, the high reactivity of atoms also constitutes an obstacle to measuring two of the fundamental properties in surface physics, namely desorption and diffusion energies, and so far direct measurements are non-existent for O and N atoms. We investigated the diffusion and desorption processes of O and N atoms on cold surfaces in order to give boundary conditions to astrochemical models. Here we propose a new technique for directly measuring the N- and O-atom mass signals. Including the experimental results in a simple model allows us to almost directly derive the desorption and diffusion barriers of N atoms on amorphous solid water ice (ASW) and O atoms on ASW and oxidized graphite. We find a strong constraint on the values of desorption and thermal diffusion energy barriers. The measured b...

  4. Epitaxial synthesis of GaN/Ga2O3 core/shell nanocable heterostructures by atmosphere control

    International Nuclear Information System (INIS)

    One-dimensional nanoheterostructures consisting of single crystalline hexagonal GaN nanowire cores and single crystalline monoclinic Ga2O3 shells were synthesized epitaxially using NH3 and O2 gases as the reaction agents in sequence during the thermal evaporation of GaN powders. It was possible to obtain a coaxial nanocable structure with a sharp interface and a uniform smooth surface which was formed by the heteroepitaxial overgrowth of a tubular Ga2O3 layer in the radial direction over the GaN nanowire core. The thickness of the Ga2O3 shell could be controlled by changing the flow rate of the oxidizing agent O2. The novel method introduced in this study enabled the epitaxial synthesis of coaxial GaN/Ga2O3 nanoheterostructures potentially suitable for the application to nanoscaled electronic device, demonstrating the advantages over conventional thermal oxidation process in terms of simplicity, morphological and geometrical controllability, and crystalline quality.

  5. Precision Mass Measurements with ISOLTRAP to Study the Evolution of the $\\textit{N}$=82 Shell Gap far from Stability

    CERN Multimedia

    Shell effects and their evolution across the nuclear chart impose important constraints on the modelling of the nucleon-nucleon interaction. The strength of shell closures in neutron-rich nuclei also influences the path of the $\\textit{r}$-process of nucleo-synthesis and the predicted elemental abundances. We propose to measure the masses of the isotopes $^{132,133}$In, $^{129-132}$Cd, $^{125-129}$Ag with the Penning-trap mass spectrometer ISOLTRAP. The recently developed multi-reflection time-of-flight mass separator of ISOLTRAP will allow, as a beam purifier, to handle higher contamination ratios than before and, for the more exotic cases, to directly determine the mass of the nuclides of interest. The masses of the proposed isotopes will allow the investigation of a possible weakening of the $\\textit{N}$ = 82 shell gap for $\\textit{Z}$ < 50 and corresponding $\\textit{r}$-process waiting point. This in turn enables an exploration of the impact on the $\\textit{A}$ = 130 $\\textit{r}$-process abundances.

  6. Is It Possible To Embed A 4D, N = 4 Supersymmetric Vector Multiplet Within A Completely Off-Shell Adinkra Hologram?

    CERN Document Server

    Calkins, M; Gates,, S J; McPeak, B

    2014-01-01

    We present evidence of the existence of a 1D, N = 16 SUSY hologram that can be used to understand representation theory aspects of a 4D, N = 4 supersymmetrical vector multiplet. In this context, the long-standing off-shell "SUSY problem" for the 4D, N = 4 Maxwell supermultiplet is precisely formulated as a problem in linear algebra.

  7. Atomic resolution investigations of phase transformation from TaN to CrTaN in a steel matrix

    DEFF Research Database (Denmark)

    Danielsen, Hilmar Kjartansson; Hald, John

    2012-01-01

    In development of 12%Cr high temperature steels used for fossil fired power plants, the precipitation of large Z-phase particles, CrMN, has been identified as a major problem since they replace small and finely distributed MN particles. This causes a premature breakdown in the longterm creep...... atoms diffuse from the steel matrix into TaN precipitates and physically transform them into CrTaN. The crystal structure of the precipitates changes from that of a typical MN NaCl type crystal structure to a Z-phase crystal structure with alternating double layers of Cr and TaN. Since there is a large...... contrast between heavy Ta atoms and light Cr atoms, the ordering of the Cr layers inside the TaN particles can clearly be observed....

  8. Electronic structure and magnetic properties of substitutional transition-metal atoms in GaN nanotubes

    International Nuclear Information System (INIS)

    The electronic structure and magnetic properties of the transition-metal (TM) atoms (Sc—Zn, Pt and Au) doped zigzag GaN single-walled nanotubes (NTs) are investigated using first-principles spin-polarized density functional calculations. Our results show that the bindings of all TM atoms are stable with the binding energy in the range of 6–16 eV. The Sc- and V-doped GaN NTs exhibit a nonmagnetic behavior. The GaN NTs doped with Ti, Mn, Ni, Cu and Pt are antiferromagnetic. On the contrary, the Cr-, Fe-, Co-, Zn- and Au-doped GaN NTs show the ferromagnetic characteristics. The Mn- and Co-doped GaN NTs induce the largest local moment of 4μB among these TM atoms. The local magnetic moment is dominated by the contribution from the substitutional TM atom and the N atoms bonded with it. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  9. Core polarization in the light of new experimental g factors of fp shell, N=28, isotones

    Science.gov (United States)

    Speidel, K.-H.; Ernst, R.; Kenn, O.; Gerber, J.; Maier-Komor, P.; Benczer-Koller, N.; Kumbartzki, G.; Zamick, L.; Fayache, M. S.; Sharon, Y. Y.

    2000-09-01

    Precise experimental g factors of the first 2+ states of 50Ti, 52Cr, and 54Fe have been measured. They differ markedly from the g factors of the (7/2)- ground states of the odd-mass neighbors. The experimental results show that the g factors, g(2+1) and g((7/2)-), lie approximately on straight lines as a function of Z albeit with different slopes. Shell model calculations were performed in which up to t nucleons were excited from the f7/2 shell. The data are reproduced by calculations using the FPD6 interaction with t=1. However, the slope flattens out in the calculations with higher t. The sign of a key matrix element which allows for f5/2 admixture is positive for the FPD6, zero for the KB3, and negative for the FPY interactions, respectively, indicating that a better understanding of the effective interaction in this region is needed.

  10. Sub-natural width N-type resonance in cesium atomic vapour: splitting in magnetic fields

    OpenAIRE

    D. Slavov; Sargsyan, A.; Sarkisyan, D.; Mirzoyan, R.; Krasteva, A.; Wilson-Gordon, A. D.; Cartaleva, S.

    2014-01-01

    The sub-natural-width $N$-type resonance in {\\Lambda}-system, on the $D_2$ line of Cs atoms is studied for the first time in the presence of a buffer gas (neon) and the radiations of two continuous narrow band diode lasers. $L$ = 1 cm long cell is used to investigate $N$-type process. The $N$-type resonance in a magnetic field for $^{133}$Cs atoms is shown to split into seven or eight components, depending on the magnetic field and laser radiation directions. The results obtained indicate tha...

  11. Electrocatalytic activity of atomic layer deposited Pt–Ru catalysts onto N-doped carbon nanotubes

    DEFF Research Database (Denmark)

    Johansson, Anne-Charlotte Elisabeth Birgitta; Larsen, Jackie Vincent; Verheijen, Marcel A.;

    2014-01-01

    Pt–Ru catalysts of various compositions, between 0 and 100at.% of Ru, were deposited onto N-doped multi-walled carbon nanotubes (N-CNTs) by atomic layer deposition (ALD) at 250°C. The Pt and Ru precursors were trimethyl(methylcyclopentadienyl)platinum (MeCpPtMe3) and bis...

  12. Large-scale shell-model calculations on the spectroscopy of $N<126$ Pb isotopes

    CERN Document Server

    Qi, Chong; Fu, G J

    2016-01-01

    Large-scale shell-model calculations are carried out in the model space including neutron-hole orbitals $2p_{1/2}$, $1f_{5/2}$, $2p_{3/2}$, $0i_{13/2}$, $1f_{7/2}$ and $0h_{9/2}$ to study the structure and electromagnetic properties of neutron deficient Pb isotopes. An optimized effective interaction is used. Good agreement between full shell-model calculations and experimental data is obtained for the spherical states in isotopes $^{194-206}$Pb. The lighter isotopes are calculated with an importance-truncation approach constructed based on the monopole Hamiltonian. The full shell-model results also agree well with our generalized seniority and nucleon-pair-approximation truncation calculations. The deviations between theory and experiment concerning the excitation energies and electromagnetic properties of low-lying $0^+$ and $2^+$ excited states and isomeric states may provide a constraint on our understanding of nuclear deformation and intruder configuration in this region.

  13. Measurement of the indium segregation in InGaN based LEDs with single atom sensitivity

    Energy Technology Data Exchange (ETDEWEB)

    Jinschek, Joerg; Kisielowski, Christian; Van Dyck, Dirk; Geuens, Philippe

    2003-07-30

    In light emitting diodes (LED) consisting of GaN/InGaN/GaN quantum wells (QWs), the exact indium distribution inside the wells of the active region affects the performance of devices. Indium segregation can take place forming small InGaN clusters of locally varying composition. In the past, we used a local strain analysis from single HRTEM lattice images to determine the In composition inside the InGaN QWs with a resolution of 0.5 nm x 0.3 nm. Truly atomic resolution can be pursued by exploitation of intensity dependencies on the atomic number (Z) of the electron exit-wave (EW). In microscopes with sufficient sensitivity, local variations of amplitude and phase are found to be discrete with sample thickness, which allows for counting the number of atoms in each individual column of {approx}0.08 nm diameter. In QW s of {approx}17 percent of average indium concentration it is possible to discriminate between pure Ga columns and columns containing 1, 2, 3, or more In atoms because phase changes are discrete and element specific. The preparation of samples with atomically flat surfaces is a limiting factor for the application of the procedure.

  14. Collinearity constraints for on-shell massless particle three-point functions, and implications for allowed-forbidden n +1 -point functions

    Science.gov (United States)

    Adler, Stephen L.

    2016-03-01

    A simple collinearity argument implies that the massless particle three-point function of helicities h1,h2,h3 with corresponding real-valued four-momenta k1,k2,k3 taken as all incoming or all outgoing (i.e., k1+k2+k3=0 ) vanishes by helicity conservation unless h1+h2+h3=0 . When any one particle with four-momentum k is off mass shell, this constraint no longer applies; a forbidden amplitude with h1+h2+h3≠0 on shell can be nonzero off shell, but it vanishes proportionally to k2 as k approaches mass shell. When an on-shell forbidden amplitude is coupled to an allowed n -point amplitude to form an n +1 -point function, this k2 factor in the forbidden amplitude cancels the k2 in the propagator, leading to an n +1 -point function that has no pole at k2=0 . We relate our results for real-valued four-momenta to the corresponding selection rules that have been derived in the on-shell literature for complexified four-momenta.

  15. Magnetic Co@g-C3N4 Core-Shells on rGO Sheets for Momentum Transfer with Catalytic Activity toward Continuous-Flow Hydrogen Generation.

    Science.gov (United States)

    Duan, Shasha; Han, Guosheng; Su, Yongheng; Zhang, Xiaoyu; Liu, Yanyan; Wu, Xianli; Li, Baojun

    2016-06-28

    Magnetic core-shell structures provide abundant opportunities for the construction of multifunctional composites. In this article, magnetic core-shells were fabricated with Co nanoparticles (NPs) as cores and g-C3N4 as shells. In the fabrication process, the Co@g-C3N4 core-shells were anchored onto the rGO nanosheets to form a Co@g-C3N4-rGO composite (CNG-I). For hydrogen generation from the hydrolysis of NaBH4 or NH3BH3, the Co NP cores act as catalytic active sites. The g-C3N4 shells protect Co NPs cores from aggregating or growing. The connection between Co NPs and rGO was strengthened by the g-C3N4 shells to prevent them from leaching or flowing away. The g-C3N4 shells also work as a cocatalyst for hydrogen generation. The magnetism of Co NPs and the shape of rGO nanosheets achieve effective momentum transfer in the external magnetic field. In the batch reactor, a higher catalytic activity was obtained for CNG-I in self-stirring mode than in magneton stirring mode. In the continuous-flow process, stable hydrogen generation was carried out with CNG-I being fixed and propelled by the external magnetic field. The separation film is unnecessary because of magnetic momentum transfer. This idea of the composite design and magnetic momentum transfer will be useful for the development of both hydrogen generation and multifunctional composite materials. PMID:27276187

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

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2013-02-01

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

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

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2013-02-01

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

  18. Position-controlled MOVPE growth and electro-optical characterization of core-shell InGaN/GaN microrod LEDs

    Science.gov (United States)

    Schimpke, Tilman; Lugauer, H.-J.; Avramescu, A.; Varghese, T.; Koller, A.; Hartmann, J.; Ledig, J.; Waag, A.; Strassburg, M.

    2016-03-01

    Today's InGaN-based white LEDs still suffer from a significant efficiency reduction at elevated current densities, the so-called "Droop". Core-shell microrods, with quantum wells (QWs) covering their entire surface, enable a tremendous increase in active area scaling with the rod's aspect ratio. Enlarging the active area on a given footprint area is a viable and cost effective route to mitigate the droop by effectively reducing the local current density. Microrods were grown in a large volume metal-organic vapor phase epitaxy (MOVPE) reactor on GaN-on-sapphire substrates with a thin, patterned SiO2 mask for position control. Out of the mask openings, pencil-shaped n-doped GaN microrod cores were grown under conditions favoring 3D growth. In a second growth step, these cores are covered with a shell containing a quantum well and a p-n junction to form LED structures. The emission from the QWs on the different facets was studied using resonant temperature-dependent photoluminescence (PL) and cathodoluminescence (CL) measurements. The crystal quality of the structures was investigated by transmission electron microscopy (TEM) showing the absence of extended defects like threading dislocations in the 3D core. In order to fabricate LED chips, dedicated processes were developed to accommodate for the special requirements of the 3D geometry. The electrical and optical properties of ensembles of tens of thousands microrods connected in parallel are discussed.

  19. Energetics of a Li Atom adsorbed on B/N doped graphene with monovacancy

    Science.gov (United States)

    Rani, Babita; Jindal, V. K.; Dharamvir, Keya

    2016-08-01

    We use density functional theory (DFT) to study the adsorption properties and diffusion of Li atom across B/N-pyridinic graphene. Regardless of the dopant type, B atoms of B-pyridinic graphene lose electron density. On the other hand, N atoms (p-type dopants) have tendency to gain electron density in N-pyridinic graphene. Higher chemical reactivity and electronic conductivity of B/N-pyridinic graphene are responsible for stronger binding of Li with the substrates as compared to pristine graphene. The binding energy of Li with B/N-pyridinic graphene exceeds the cohesive energy of bulk Li, making it energetically unfavourable for Li to form clusters on these substrates. Li atom gets better adsorbed on N-pyridinic graphene due to an additional p-p hybridization of the orbitals while Li on B-pyridinic prefers the ionic bonding. Also, significant distortion of N-pyridinic graphene upon Li adsorption is a consequence of the change in bonding mechanism between Li atom and the substrate. Our results show that bonding character and hence binding energies between Li and graphene can be tuned with the help of B/N doping of monovacancy defects. Further, the sites for most stable adsorption are different for the two types of doped and defective graphene, leading to greater Li uptake capacity of B-pyridinic graphene near the defect. In addition, B-pyridinic graphene offering lower diffusion barrier, ensures better Li kinetics. Thus, B-pyridinic graphene presents itself as a better anode material for LIBs as compared to N-pyridinic graphene.

  20. Arrangements of Interstitial Atoms in fcc Fe-C and Fe-N Solid Solutions

    International Nuclear Information System (INIS)

    The distribution of C and N atoms in the octahedral interstitial sites of the face-centred-cubic austenite phase of the Fe-C and the Fe-N alloys is controversial. In this work, Moessbauer experiments, the quasichemical approximation, the hard-blocking excluded-sites model, the chemical activity data, electron charge calculations and Monte Carlo simulations have been combined to advance in its understanding. A database is developed, with analyses of Moessbauer spectra using models assuming either ordered or random distributions of the interstitial atoms in the interstices around an Fe atom. The data are compared as a function the fraction of occupied sites, and various striking differences between Fe-N and Fe-C alloys are discussed. The experimental trends are confronted with predictions of combined theoretical approaches.

  1. Structural and optical study of core–shell InGaN layers of nanorod arrays with multiple stacks of InGaN/GaN superlattices for absorption of longer solar spectrum

    Science.gov (United States)

    Bae, Si-Young; Jung, Byung Oh; Lekhal, Kaddour; Lee, Dong-Seon; Deki, Manato; Honda, Yoshio; Amano, Hiroshi

    2016-05-01

    We report on the material and optical properties of core–shell InGaN layers grown on GaN nanorod arrays. The core–shell InGaN layers were well grown on polarization-reduced surfaces such as semipolar pyramids and nonpolar sidewalls. In addition, to compensate the biaxial strain between GaN and InGaN layers, we grew interlayers underneath a thick InGaN layer. Here, the interlayers were composed of multiple superlattice structures. We could observe that the indium composition of core–shell InGaN structures increased with the number of interlayers. This indicates that the absorption energy band of InGaN alloys can be better matched to the spectral irradiance of the solar spectrum in nature. We also implemented a simulation of Ga-polar and nonpolar InGaN-based solar cells based on the indium composition obtained from the experiments. The result showed that nonpolar InGaN solar cells had a much higher efficiency than Ga-polar InGaN solar cells with the same thickness of the absorption layer.

  2. Properties of few-electron artificial atoms

    OpenAIRE

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

    2000-01-01

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

  3. Spectroscopic atom symbolism

    International Nuclear Information System (INIS)

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

  4. Shape evolution in heavy sulfur isotopes and erosion of the N = 28 shell closure

    Czech Academy of Sciences Publication Activity Database

    Sohler, D.; Dombrádi, Zs.; Timár, J.; Sorlin, O.; Azaiez, F.; Amorini, F.; Belleguic, M.; Borgeois, C.; Donzaud, C.; Duprat, J.; Guilemaud-Mueller, D.; Ibrahim, F.; Scarpaci, J. A.; Stanoiu, M.; Lopez, M. J.; Saint Laurent, F.; Becker, F.; Sarazin, C.; Stodel, C.; Voltilini, G.; Lukyanov, S. M.; Maslov, V.; Penionzhkevich, Y. E.; Girod, M.; Péru, S.; Nowacki, F.; Sletten, G.; Lucas, R.; Theisen, C.; Baiborodin, Dmitri; Dlouhý, Zdeněk; Mrázek, Jaromír; Borcea, C.; Bauchet, A.; Moore, C. J.; Taylor, M. J.

    2002-01-01

    Roč. 66, - (2002), s. 054302. ISSN 0556-2813 R&D Projects: GA AV ČR IAA1048102 Keywords : neutron-rich * 40,42,44 S nuclei * çç-coincidence Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 2.848, year: 2002

  5. Dynamic atomic layer epitaxy of InN on/in +c-GaN matrix: Effect of "In+N" coverage and capping timing by GaN layer on effective InN thickness

    Science.gov (United States)

    Yoshikawa, Akihiko; Kusakabe, Kazuhide; Hashimoto, Naoki; Hwang, Eun-Sook; Itoi, Takaomi

    2016-01-01

    The growth front in the self-organizing and self-limiting epitaxy of ˜1 monolayer (ML)-thick InN wells on/in +c-GaN matrix by molecular beam epitaxy (MBE) has been studied in detail, with special attention given to the behavior and role of the N atoms. The growth temperatures of interest are above 600 °C, far higher than the typical upper critical temperature of 500 °C in MBE. It was confirmed that 2 ML-thick InN wells can be frozen/inserted in GaN matrix at 620 °C, but it was found that N atoms at the growth front tend to selectively re-evaporate more quickly than In atoms at temperatures higher than 650 °C. As a result, the effective thickness of inserted InN wells in the GaN matrix at 660-670 °C were basically 1 ML or sub-ML, even though they were capped by a GaN barrier at the time of 2 ML "In+N" coverage. Furthermore, it was found that the N atoms located below In atoms in the dynamic atomic layer epitaxy growth front had remarkably weaker bonding to the +c-GaN surface.

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

    International Nuclear Information System (INIS)

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

  7. Stark spectra of Rydberg states in atomic cesium in the vicinity of n=18

    Institute of Scientific and Technical Information of China (English)

    Dong Hui-Jie; Wang Ting; Li Chang-Yong; Zhao Jian-Ming; Zhang Lin-Jie

    2013-01-01

    The Stark structures in a cesium atom around n =18 are numerically calculated.The results show that the components of 20D states with a small azimuthal quantum number |m| shift upward a lot,and those with a large |m| shift downward a little within 1100 V/cm.All components of P states shift downward.Experimental work has been performed in ultracold atomic cesium.Atoms initially in 6P3/2 state are excited to high-n Rydberg states by a polarization light perpendicular to the field,and Stark spectra with 丨m丨=1/2,3/2,5/2 are simultaneously observed with a large linewidth for the first time.The observed spectra are analyzed in detail.The relative transition probability is calculated.The experimental results are in good agreement with our numerical computation.

  8. Lamb Shift of n = 1 and n = 2 States of Hydrogen-like Atoms, 1 ≤ Z ≤ 110

    International Nuclear Information System (INIS)

    Theoretical energy levels of the n = 1 and n = 2 states of hydrogen-like atoms with the nuclear charge numbers 1 ≤ Z ≤ 110 are tabulated. The tabulation is based on ab initio quantum electrodynamics calculations performed to all orders in the nuclear binding strength parameter Zα, where α is the fine structure constant. Theoretical errors due to various effects are critically examined and estimated

  9. Lamb Shift of n = 1 and n = 2 States of Hydrogen-like Atoms, 1 ≤ Z ≤ 110

    Energy Technology Data Exchange (ETDEWEB)

    Yerokhin, V. A. [Center for Advanced Studies, Peter the Great St. Petersburg Polytechnic University, Polytekhnicheskaya 29, St. Petersburg 195251 (Russian Federation); Shabaev, V. M. [Department of Physics, St. Petersburg State University, Ulianovskaya 1, Petrodvorets, St. Petersburg 198504 (Russian Federation)

    2015-09-15

    Theoretical energy levels of the n = 1 and n = 2 states of hydrogen-like atoms with the nuclear charge numbers 1 ≤ Z ≤ 110 are tabulated. The tabulation is based on ab initio quantum electrodynamics calculations performed to all orders in the nuclear binding strength parameter Zα, where α is the fine structure constant. Theoretical errors due to various effects are critically examined and estimated.

  10. Superdeformed band in the $N = Z+4$ nucleus $^{40}$Ar: A projected shell model analysis

    CERN Document Server

    Yang, Ying-Chun; Sun, Yang; Guidry, Mike

    2015-01-01

    It has been debated whether the experimentally-identified superdeformed rotational band in $^{40}$Ar [E. Ideguchi, et al., Phys. Lett. B 686 (2010) 18] has an axially or triaxially deformed shape. Projected shell model calculations with angular-momentum-projection using an axially-deformed basis are performed up to high spins. Our calculated energy levels indicate a perfect collective-rotor behavior for the superdeformed yrast band. However, detailed analysis of the wave functions reveals that the high-spin structure is dominated by mixed 0-, 2-, and 4-quasiparticle configurations. The calculated electric quadrupole transition probabilities reproduce well the known experimental data and suggest a reduced, but still significant, collectivity in the high spin region. The deduced triaxial deformation parameters are small throughout the entire band, suggesting that triaxiality is not very important for this superdeformed band.

  11. Template-free synthesis of hierarchical yolk-shell Co and N codoped porous carbon microspheres with enhanced performance for oxygen reduction reaction

    Science.gov (United States)

    Chao, Shujun; Cui, Qian; Wang, Kui; Bai, Zhengyu; Yang, Lin; Qiao, Jinli

    2015-08-01

    The structures and compositions of materials have important influences on their performance. Herein, hierarchically structured yolk-shell Co and N codoped porous carbon microspheres (YS-Co/N-PCMs) have been successfully synthesized by using low-cost melamine, formaldehyde and cobalt acetate as raw materials via a facile template-free hydrothermal method and a subsequent pyrolysis. The formation process of the yolk-shell precursor is systematically investigated, involving a morphological evolution process from solid microspheres, ultrathin and wrinkled shells wrap, to yolk-shell structure formation. More importantly, the unique structure combines the favorable features towards oxygen reduction reaction (ORR), such as high surface area, sufficient Co-Nx and graphitic N active sites and suitable pore structures. As a result, the YS-Co/N-PCMs catalyst shows high catalytic activity for ORR in alkaline media for fuel cells, which not only outperforms commercial Pt-based catalysts in terms of resistance to methanol crossover and long-time stability, but is also better than many non-precious metal doped carbon-based catalysts reported previously. In addition, the YS-Co/N-PCMs catalyst also has high catalytic activity toward oxygen evolution reaction (OER). Therefore, the YS-Co/N-PCMs catalyst may serve as a promising alternative to Pt/C catalyst for ORR and OER in alkaline media.

  12. Coulomb energy averaged over the nlN-atomic states with a definite spin

    International Nuclear Information System (INIS)

    A purely group-theoretical approach, based upon the use of properties of fractional-parentage coefficients and isoscalar factors, is developed for the derivation of the Coulomb energy averaged over the states, with a definite spin, arising from an atomic configuration nlN. (author) 15 refs

  13. Study of the effect of shell stabilization of the collective isovector valence-shell excitations along the N=80 isotonic chain

    CERN Multimedia

    It is proposed to investigate the microscopic mechanism which leads to a concentration or a fragmentation of the quadrupole-collective isovector valence-shell excitations, the so-called mixed-symmetry states (MSSs), an effect called shell stabilization of MSSs. This aim will be achieved by identification of MSSs of the unstable nuclei $^{140}$Nd and $^{142}$Sm. The first steps of this program have been undertaken in two subsequent REX-ISOLDE experiments (IS496) in which we have measured the B(E2; 2$^{+}_{1}$$\\rightarrow$ 0$^{+}_{1}$) transition strengths in the radioactive nuclei $^{140}$Nd and $^{142}$Sm. By using these data and the higher beam energy of HIE-ISOLDE we propose now to identify the MSSs of these nuclei by measuring their relative populations with respect to the population of the first 2$^{+}$ states in Coulomb excitation (CE) reactions.

  14. Core-shell structural nanodiamond@TiN supported Pt nanoparticles as a highly efficient and stable electrocatalyst for direct methanol fuel cells

    International Nuclear Information System (INIS)

    Highlights: • Core-shell structural nanodiamond@TiN was used as a novel support for Pt catalysts. • The ND@TiN support possessed a high electrochemical stability than carbon black. • The Pt/ND@TiN showed a higher catalytic activity for MOR and ORR than the Pt/C. • The Pt/ND@TiN demonstrated a much better durability compared with the Pt/C. - Abstract: A novel core-shell support material was designed with nanodiamond (ND) as core possessed excellent stability and TiN as shell improved the conductivity of support. The nano-TiN shell was decorated on the surface of ND by annealing TiO2 in nitrogen atmosphere, and the obtained ND@TiN was employed to support Pt nanoparticles (NPs). The ND@TiN support and Pt/ND@TiN electrocatalyst were characterized by X-ray diffraction and transmission electron microscopy. ND particles were coated uniformly by the TiN layer and Pt NPs with a mean size of 4.2 nm were highly dispersed on the surface of ND@TiN. The electrochemical results confirmed that the ND@TiN support possessed a much more stability than the carbon black and exhibited a bigger background current density than the ND. The Pt/ND@TiN catalyst showed higher catalytic activity and better stability in methanol oxidation and oxygen reduction reactions compared with the Pt/C and Pt/ND

  15. Neutron capture reactions relevant to the s and p processes in the region of the N =50 shell closure

    Science.gov (United States)

    Dutta, Saumi; Gangopadhyay, G.; Bhattacharyya, Abhijit

    2016-08-01

    The radiative neutron capture cross sections for nuclei participating in the s -process and the p -process nucleosynthesis in and around the N =50 closed neutron shell have been calculated in a statistical semimicroscopic Hauser-Feshbach approach for the energy range of astrophysical interest. A folded optical-model potential is constructed utilizing the standard DDM3Y real nucleon-nucleon interaction. The folding of the interaction with target radial matter densities, obtained from the relativistic mean-field theory, is done in coordinate space using the spherical approximation. The standard nuclear reaction code talys1.8 is used for cross-section calculation. The cross sections are compared with experimental results. Maxwellian-averaged cross sections and astrophysical reaction rates for a number of selected nuclei are also presented.

  16. Gamma-ray spectroscopy of high spin states near N = Z in the f{sub 7/2} shell

    Energy Technology Data Exchange (ETDEWEB)

    Bentley, M.A. [School of Sciences, Staffordshire University, College Road, Stoke-on-Trent (United Kingdom); O`Leary, C.D. [School of Sciences, Staffordshire University, College Road, Stoke-on-Trent (United Kingdom)]|[Oliver Lodge Laboratory, University of Liverpool, Liverpool (United Kingdom); Appelbe, D.E. [Oliver Lodge Laboratory, University of Liverpool, Liverpool (United Kingdom)]|[Department of Physics and Astronomy, McMaster University, Hamilton (Canada)] [and others

    1999-03-01

    Two pairs of mirror-nuclei, {sup 49}Mn/{sup 49}Cr and {sup 47}Cr/{sup 47}V, and the odd-odd N = Z nucleus {sup 46}V have been studied up to the f{sub 7/2}-shell band termination states. Differences in energy between isobaric analogue states in these nuclei have been measured and interpreted in terms of Coulomb effects. Through this work, we have shown that Coulomb energies are extremely sensitive to nuclear effects such as particle alignments, band terminations and shape changes. This has allowed us to investigate the extent to which the Coulomb energy can be used as a probe of the nuclear structure. (author) 25 refs, 5 figs

  17. Influence of atomic layer deposition valve temperature on ZrN plasma enhanced atomic layer deposition growth

    International Nuclear Information System (INIS)

    Atomic layer deposition (ALD) relies on a sequence of self-limiting surface reactions for thin film growth. The effect of non-ALD side reactions, from insufficient purging between pulses and from precursor self-decomposition, on film growth is well known. In this article, precursor condensation within an ALD valve is described, and the effect of the continuous precursor source from condensate evaporation on ALD growth is discussed. The influence of the ALD valve temperature on growth and electrical resistivity of ZrN plasma enhanced ALD (PEALD) films is reported. Increasing ALD valve temperature from 75 to 95 °C, with other process parameters being identical, decreased both the growth per cycle and electrical resistivity (ρ) of ZrN PEALD films from 0.10 to 0.07 nm/cycle and from 560 to 350 μΩ cm, respectively. Our results show that the non-ALD growth resulting from condensate accumulation is eliminated at valve temperatures close to the pressure corrected boiling point of precursor

  18. Influence of atomic layer deposition valve temperature on ZrN plasma enhanced atomic layer deposition growth

    Energy Technology Data Exchange (ETDEWEB)

    Muneshwar, Triratna, E-mail: muneshwa@ualberta.ca; Cadien, Ken [Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 2V4 (Canada)

    2015-11-15

    Atomic layer deposition (ALD) relies on a sequence of self-limiting surface reactions for thin film growth. The effect of non-ALD side reactions, from insufficient purging between pulses and from precursor self-decomposition, on film growth is well known. In this article, precursor condensation within an ALD valve is described, and the effect of the continuous precursor source from condensate evaporation on ALD growth is discussed. The influence of the ALD valve temperature on growth and electrical resistivity of ZrN plasma enhanced ALD (PEALD) films is reported. Increasing ALD valve temperature from 75 to 95 °C, with other process parameters being identical, decreased both the growth per cycle and electrical resistivity (ρ) of ZrN PEALD films from 0.10 to 0.07 nm/cycle and from 560 to 350 μΩ cm, respectively. Our results show that the non-ALD growth resulting from condensate accumulation is eliminated at valve temperatures close to the pressure corrected boiling point of precursor.

  19. High spin structure of nuclei near N = 50 shell gap and search for high-spin isomers using time stamped data

    International Nuclear Information System (INIS)

    Information on the high-spin states of nuclei promises to provide stringent test of the interaction of the Hamiltonian used in the calculation due to smaller basis space for high J-values. It is reported in a recent shell model review that no interaction is optimized for the region of interest around N = 50 and Z = 40 shell closure. The detailed spectroscopic information of the medium and high spin states in these nuclei is required to understand the shape transition between spherical and deformed shapes at N =60 as the higher orbitals are filled. Structure of isomers near shell closure carries important information of, for example, the extent of core excitation. In the present work, the spectroscopic study of the high spin states of 89Zr isotope have been discussed

  20. Optical trap potential control in N-type four level atoms by femtosecond Gaussian pulses

    CERN Document Server

    Chakraborty, Subhadeep

    2014-01-01

    In this work we present a scheme to control the optical dipole trap potential in an N-type four-level atomic system by using chirped femtosecond Gaussian pulses. The spatial size of the trap can be well controlled by tuning the beam waist of the Gaussian pulse and the detuning frequency. The trapping potential splits with increasing Rabi frequency about the center of the trap, a behavior analogous to the one observed experimentally in the context of trapping of nanoparticles with femtosecond pulses. An attempt is made to explain the physics behind this phenomenon by studying the spatial probability distribution of the atomic populations.

  1. The influence of interfaces and intra-band transitions on the band gap of CdS/HgS and GaN/X (X=InN, In0.33Ga0.67N) core/shell/shell quantum dot quantum well - A theoretical study

    Science.gov (United States)

    Ganesan, P.; Senthilkumar, L.

    2015-11-01

    A theoretical model is presented to calculate the 1s-1s transition energy of an exciton in spherically layered semiconductor quantum-dot quantum-well (QDQW), based on the LCAO variational method using effective mass approximation. The confinement energies of electron and hole and the Coulombic interaction energy between them are calculated for CdS/HgS/CdS, GaN/X/GaN (X=InN, In0.33Ga0.67N) (QDQW) with core/shell/shell structures. The results of the proposed model effectively accommodates the polarization effects at the interfaces of different semiconductor materials in a core/shell/shell structure and elucidates the significant influence of interfaces on the band gap with consistency among previous theoretical and experimental results. The wave function of exciton studied shows significant differences with other theory. The change in the band gap of QDQW is attributed to the exciton excitations by thermal occupation of the lowest dark exciton states at different temperatures. In addition, based on Quantum Confined Stark Effect (QCSE) the effect of high electric field on the charge carriers and the corresponding changes in the band gap has been investigated. The applied electric field provides strong overlap between the electron and hole wave functions as well as increases the binding energy of the exciton, which eventually decreases the band gap.

  2. Effects of substitutions of C atoms by Al and N in the w-AlN compound

    Science.gov (United States)

    Murillo, J. F.; Ortega, C.; Espitia, M. J.

    2016-02-01

    We present ab-initio calculations in the pseudopotential approximation for the carbon atoms substitutions by aluminium and nitrogen sites at the AlN compound in wurtzite phase. Structural parameters for the AlN with and without carbon were optimized. Subsequently, the electronic and magnetic properties are determined by the density of states (DOS). Also it was determined that Carbon substitutions (AlN:C) are quite stable. This substitution exhibits magnetic properties, indicating that these compounds are good candidates for possible application in diluted magnetic semiconductors, spin injectors, and other spintronics applications.

  3. VizieR Online Data Catalog: N-like ions atomic data (Radziute+, 2015)

    Science.gov (United States)

    Radziute, L.; Ekman, J.; Jonsson, P.; Gaigalas, G.

    2015-08-01

    Table 5. Excitation energy in cm-1 for the active sets n=8 (E{cal,n=8}) and n=9 (E{cal,n=9}) in LSJ-coupling for FeXX compared with Gu (2005, Cat. J/ApJS/156/105) (E_{CI+MBPT} ) and observed energies Eobs from NIST Atomic Spectra Database (Kramida et al., 2013, NIST Atomic Spectra Database (version 5.1) (Gaithersburg, MD: US NIST)). Tables 6, 8, 10, 12. Excitation energy E (in cm-1), hyperfine magnetic dipole constants AJ(I/μI) (in MHz per units of μ_N), electric quadrupole constants BJ/Q (MHz/barn), Lande gJ-factors, normal mass shift {widetilde}K_{NMS} (GHzu) parameters, specific mass shift {widetilde}K_{SMS} (GHzu), field shift {widetilde}F (GHz/fm2) parameters for levels of FeXX, CrXVIII, NiXXII and ZnXXIV respectively. Tables 7, 9, 11 and 13. Excitation energy E (in cm-1) and composition of atomic state function in LSJ-coupling FeXX, CrXVIII, NiXXII and ZnXXIV respectively. Tables 18 - 21. Excitation energy E (in cm-1) and lifetimes in s for FeXX, CrXVIII, NiXXII and ZnXXIV respectively in length ({tau}_l) and velocity ({tau}_v) forms. (17 data files).

  4. Effects of Annealing on GaAs/GaAsSbN/GaAs Core-Multi-shell Nanowires.

    Science.gov (United States)

    Kasanaboina, Pavan; Sharma, Manish; Deshmukh, Prithviraj; Reynolds, C Lewis; Liu, Yang; Iyer, Shanthi

    2016-12-01

    The effects of ex-situ annealing in a N2 ambient on the properties of GaAs/GaAsSbN/GaAs core-multi-shell nanowires on Si (111) substrate grown by self-catalyzed molecular beam epitaxy (MBE) are reported. As-grown nanowires exhibit band edge emission at ~0.99 eV with a shoulder peak at ~0.85 eV, identified to arise from band tail states. A large red shift of 7 cm(-1) and broadened Raman spectra of as-grown nanowires compared to that of non-nitride nanowires confirmed phonon localization at N-induced localized defects. On annealing nanowires to 750 °C, there was no change in the planar defects in the nanowire with respect to the as-grown nanowire; however, vanishing of the photoluminescence (PL) peak corresponding to band tail states along with enhanced band edge PL intensity, recovery of the Raman shift and increase in the Schottky barrier height from 0.1 to 0.4 eV clearly point to the efficient annihilation of point defects in these GaAsSbN nanowires. A significant reduction in the temperature-induced energy shift in the annealed nanowires is attributed to annihilation of band tail states and weak temperature dependence of N-related localized states. The observation of room temperature PL signal in the 1.3 μm region shows that the strategy of adding small amounts of N to GaAsSb is a promising route to realization of efficient nanoscale light emitters with reduced temperature sensitivity in the telecommunication wavelength region. PMID:26831685

  5. Effects of Annealing on GaAs/GaAsSbN/GaAs Core-Multi-shell Nanowires

    Science.gov (United States)

    Kasanaboina, Pavan; Sharma, Manish; Deshmukh, Prithviraj; Reynolds, C. Lewis; Liu, Yang; Iyer, Shanthi

    2016-02-01

    The effects of ex-situ annealing in a N2 ambient on the properties of GaAs/GaAsSbN/GaAs core-multi-shell nanowires on Si (111) substrate grown by self-catalyzed molecular beam epitaxy (MBE) are reported. As-grown nanowires exhibit band edge emission at ~0.99 eV with a shoulder peak at ~0.85 eV, identified to arise from band tail states. A large red shift of 7 cm-1 and broadened Raman spectra of as-grown nanowires compared to that of non-nitride nanowires confirmed phonon localization at N-induced localized defects. On annealing nanowires to 750 °C, there was no change in the planar defects in the nanowire with respect to the as-grown nanowire; however, vanishing of the photoluminescence (PL) peak corresponding to band tail states along with enhanced band edge PL intensity, recovery of the Raman shift and increase in the Schottky barrier height from 0.1 to 0.4 eV clearly point to the efficient annihilation of point defects in these GaAsSbN nanowires. A significant reduction in the temperature-induced energy shift in the annealed nanowires is attributed to annihilation of band tail states and weak temperature dependence of N-related localized states. The observation of room temperature PL signal in the 1.3 μm region shows that the strategy of adding small amounts of N to GaAsSb is a promising route to realization of efficient nanoscale light emitters with reduced temperature sensitivity in the telecommunication wavelength region.

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

    CERN Document Server

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

    2014-01-01

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

  7. Sensitivity of {\\Lambda} single-particle energies to the {\\Lambda}N spin-orbit coupling and to nuclear core structure in p-shell and sd-shell hypernuclei

    CERN Document Server

    Veselý, P; Hrtánková, J; Mareš, J

    2016-01-01

    We introduce a mean field model based on realistic 2-body baryon interactions and calculate spectra of a set of p-shell and sd-shell {\\Lambda} hypernuclei - 13{\\Lambda}C, 17{\\Lambda}O, 21{\\Lambda}Ne, 29{\\Lambda}Si and 41{\\Lambda}Ca. The hypernuclear spectra are compared with the results of a relativistic mean field (RMF) model and available experimental data. The sensitivity of {\\Lambda} single-particle energies to the nuclear core structure is explored. Special attention is paid to the effect of spin-orbit {\\Lambda}N interaction on the energy splitting of the {\\Lambda} single particle levels 0p3/2 and 0p1/2. In particular, we analyze the contribution of the symmetric (SLS) and the anti-symmetric (ALS) spin-orbit terms to the energy splitting. We give qualitative predictions for the calculated hypernuclei.

  8. Fusability and survivability in reactions leading to heavy nuclei in the vicinity of the N = 126 shell

    International Nuclear Information System (INIS)

    The production of heavy nuclei from Rn to Th around the N = 126 neutron shell in complete fusion reactions of nuclei has been considered in a systematic way in the framework of the conventional barrier-passing fusion model coupled with the Standard Statistical Model (SSM). Available data on the excitation functions for fusion and production of evaporation residues obtained in very asymmetric combinations are described with these models rather well. In the interaction of massive projectiles with heavy target nuclei quasi-fission effects appear in the entrance reaction channel. The quantity of the fusion probability introduced empirically has been used to reproduce excitation functions with the same SSM parameters (fission barriers) as those obtained in the analysis of very asymmetric combinations. A lack of stabilization against fission around N = 126 for Th nuclei was earlier explained with a reduced collective contribution to the level density in spherical nuclei. However, the present analysis shows severe inhibition for fusion, i.e., the drop in production cross sections of Th nuclei in the vicinity of N = 126 is mainly caused by entrance channel effects. The macroscopic component of fission barriers for nuclei involved in a deexcitation cascade has been derived and compared with the theoretical model predictions and available data

  9. Quenching of N = 28 shell gap and a novel type of low-lying quadrupole mode in the vicinity of neutron-rich N = 28 isotones

    CERN Document Server

    Ebata, Shuichiro

    2014-01-01

    We discuss the low-lying 2$^+$ states of $N=28$ isotones ($^{48}$Ca, $^{46}$Ar, $^{44}$S and $^{42}$Si) based on the canonical-basis time-dependent Hartree-Fock-Bogoliubov theory in which the pairing is taken into account. The quadrupole mode with very small excitation energies which emerges in $^{46}$Ar, $^{44}$S and $^{42}$Si due to the strong quadrupole correlations triggered by the quenching of the $N=28$ shell gap. The importance of the quadrupole correlations between the protons and neutrons, and the role of the pairing correlation to reinforce the lowest 2$^+$ mode are discussed. It is also shown that the observed 2$^+$ energies and B($E2$) are plausibly explained by our calculations.

  10. Facile fabrication of FeN nanoparticles/nitrogen-doped graphene core-shell hybrid and its use as a platform for NADH detection in human blood serum.

    Science.gov (United States)

    Balamurugan, Jayaraman; Thanh, Tran Duy; Kim, Nam Hoon; Lee, Joong Hee

    2016-09-15

    Herein, we present a novel strategy for the synthesis of an iron nitride nanoparticles-encapsulated nitrogen-doped graphene (FeN NPs/NG) core-shell hierarchical nanostructure to boost the electrochemical performance in a highly sensitive, selective, reproducible, and stable sensing platform for nicotinamide adenine dinucleotide (NADH). This core-shell hierarchical nanostructure provides an excellent conductive network for effective charge transfer and avoids the agglomeration and restacking of NG sheets, which provides better access to the electrode material for NADH oxidation. The FeN NPs/NG core-shell hierarchical nanostructure demonstrates direct and mediatorless responses to NADH oxidation at a low potential. This material displays a high sensitivity of 0.028μA/μMcm(2), a wide linear range from 0.4 to 718μM, and a detection limit of 25nM with a fast response time of less than 3s. The interferences from common interferents, such as glucose, uric acid, dopamine, and ascorbic acid, are negligible. The fabricated sensor was further tested for the determination of NADH in human blood serum. The resulting high sensitivity, excellent selectivity, outstanding stability, and good reproducibility make the proposed FeN NPs/NG core-shell hierarchical nanostructure as a promising candidate for biomedical applications. PMID:27104586

  11. State-mixing of nS Rydberg atoms in an external electric field

    International Nuclear Information System (INIS)

    State-mixing effect of ultracold nS cesium Rydberg atoms in an external electric field is investigated in a magneto-optical trap. Populated high-l Rydberg atoms due to the state-mixing through avoided crossings are measured with a state-selective field ionization technique. The measured transfer rates of high-l states increase with the electric field and get to the maximum at the field of about 3.0 V/cm for 49S1/2 Rydberg state, and show decrease behavior when the electric field increases further. The decrease behavior of the transfer rate is explained with the slower m-mixing effect caused by decreasing dipole–dipole interactions between high-l Rydberg atoms. During the m-mixing process the ultracold plasma is formed by the Penning ionization. (author)

  12. Uniform GaN thin films grown on (100) silicon by remote plasma atomic layer deposition.

    Science.gov (United States)

    Shih, Huan-Yu; Lin, Ming-Chih; Chen, Liang-Yih; Chen, Miin-Jang

    2015-01-01

    The growth of uniform gallium nitride (GaN) thin films was reported on (100) Si substrate by remote plasma atomic layer deposition (RP-ALD) using triethylgallium (TEG) and NH3 as the precursors. The self-limiting growth of GaN was manifested by the saturation of the deposition rate with the doses of TEG and NH3. The increase in the growth temperature leads to the rise of nitrogen content and improved crystallinity of GaN thin films, from amorphous at a low deposition temperature of 200 °C to polycrystalline hexagonal structures at a high growth temperature of 500 °C. No melting-back etching was observed at the GaN/Si interface. The excellent uniformity and almost atomic flat surface of the GaN thin films also infer the surface control mode of the GaN thin films grown by the RP-ALD technique. The GaN thin films grown by RP-ALD will be further applied in the light-emitting diodes and high electron mobility transistors on (100) Si substrate. PMID:25494474

  13. Uniform GaN thin films grown on (100) silicon by remote plasma atomic layer deposition

    International Nuclear Information System (INIS)

    The growth of uniform gallium nitride (GaN) thin films was reported on (100) Si substrate by remote plasma atomic layer deposition (RP-ALD) using triethylgallium (TEG) and NH3 as the precursors. The self-limiting growth of GaN was manifested by the saturation of the deposition rate with the doses of TEG and NH3. The increase in the growth temperature leads to the rise of nitrogen content and improved crystallinity of GaN thin films, from amorphous at a low deposition temperature of 200 °C to polycrystalline hexagonal structures at a high growth temperature of 500 °C. No melting-back etching was observed at the GaN/Si interface. The excellent uniformity and almost atomic flat surface of the GaN thin films also infer the surface control mode of the GaN thin films grown by the RP-ALD technique. The GaN thin films grown by RP-ALD will be further applied in the light-emitting diodes and high electron mobility transistors on (100) Si substrate. (paper)

  14. CP(N - 1) quantum field theories with alkaline-earth atoms in optical lattices

    Science.gov (United States)

    Laflamme, C.; Evans, W.; Dalmonte, M.; Gerber, U.; Mejía-Díaz, H.; Bietenholz, W.; Wiese, U.-J.; Zoller, P.

    2016-07-01

    We propose a cold atom implementation to attain the continuum limit of (1 + 1) -d CP(N - 1) quantum field theories. These theories share important features with (3 + 1) -d QCD, such as asymptotic freedom and θ-vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N - 1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic preparation of the ground state of the system, the real-time evolution of a false θ-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  15. CP(N-1) Quantum Field Theories with Alkaline-Earth Atoms in Optical Lattices

    CERN Document Server

    Laflamme, C; Dalmonte, M; Gerber, U; Mejía-Díaz, H; Bietenholz, W; Wiese, U -J; Zoller, P

    2015-01-01

    We propose a cold atom implementation to attain the continuum limit of (1+1)-d CP(N-1) quantum field theories. These theories share important features with (3+1)-d QCD, such as asymptotic freedom and $\\theta$ vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N-1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic state preparation of the ground state of the system, the real-time evolution of a false $\\theta$-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  16. Preparation of state purified beams of He, Ne, C, N, and O atoms

    Science.gov (United States)

    Jankunas, Justin; Reisyan, Kevin S.; Osterwalder, Andreas

    2015-03-01

    The production and guiding of ground state and metastable C, N, and O atoms in a two-meter-long, bent magnetic guide are described. Pure beams of metastable He(3S1) and Ne(3P2), and of ground state N(4S3/2) and O(3P2) are obtained using an Even-Lavie valve paired with a dielectric barrier discharge or electron bombardment source. Under these conditions no electronically excited C, N, or O atoms are observed at the exit of the guide. A general valve with electron impact excitation creates, in addition to ground state atoms, electronically excited C(3P2; 1D2) and N(2D5/2; 2P3/2) species. The two experimental conditions are complimentary, demonstrating the usefulness of a magnetic guide in crossed or merged beam experiments such as those described in Henson et al. [Science 338, 234 (2012)] and Jankunas et al. [J. Chem. Phys. 140, 244302 (2014)].

  17. Preparation of state purified beams of He, Ne, C, N, and O atoms

    Energy Technology Data Exchange (ETDEWEB)

    Jankunas, Justin; Reisyan, Kevin S.; Osterwalder, Andreas, E-mail: andreas.osterwalder@epfl.ch [Institute for Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne (Switzerland)

    2015-03-14

    The production and guiding of ground state and metastable C, N, and O atoms in a two-meter-long, bent magnetic guide are described. Pure beams of metastable He({sup 3}S{sub 1}) and Ne({sup 3}P{sub 2}), and of ground state N({sup 4}S{sub 3/2}) and O({sup 3}P{sub 2}) are obtained using an Even-Lavie valve paired with a dielectric barrier discharge or electron bombardment source. Under these conditions no electronically excited C, N, or O atoms are observed at the exit of the guide. A general valve with electron impact excitation creates, in addition to ground state atoms, electronically excited C({sup 3}P{sub 2}; {sup 1}D{sub 2}) and N({sup 2}D{sub 5/2}; {sup 2}P{sub 3/2}) species. The two experimental conditions are complimentary, demonstrating the usefulness of a magnetic guide in crossed or merged beam experiments such as those described in Henson et al. [Science 338, 234 (2012)] and Jankunas et al. [J. Chem. Phys. 140, 244302 (2014)].

  18. Supramolecular gel-assisted synthesis of double shelled Co@CoO@N-C/C nanoparticles with synergistic electrocatalytic activity for the oxygen reduction reaction

    Science.gov (United States)

    Wu, Zexing; Wang, Jie; Han, Lili; Lin, Ruoqian; Liu, Hongfang; Xin, Huolin L.; Wang, Deli

    2016-02-01

    Investigating active, stable, and low-cost materials for the oxygen reduction reaction is one of the key challenges in fuel-cell research. In this work, we describe the formation of N-doped carbon shell coated Co@CoO nanoparticles supported on Vulcan XC-72 carbon materials (Co@CoO@N-C/C) based on a simple supramolecular gel-assisted method. The double-shelled Co@CoO@N-C/C core-shell nanoparticles exhibit superior electrocatalytic activities for the oxygen reduction reaction compared to N-doped carbon and cobalt oxides, demonstrating the synergistic effect of the hybrid nanomaterials. Notably, the Co@CoO@N-C/C nanoparticles give rise to a comparable four-electron selectivity, long-term stability, and high methanol tolerance; all show a multi-fold improvement over the commercial Pt/C catalyst. The progress is of great importance in exploring advanced non-precious metal-based electrocatalysts for fuel cell applications.Investigating active, stable, and low-cost materials for the oxygen reduction reaction is one of the key challenges in fuel-cell research. In this work, we describe the formation of N-doped carbon shell coated Co@CoO nanoparticles supported on Vulcan XC-72 carbon materials (Co@CoO@N-C/C) based on a simple supramolecular gel-assisted method. The double-shelled Co@CoO@N-C/C core-shell nanoparticles exhibit superior electrocatalytic activities for the oxygen reduction reaction compared to N-doped carbon and cobalt oxides, demonstrating the synergistic effect of the hybrid nanomaterials. Notably, the Co@CoO@N-C/C nanoparticles give rise to a comparable four-electron selectivity, long-term stability, and high methanol tolerance; all show a multi-fold improvement over the commercial Pt/C catalyst. The progress is of great importance in exploring advanced non-precious metal-based electrocatalysts for fuel cell applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07929b

  19. A Detailed Investigation of First and Second Order Supersymmetries for Off-Shell N = 2 and N = 4 Supermultiplets

    CERN Document Server

    Gates, S James; Parker, James; Rodgers, Vincent G J; Rodriguez, Leo; Stiffler, Kory

    2011-01-01

    This paper investigates the d = 4, N = 4 Abelian, global Super-Yang Mills system (SUSY-YM). It is shown how the N = 2 Fayet Hypermultiplet (FH) and N = 2 vector multiplet (VM) are embedded within. The central charges provide a plethora of information as to further symmetries of the Lagrangian. Several of these symmetries are calculated to second order. It is hoped that investigations such as these may yield avenues to help solve the auxiliary field closure problem for d = 4, N = 4, SUSY-YM and the d = 4, N = 2 Fayet-Hypermultiplet, without using an infinite number of auxiliary fields.

  20. An Extended Detailed Investigation of First and Second Order Supersymmetries for Off-Shell N = 2 and N = 4 Supermultiplets

    Directory of Open Access Journals (Sweden)

    Sylvester James Gates

    2015-06-01

    Full Text Available This paper investigates the d = 4, N = 4 Abelian, global Super-Yang Mills system (SUSY-YM. It is shown how the N = 2 Fayet Hypermultiplet (FH and N = 2 vector multiplet (VM are embedded within. The central charges and internal symmetries provide a plethora of information as to further symmetries of the Lagrangian. Several of these symmetries are calculated to second order. It is hoped that investigations such as these may yield avenues to help solve the auxiliary field closure problem for d = 4, N = 4, SUSY-YM and the d = 4, N = 2 Fayet-Hypermultiplet, without using an infinite number of auxiliary fields.

  1. Study of shell closures N=40 and N=50 in neutron-rich nuclei; Etude des fermetures de couches N=40 et N=50 dans les noyaux riches en neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Perru, O

    2004-12-01

    For this thesis I have studied 2 neutron shell closures: N=40 and N=50. On N=50, an experiment was done in February 2001 on the ISOL line PARRNe, the issue was to measure the first excited states of {sup 83}Ge (Z=32, N=51) by studying the beta decay of {sup 83}Ga produced by fission of {sup 238}U.The extreme precision of the experimental device, with the operation of hot plasma ion sources made it possible to reach spectroscopic information of the Ge isotopes beyond the magic gap N=50. Two transitions have been attributed to {sup 83}Ge: at 867 keV and at 1238 keV. The level scheme of {sup 83}Ge could be interpreted in terms of weak coupling: the excited states of this nucleus are due to the couplings between the single neutron beyond N=50 and the remaining nucleons.On N=40, we wanted to determine the transition probability between ground state and first excited state, called B(E2), in {sup 70}Ni (N=42) and {sup 74}Zn (N=44) from Coulomb excitation. These exotic nuclei are produced by fragmentation of a primary beam of {sup 76}Ge on a target of {sup 58}Ni, selected by the spectrometer LISE, then interact with a secondary {sup 208}Pb target to induce the Coulomb excitation. At the end of this analysis, the following values have been obtained: B(E2,{sup 70}Ni)=860(170) e{sup 2}fm{sup 4}, B(E2,{sup 74}Zn)=1960(140) e{sup 2}fm{sup 4}. These values have been compared on the one hand to variational calculations which I have realised, on the other hand to published shell model calculations.These calculations point out the complex aspect of the Ni nuclei, which do not seem to have a typical behaviour of semi magic nuclei although they are located on a closed shell in protons (Z=28). (author)

  2. All-atom Molecular Dynamic Simulations and NMR Spectra Study on Intermolecular Interactions of N,N-dimethylacetamide-Water System

    Institute of Scientific and Technical Information of China (English)

    Rong Zhang; Zai-you Tan; San-lai Luo

    2008-01-01

    N,N-dimethylacetamide (DMA) has been investigated extensively in studying models of peptide bonds. An all-atom MD simulation and the NMR spectra were performed to investigate the interactions in the DMA- water system. The radial distribution functions (RDFs) and the hydrogen-bonding network were used in MD simulations. There are strong hydrogen bonds and weak C-H…O contacts in the mixtures, as shown by the analysis of the RDFs. The insight structures in the DMA-water mixtures can be classified into different regions by the analysis of the hydrogen-bonding network. Chemical shifts of the hydrogen atom of water molecule with concentration and temperatures are adopted to study the interactions in the mixtures. The results of NMR spectra show good agreement with the statistical results of hydrogen bonds in MD simulations.

  3. Micro/nanoencapsulated n-nonadecane with poly(methyl methacrylate) shell for thermal energy storage

    International Nuclear Information System (INIS)

    Graphical abstract: This paper was aimed to prepare, characterize and determinate of thermal energy storage properties of PMMA/C19 micro/nanocapsules as a novel encapsulated phase change material (M/N-EPCM). The chemical structure of the prepared M/N-EPCM was verified using FTIR spectroscopy method. The analysis results obtained from POM and SEM indicated that the synthesized capsules had virtually spherical-shape. The PSD analysis indicated that the M/N-EPCM capsules had mean diameter of 8.18 μm and the percentage of the capsules with nanosize was 4.90 (v/v). The DSC results showed that the synthesized M/N-PCM had a melting temperature and total latent heat value as 31.23 °C and 139.20 J/g, respectively. It can be also deduced from all results that the synthesized M/N-EPCM had promising thermal energy storage potential due to its good latent heat thermal energy storage properties, thermal durability, thermal reliability, chemical stability, thermal conductivity and phase change reversibility properties. - Highlights: • The chemical structure of the prepared M/N-EPCM was verified using FTIR spectroscopy method. • POM and SEM results indicated that the M/N-EPCM had virtually spherical shape-appearance. • The M/N-EPCM had mean diameter of 8.18 μm and the percentage of the capsules with nanosize was 4.90 (v/v). • The M/N-PCM had a melting temperature and total latent heat value as 31.23 °C and 139.20 J/g, respectively. • The M/N-EPCM had promising thermal energy storage potential. - Abstract: This paper was aimed to prepare, characterize and determine the thermal energy storage properties of poly(methyl methacrylate) (PMMA)/n-nonadecane (C19) capsules as a novel micro/nanoencapsulated phase change material (M/N-EPCM). The M/N-EPCM was fabricated via emulsion polymerization reaction of methylmethacrylate (MMA) monomer occurred around C19 used as core material. The chemical structure of the prepared M/N-EPCM was verified using Fourier transform infrared

  4. SYNTHESIS AND CHARACTERIZATION OF Si3N4@Al(OH)3–Y(OH)3 CORE-SHELL COMPOSITE PARTIC3LES

    OpenAIRE

    JIE-GUANG SONG; GANG-CHANG JI; SHI-BIN LI; LIAN-MENG ZHANG

    2008-01-01

    Silicon nitride (Si3N4) has attracted substantial interest because of its extreme chemical and physical properties, but the sintering densification of Si3N4 is difficult, and it is easily oxidized in the high-temperature air to impact high-temperature strength, which restricts its applied range. In order to decrease the oxidization and improve the strength of Si3N4 at high temperature, the surface of Si3N4 is coated with Al(OH)3 and Y(OH)3 to synthesis Si3N4@Al(OH)3–Y(OH)3 core-shell composit...

  5. Epitaxial growth of AlN films via plasma-assisted atomic layer epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Nepal, N.; Qadri, S. B.; Hite, J. K.; Mahadik, N. A.; Mastro, M. A.; Eddy, C. R. Jr. [U.S. Naval Research Laboratory, Washington, DC 20375 (United States)

    2013-08-19

    Thin AlN layers were grown at 200–650 °C by plasma assisted atomic layer epitaxy (PA-ALE) simultaneously on Si(111), sapphire (1120), and GaN/sapphire substrates. The AlN growth on Si(111) is self-limited for trimethyaluminum (TMA) pulse of length > 0.04 s, using a 10 s purge. However, the AlN nucleation on GaN/sapphire is non-uniform and has a bimodal island size distribution for TMA pulse of ≤0.03 s. The growth rate (GR) remains almost constant for T{sub g} between 300 and 400 °C indicating ALE mode at those temperatures. The GR is increased by 20% at T{sub g} = 500 °C. Spectroscopic ellipsometry (SE) measurement shows that the ALE AlN layers grown at T{sub g} ≤ 400 °C have no clear band edge related features, however, the theoretically estimated band gap of 6.2 eV was measured for AlN grown at T{sub g} ≥ 500 °C. X-ray diffraction measurements on 37 nm thick AlN films grown at optimized growth conditions (T{sub g} = 500 °C, 10 s purge, 0.06 s TMA pulse) reveal that the ALE AlN on GaN/sapphire is (0002) oriented with rocking curve full width at the half maximum (FWHM) of 670 arc sec. Epitaxial growth of crystalline AlN layers by PA-ALE at low temperatures broadens application of the material in the technologies that require large area conformal growth at low temperatures with thickness control at the atomic scale.

  6. Shell-model calculations for the A ''approximately'' 100 region: application to the even-Z N = 52 isotones 92Zr-100Cd

    International Nuclear Information System (INIS)

    Shell-model calculations for the Z = 38-50, N > 50 region are initiated by the selection of a schematic Hamiltonian and effective electromagnetic operators. An application to the Z-even N = 52 isotones gives a good description for energies of both low-spin and yrast high-spin levels, and for E2 and M1 transition strengths and moments where these have been measured over the entire range of Z. (Author)

  7. Shape coexistence and the N=20 shell closure far from stability by inelastic scattering

    International Nuclear Information System (INIS)

    Following mass measurements in the region N=20 and N=28, we have studied inelastic nuclear scattering for the nuclei 34Si, 33Al and 32Mg. No evidence for a low-lying shape isomeric 0+ state was found in 34Si, and an upper limit for the population cross-section could be established, rendering its existence very unlikely. A new transition was found in 33Al, that is a good candidate for a 2p-2h state and therefore a determination of the 2p-2h gap at N=20. Inelastic nuclear scattering strongly excites 3- states, as seen in 34Si. A strong transition was found in 32Mg that should correspond to the first 3- in this nucleus, lying very low as compared to theory and systematics in this region. (orig.)

  8. Study of the stability of the gallium isotopes beyond the N = 50 neutron shell closure

    CERN Multimedia

    We propose to study the stability of the nuclear structure beyond N = 50 and Z = 28 with beams of neutron-rich gallium isotopes at the CRIS experiment at ISOLDE. The study of their hyperne structure and isotope shift will provide spins, magnetic dipole moments, electric quadrupole moments and changes in the mean-square charge radii. The $\\beta$-decay of $^{80}$Ga will be unambiguously measured using the technique of Laser Assisted Nuclear Decay Spectroscopy (LANDS). The half-lives of the very neutron-rich isotopes with N > 54 will be measured for their impact on the astrophysical ${r}$-process.

  9. Calculations of electron screening in muonic atoms

    International Nuclear Information System (INIS)

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

  10. Cadmium mass measurements between the neutron shell closures at N = 50 and 82

    International Nuclear Information System (INIS)

    The mass values of the neutron-deficient cadmium isotopes 99-109Cd and of the neutron-rich isotopes 114,120,122-124,126,128Cd have been measured using ISOLTRAP. The behavior of the separation energies of the cadmium isotopes from N = 50 to 82 is discussed.

  11. Direct mass measurements of Cd isotopes show strong shell gap at N=82

    CERN Document Server

    Knöbel, R; Bosch, F; Boutin, D; Chen, L; Dimopoulou, C; Dolinskii, A; Franczak, B; Franzke, B; Geissel, H; Hausmann, M; Kozhuharov, C; Kurcewicz, J; Litvinova, S A; Martínez-Pinedo, G; Matoš, M; Mazzocco, M; Münzenberg, G; Nakajima, S; Nociforo, C; Nolden, F; Ohtsubo, T; Ozawa, A; Patyk, Z; Plaß, W R; Scheidenberger, C; Stadlmann, J; Steck, M; Sun, B; Suzuki, T; Walker, P; Weick, H; Wu, M -R; Winkler, M; Yamaguchi, T

    2015-01-01

    A $^{238}$U projectile beam was used to create cadmium isotopes via abrasion-fission at 410 MeV/u in a beryllium target at the entrance of the in-flight separator FRS at GSI. The fission fragments were separated with the FRS and injected into the isochronous storage ring ESR for mass measurements. The Isochronous Mass Spectrometry (IMS) was performed under two different experimental conditions, with and without B$\\rho$-tagging at the dispersive central focal plane of the FRS. In the experiment with B$\\rho$-tagging the magnetic rigidity of the injected fragments was determined by an accuracy of $2\\times 10^{-4}$. A new method of data analysis, using a correlation matrix for the combined data set from both experiments, has provided mass values for 25 different isotopes for the first time. The high selectivity and sensitivity of the experiment and analysis has given access even to rare isotopes detected with a few atoms per week. In this letter we present for the $^{129,130,131}$Cd isotopes mass values directly ...

  12. Facile fabrication of novel SiO2/g-C3N4 core-shell nanosphere photocatalysts with enhanced visible light activity

    Science.gov (United States)

    Lin, Bo; Xue, Chao; Yan, Xiaoqing; Yang, Guidong; Yang, Guang; Yang, Bolun

    2015-12-01

    Novel SiO2/g-C3N4 core-shell nanospheres were simply synthesized using heating method to anneal the mixture of silica dioxide nanospheres and molten cyanamide (CA) in nitrogen atmosphere. The effects of various initial mass ratios of SiO2 nanospheres and CA molecules on the catalyst structure, surface property and catalytic activity have been systematically investigated. The characterization results show that the as-obtained photocatalysts possess the ordered core-shell nanostructure, large mesoporous distribution and inflated BET specific surface areas. The photocatalytic activities of the SiO2/g-C3N4 composites were evaluated by decomposing the rhodamine B (RhB) dye under visible light irradiation. Compared with pure g-C3N4, all of the SiO2/g-C3N4 core-shell composites showed the improved photoactivity, and the optimal SiO2/g-C3N4 catalyst (SC-3) showed the highest activity with an RhB conversion of 94.3% after 150 min visible light irradiation, which is 3.5 times higher than that of pure g-C3N4. Meanwhile, the recycling test showed that the SC-3 sample owns outstanding stability and durability. The enhancement in both activity and stability can be assigned to the specific core-shell structure, inflated surface area, higher visible light adsorption and efficient charge separation originating from the closely contacted interfaces between SiO2 nanospheres and g-C3N4.

  13. Nonclassical Properties for Two Coupled N-Two-Level Atom and a Single Two-Level Atom Under an External Magnetic Field

    Science.gov (United States)

    Abdalla, M. Sebawe; A. Ahmed, M. M.; Rabea, R. N.

    2016-06-01

    We study the interaction between a single two-level atom and N two-level atoms under the effect of a uniform magnetic field. The exact solution is obtained and the expectation value of the time-dependent quantum operators calculated using the Block state (the generalized coherent state). We discuss numerically the atomic inversion where the phenomenon of collapse and revival is observed. The change in the value of the atomic angle plays a role in variance squeezing, where it is pronounced for 𝜃 = π/3. Entropy squeezing is discussed and occurred in the first quadrature. The degree of entanglement through linear entropy is examined where the system shows partial entanglement and at a certain value of parameters displays nearly maximum entanglement.

  14. Core-shell InGaN/GaN nanowire light emitting diodes analyzed by electron beam induced current microscopy and cathodoluminescence mapping

    Science.gov (United States)

    Tchernycheva, M.; Neplokh, V.; Zhang, H.; Lavenus, P.; Rigutti, L.; Bayle, F.; Julien, F. H.; Babichev, A.; Jacopin, G.; Largeau, L.; Ciechonski, R.; Vescovi, G.; Kryliouk, O.

    2015-07-01

    We report on the electron beam induced current (EBIC) microscopy and cathodoluminescence (CL) characterization correlated with compositional analysis of light emitting diodes based on core/shell InGaN/GaN nanowire arrays. The EBIC mapping of cleaved fully operational devices allows to probe the electrical properties of the active region with a nanoscale resolution. In particular, the electrical activity of the p-n junction on the m-planes and on the semi-polar planes of individual nanowires is assessed in top view and cross-sectional geometries. The EBIC maps combined with CL characterization demonstrate the impact of the compositional gradients along the wire axis on the electrical and optical signals: the reduction of the EBIC signal toward the nanowire top is accompanied by an increase of the CL intensity. This effect is interpreted as a consequence of the In and Al gradients in the quantum well and in the electron blocking layer, which influence the carrier extraction efficiency. The interface between the nanowire core and the radially grown layer is shown to produce in some cases a transitory EBIC signal. This observation is explained by the presence of charged traps at this interface, which can be saturated by electron irradiation.We report on the electron beam induced current (EBIC) microscopy and cathodoluminescence (CL) characterization correlated with compositional analysis of light emitting diodes based on core/shell InGaN/GaN nanowire arrays. The EBIC mapping of cleaved fully operational devices allows to probe the electrical properties of the active region with a nanoscale resolution. In particular, the electrical activity of the p-n junction on the m-planes and on the semi-polar planes of individual nanowires is assessed in top view and cross-sectional geometries. The EBIC maps combined with CL characterization demonstrate the impact of the compositional gradients along the wire axis on the electrical and optical signals: the reduction of the EBIC

  15. Measurement of quantum defects of nS and nD states using field ionization spectroscopy in ultracold cesium atoms

    Institute of Scientific and Technical Information of China (English)

    Zhang Lin-Jie; Feng Zhi-Gang; Li An-Ling; Zhao Jian-Ming; Li Chang-Yong; Jia Suo-Tang

    2009-01-01

    This paper reports that ultracold atoms are populated into different nS and nD Rydberg states (n=25~52) by two-photon excitation. The ionization spectrum of an ultracold Rydberg atom is acquired in a cesium magneto-optical trap by using the method of pulse field ionization. This denotes nS and nD states in the ionization spectrum and fits the data of energy levels of different Rydberg states to obtain quantum defects of nS and nD states.

  16. Core-shell nano-FeS2@N-doped graphene as an advanced cathode material for rechargeable Li-ion batteries.

    Science.gov (United States)

    Tan, Rui; Yang, Jinlong; Hu, Jiangtao; Wang, Kai; Zhao, Yan; Pan, Feng

    2016-01-18

    We report the formation of core-shell nano-FeS2@N-doped graphene as a novel cathode material and its mechanism for use in rechargeable Li-ion batteries. A benefit of the amount of FeS2 nano-crystals as the core for Li-ion storage with high capacity and using coated N-doped graphene as the shell is that FeS2@N-graphene exhibits a remarkable specific energy (950 W h kg(-1) at 0.15 kW g(-1)) and higher specific power (543 W h kg(-1) at 2.79 kW g(-1)) than commercial rechargeable LIB cathodes, as well as stable cycling performance (∼600 W h kg(-1) at 0.75 kW g(-1) after 400 cycles). PMID:26592428

  17. Beta-decay of nuclei around Se-90. Search for signatures of a N=56 sub-shell closure relevant the r-process

    CERN Document Server

    Quinn, M; Pereira, J; Surman, R; Arndt, O; Baumann, T; Becerril, A; Elliot, T; Estrade, A; Galaviz, D; Ginter, T; Hausmann, M; Hennrich, S; Kessler, R; Kratz, K -L; Lorusso, G; Mantica, P F; Matos, M; Moller, P; Montes, F; Pfeiffer, B; Portillo, M; Hennrich, S; Schatz, H; Schertz, F; Schnorrenberger, L; Smith, E; Stolz, A; Walters, W B; Wohr, A

    2011-01-01

    Nuclear structure plays a significant role on the rapid neutron capture process (r-process) since shapes evolve with the emergence of shells and sub-shells. There was some indication in neighboring nuclei that we might find examples of a new N=56 sub-shell, which may give rise to a doubly magic Se-90 nucleus. Beta-decay half lives of nuclei around Se-90 have been measured to determine if this nucleus has in fact a doubly-magic character. The fragmentation of Xe-136 beam at the National Superconducting Cyclotron Laboratory at Michigan State University was used to create a cocktail of nuclei in the A=90 region. We have measured the half lives of twenty-two nuclei near the r-process path in the A=90 region. The half lives of As-88 and Se-90 have been measured for the first time. The values were compared with theoretical predictions in the search for nuclear-deformation signatures of a N=56 sub-shell, and its possible role in the emergence of a potential doubly-magic Se-90. The impact of such hypothesis on the sy...

  18. Electron Stark Broadening Database for Atomic N, O, and C Lines

    Science.gov (United States)

    Liu, Yen; Yao, Winifred M.; Wray, Alan A.; Carbon, Duane F.

    2012-01-01

    A database for efficiently computing the electron Stark broadening line widths for atomic N, O, and C lines is constructed. The line width is expressed in terms of the electron number density and electronatom scattering cross sections based on the Baranger impact theory. The state-to-state cross sections are computed using the semiclassical approximation, in which the atom is treated quantum mechanically whereas the motion of the free electron follows a classical trajectory. These state-to-state cross sections are calculated based on newly compiled line lists. Each atomic line list consists of a careful merger of NIST, Vanderbilt, and TOPbase line datasets from wavelength 50 nm to 50 micrometers covering the VUV to IR spectral regions. There are over 10,000 lines in each atomic line list. The widths for each line are computed at 13 electron temperatures between 1,000 K 50,000 K. A linear least squares method using a four-term fractional power series is then employed to obtain an analytical fit for each line-width variation as a function of the electron temperature. The maximum L2 error of the analytic fits for all lines in our line lists is about 5%.

  19. Atomic force microscopy studies of homoepitaxial GaN layers grown on GaN template by laser MBE

    Science.gov (United States)

    Choudhary, B. S.; Singh, A.; Tanwar, S.; Tyagi, P. K.; Kumar, M. Senthil; Kushvaha, S. S.

    2016-04-01

    We have grown homoepitaxial GaN films on metal organic chemical vapor deposition (MOCVD) grown 3.5 µm thick GaN on sapphire (0001) substrate (GaN template) using an ultra-high vacuum (UHV) laser assisted molecular beam epitaxy (LMBE) system. The GaN films were grown by laser ablating a polycrystalline solid GaN target in the presence of active r.f. nitrogen plasma. The influence of laser repetition rates (10-30 Hz) on the surface morphology of homoepitaxial GaN layers have been studied using atomic force microscopy. It was found that GaN layer grown at 10 Hz shows a smooth surface with uniform grain size compared to the rough surface with irregular shape grains obtained at 30 Hz. The variation of surface roughness of the homoepitaxial GaN layer with and without wet chemical etching has been also studied and it was observed that the roughness of the film decreased after wet etching due to the curved structure/rough surface.

  20. Electron impact total (elastic + inelastic) cross-sections of C, N and O atoms amd their simple molecules

    International Nuclear Information System (INIS)

    Total (elastic + inelastic) cross-sections for electron scattering from C, N, O atoms and their simple molecules are studied theoretically. The e--C, N, O atomic calculations are done in the complex optical potential approach. To study the electron scattering from O2, N2, CO, NO, CN, C2 as well as CO2, N2O, NO2 and O3 targets, we have adopted an additivity rule, wherein the molecular cross-section is an incoherent sum of the cross-sections of the constituent atoms. The cross-sections of C, N and O atoms are presented at incident energies Ei = 10-1000 eV, the molecular cross-sections are presented at Ei = 100-1000 eV. The reliability of the additivity rule is discussed against the background of experimental data. (orig.)

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

    International Nuclear Information System (INIS)

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

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

    International Nuclear Information System (INIS)

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

  3. Behaviour of the very high spin states in Er isotopes near the N=82 closed shell

    International Nuclear Information System (INIS)

    Though nuclei with a neutron number N>90 in the rare earth region exhibit a rotational behaviour up to spin approximately 60(h/2π), a different trend is observed for the neutron deficient erbium isotopes. In the spin window 30(h/2π)< I<65(h/2π), the associated continuum γ spectra exhibit two bumps of constant energy (approximately 650 keV and approximately 1400 keV respectively) for these very high spin values. These results are discussed in the framework of current models. (Auth.)

  4. Solar-energy conversion and light emission in an atomic monolayer p-n diode

    Science.gov (United States)

    Pospischil, Andreas; Furchi, Marco M.; Mueller, Thomas

    2014-04-01

    The limitations of the bulk semiconductors currently used in electronic devices--rigidity, heavy weight and high costs--have recently shifted the research efforts to two-dimensional atomic crystals such as graphene and atomically thin transition-metal dichalcogenides. These materials have the potential to be produced at low cost and in large areas, while maintaining high material quality. These properties, as well as their flexibility, make two-dimensional atomic crystals attractive for applications such as solar cells or display panels. The basic building blocks of optoelectronic devices are p-n junction diodes, but they have not yet been demonstrated in a two-dimensional material. Here, we report a p-n junction diode based on an electrostatically doped tungsten diselenide (WSe2) monolayer. We present applications as a photovoltaic solar cell, a photodiode and a light-emitting diode, and obtain light-power conversion and electroluminescence efficiencies of ~0.5% and ~0.1%, respectively. Given recent advances in the large-scale production of two-dimensional crystals, we expect them to profoundly impact future developments in solar, lighting and display technologies.

  5. Photon-Mediated Interactions: A Scalable Tool to Create and Sustain Entangled States of N Atoms

    Science.gov (United States)

    Aron, Camille; Kulkarni, Manas; Türeci, Hakan E.

    2016-01-01

    We propose and study the use of photon-mediated interactions for the generation of long-range steady-state entanglement between N atoms. Through the judicious use of coherent drives and the placement of the atoms in a network of cavity QED systems, a balance between their unitary and dissipative dynamics can be precisely engineered to stabilize a long-range correlated state of qubits in the steady state. We discuss the general theory behind such a scheme and present an example of how it can be used to drive a register of N atoms to a generalized W state and how the entanglement can be sustained indefinitely. The achievable steady-state fidelities for entanglement and its scaling with the number of qubits are discussed for presently existing superconducting quantum circuits. While the protocol is primarily discussed for a superconducting circuit architecture, it is ideally realized in any cavity QED platform that permits controllable delivery of coherent electromagnetic radiation to specified locations.

  6. Electrical DNA sequencing by graphene edges functionalized with H or N atoms

    Science.gov (United States)

    Amorim, Rodrigo G.; Scheicheir, Ralph H.

    2014-03-01

    The current technology of DNA sequencing needs to be revolutionized in order to be sufficiently cost-efficient for widespread application in healthcare and genomic research. One of the most promising proposals is to use a solid-state nanodevice based on graphene due to its atomically thin edges which would readily enable single-nucleobase resolution in transverse conductance measurements. We used ab initio calculations based on Density Functional Theory combined with the non-equilibrium Green's function method to study how the capability of a graphene nanogap to electrically sense the four nucleobases (Adenine, Cytosine, Guanine and Thymine) is affected by different passivation (H or N) of the graphene edges. We will show how, for the same nucleobase, the zero bias conductance can be increased by five orders of magnitude when N atoms are chosen for functionalization over H atoms. Other aspects investigated by us concern the translational process of nucleobases through the nanogap and the corresponding spatial resolution due to diminishing transmittance as the nucleobase moves out of the gap.

  7. Design of Efficient Catalysts with Double Transition Metal Atoms on C2N Layer.

    Science.gov (United States)

    Li, Xiyu; Zhong, Wenhui; Cui, Peng; Li, Jun; Jiang, Jun

    2016-05-01

    Heterogeneous catalysis often involves molecular adsorptions to charged catalyst site and reactions triggered by catalyst charges. Here we use first-principles simulations to design oxygen reduction reaction (ORR) catalyst based on double transition metal (TM) atoms stably supported by 2D crystal C2N. It not only holds characters of low cost and high durability but also effectively accumulates surface polarization charges on TMs and later deliveries to adsorbed O2 molecule. The Co-Co, Ni-Ni, and Cu-Cu catalysts exhibit high adsorption energies and extremely low dissociation barriers for O2, as compared with their single-atom counterparts. Co-Co on C2N presents less than half the value of the reaction barrier of bulk Pt catalysts in the ORR rate-determining steps. These catalytic improvements are well explained by the dependences of charge polarization on various systems, which opens up a new strategy for optimizing TM catalytic performance with the least metal atoms on porous low-dimensional materials. PMID:27093364

  8. Kinetic analysis of interaction between N atoms and O-covered Ru(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Kai, E-mail: kangkai@caep.cn [Center of Interface Dynamics for Sustainability, China Academy of Engineering Physics, Chengdu, Sichuan 610200 (China); Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang, Sichuan 621907 (China); Kleyn, A. W. [Center of Interface Dynamics for Sustainability, China Academy of Engineering Physics, Chengdu, Sichuan 610200 (China); FOM Institute DIFFER (Dutch Institute For Fundamental Energy Research), P.O. Box 6336, 5600 HH Eindhoven (Netherlands); Gleeson, M. A. [FOM Institute DIFFER (Dutch Institute For Fundamental Energy Research), P.O. Box 6336, 5600 HH Eindhoven (Netherlands)

    2015-10-28

    Eley-Rideal (ER) reactions involving neutral atoms heavier than hydrogen reacting with adsorbed atoms of similar mass were first observed in recent molecular beam experiments by Zaharia et al. [Phys. Rev. Lett. 113, 053201 (2014)]. Through analysis of two types of measurements, they obtained different estimations for the N–O ER reaction cross section, one of which is unexpectedly high. This was qualitatively accounted for by invoking a secondary effect whereby the presence of N adatoms on the surface acted to “shield” O adatoms from prompt recombinative desorption. We apply a rate equation model that includes two ER processes involving different adsorbed species (N–O{sub ad} and N–N{sub ad}) and an N-adsorption process to the full-beam exposure subset of the experimental data in order to study the reaction kinetics. Values for the individual reaction cross sections are derived. The measured N{sub 2} response can be well described by the model, but it is insufficient to completely describe the NO response. Modeling of different exposures is used to evaluate the qualitative picture presented by Zaharia et al.

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

    International Nuclear Information System (INIS)

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

  10. General transformation of alpha cluster model wave function to jj-coupling shell model in various 4N nuclei

    OpenAIRE

    Itagaki, N.; Matsuno, H.; Suhara, T.

    2015-01-01

    The antisymmetrized quasi-cluster model (AQCM) is a method to describe a transition from the alpha-cluster wave function to the jj-coupling shell model wave function. In this model, the cluster-shell transition is characterized by only two parameters; R representing the distance between alpha clusters and Lambda describing the breaking of alpha clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with t...

  11. p-Cu2O-shell/n-TiO2-nanowire-core heterostucture photodiodes

    OpenAIRE

    Tsai, Tsung-Ying; Chang, Shoou-Jinn; Hsueh, Ting-Jen; Hsueh, Han-Ting; Weng, Wen-Yin; Hsu, Cheng-Liang; Dai, Bau-Tong

    2011-01-01

    This study reports the deposition of cuprous oxide [Cu2O] onto titanium dioxide [TiO2] nanowires [NWs] prepared on TiO2/glass templates. The average length and average diameter of these thermally oxidized and evaporated TiO2 NWs are 0.1 to 0.4 μm and 30 to 100 nm, respectively. The deposited Cu2O fills gaps between the TiO2 NWs with good step coverage to form nanoshells surrounding the TiO2 cores. The p-Cu2O/n-TiO2 NW heterostructure exhibits a rectifying behavior with a sharp turn-on at appr...

  12. Study of the N=50 major shell effect toward 78Ni at PARRNe

    International Nuclear Information System (INIS)

    The γ-ray de-excitations following the β-decay of 83Ga and the β-n decay of 84Ga have been studied. The radioactive species were produced using the PARRNe on-line mass-separator installed at the IPN Orsay Tandem accelerator. Two γ-lines were attributed to 83Ge with the aid of β-γ and γ-γ coincidences. The Z identification of the γ-lines was provided by time analysis of a build-up/decay cycle. The excited levels of 83Ge can be explained by the coupling of the single neutron state ν2d5/2 to the first 2+ excitation of the 82Ge core. (orig.)

  13. Influence of Atomic Layer Deposition Temperatures on TiO2/n-Si MOS Capacitor

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Daming [Kansas State University; Hossain, T [Kansas State University; Garces, N. Y. [Naval Research Laboratory, Washington, D.C.; Nepal, N. [Naval Research Laboratory, Washington, D.C.; Meyer III, Harry M [ORNL; Kirkham, Melanie J [ORNL; Eddy, C.R., Jr. [Naval Research Laboratory, Washington, D.C.; Edgar, J H [Kansas State University

    2013-01-01

    This paper reports on the influence of temperature on the structure, composition, and electrical properties of TiO2 thin films deposited on n-type silicon (100) by atomic layer deposition (ALD). TiO2 layers around 20nm thick, deposited at temperatures ranging from 100 to 300 C, were studied. Samples deposited at 250 C and 200 C had the most uniform coverage as determined by atomic force microscopy. The average carbon concentration throughout the oxide layer and at the TiO2/Si interface was lowest at 200 C. Metal oxide semiconductor capacitors (MOSCAPs) were fabricated, and profiled by capacitance-voltage techniques. Negligible hysteresis was observed from a capacitance-voltage plot and the capacitance in the accumulation region was constant for the sample prepared at a 200 C ALD growth temperature. The interface trap density was on the order of 1013 eV-1cm-2 regardless of the deposition temperature.

  14. Thin Film of Perovskite Oxide with Atomic Scale p-n Junctions

    Institute of Scientific and Technical Information of China (English)

    HU Bin; HUANG Ke-ke; HOU Chang-min; YUAN Hong-ming; PANG Guang-sheng; FENG Shou-hua

    2012-01-01

    Thin films of perovskite manganese oxide La0.66Ca0.29K0.05MnO3(LCKMO) on Au/ITO(ITO=indium tin oxide) substrates were prepared by off-axis radio frequency magnetron sputtering and characterized by X-ray diffraction(XRD),high-resolution transmission electron microscopy(HRTEM),and conductive atomic force microscopy (C-AFM) at room temperature.The thin films with thickness ranged from 100 nm to 300 nm basically show cubic structures with a=0.3886 nm,the same as that of the raw material used,but the structures are highly modulated.C-AFM results revealed that the atomic scale p-n junction feature of the thin films was the same as that of the single crystals.The preparation of the thin films thus further confirms the possibility of their application extending from micrometer-sized single crystals to macroscopic thin film.

  15. Atomic layer deposition of AlN for thin membranes using trimethylaluminum and H2/N2 plasma

    International Nuclear Information System (INIS)

    Highlights: • AlN films grown at 150 °C by ALD using trimethylaluminum and H2/N2-plasma. • Nearly stoichiometric AlN films (ratio Al:N = 0.938), polycrystalline by XRD/TEM. • Refractive index of n = 1.908 and low thermal conductivity of κ = 1.66 W/(m K). • Free-standing AlN membranes mechanically stable and buckling free (tensile strain). • Membrane patterning by focused ion beam etching possible. - Abstract: Aluminum nitride (AlN) thin films with thicknesses from 20 to 100 nm were deposited on silicon, amorphous silica, silicon nitride, and vitreous carbon by plasma enhanced atomic layer deposition (PE-ALD). Trimethylaluminum (TMA) and a H2/N2 plasma mixture were used as precursors. We investigated the influence of deposition temperature and plasma parameters on the growth characteristics and the film properties of AlN. Stable PE-ALD growth conditions were obtained from 150 °C to the highest tested temperature of 300 °C. The growth rate, refractive index, and thickness homogeneity on 4″ wafers were determined by spectroscopic ellipsometry. X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM) and Rutherford backscattering spectrometry (RBS) were carried out to analyze crystallinity and composition of the films. Furthermore, the thermal conductivity and the film stress were determined. The stress was sufficiently low to fabricate mechanically stable free-standing AlN membranes with lateral dimensions of up to 2.2 × 2.2 mm2. The membranes were patterned with focused ion beam etching. Thus, these AlN membranes qualify as dielectric support material for a variety of potential applications

  16. Reaction cross section measurements of neutron-rich exotic nuclei in the vicinity of closed shells N=20 and N=28

    International Nuclear Information System (INIS)

    Using the direct method, the mean energy integrated reaction cross section was investigated for a wide range of neutron-rich nuclei (N → Ar) at GANIL. Using the parametrisation of S. Kox, 19 new radii measurements (reaction cross sections) were obtained. By the isotopic, isotonic and isospin dependence, the evolution of the strong reduced radius was studied according to the excess of neutrons. New halo effect is proposed to the nuclei of Mg35 and S44. A quadratic parametrization is also proposed for the nuclear radius as a function of the isospin in the region of closed shells N=8 and N=28. In addition, we used a modified version of the Glauber model for studying the tail and matter distribution of nuclei. Indeed, using our new data the effects of the nuclear size (root mean square radii) and the matter distribution (diffusivity) were de-convoluted for each isotope. The root mean square radii of Na and Mg isotopes obtained so far were consistent with the ones from literature. (author)

  17. Dynamic atomic layer epitaxy of InN on/in +c-GaN matrix: Effect of “In+N” coverage and capping timing by GaN layer on effective InN thickness

    Energy Technology Data Exchange (ETDEWEB)

    Yoshikawa, Akihiko, E-mail: yoshi@faculty.chiba-u.jp [Center for SMART Green Innovation Research, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Graduate School of Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan); Kusakabe, Kazuhide; Hashimoto, Naoki [Center for SMART Green Innovation Research, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Hwang, Eun-Sook; Itoi, Takaomi [Graduate School of Engineering, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan)

    2016-01-11

    The growth front in the self-organizing and self-limiting epitaxy of ∼1 monolayer (ML)-thick InN wells on/in +c-GaN matrix by molecular beam epitaxy (MBE) has been studied in detail, with special attention given to the behavior and role of the N atoms. The growth temperatures of interest are above 600 °C, far higher than the typical upper critical temperature of 500 °C in MBE. It was confirmed that 2 ML-thick InN wells can be frozen/inserted in GaN matrix at 620 °C, but it was found that N atoms at the growth front tend to selectively re-evaporate more quickly than In atoms at temperatures higher than 650 °C. As a result, the effective thickness of inserted InN wells in the GaN matrix at 660–670 °C were basically 1 ML or sub-ML, even though they were capped by a GaN barrier at the time of 2 ML “In+N” coverage. Furthermore, it was found that the N atoms located below In atoms in the dynamic atomic layer epitaxy growth front had remarkably weaker bonding to the +c-GaN surface.

  18. Dynamic atomic layer epitaxy of InN on/in +c-GaN matrix: Effect of “In+N” coverage and capping timing by GaN layer on effective InN thickness

    International Nuclear Information System (INIS)

    The growth front in the self-organizing and self-limiting epitaxy of ∼1 monolayer (ML)-thick InN wells on/in +c-GaN matrix by molecular beam epitaxy (MBE) has been studied in detail, with special attention given to the behavior and role of the N atoms. The growth temperatures of interest are above 600 °C, far higher than the typical upper critical temperature of 500 °C in MBE. It was confirmed that 2 ML-thick InN wells can be frozen/inserted in GaN matrix at 620 °C, but it was found that N atoms at the growth front tend to selectively re-evaporate more quickly than In atoms at temperatures higher than 650 °C. As a result, the effective thickness of inserted InN wells in the GaN matrix at 660–670 °C were basically 1 ML or sub-ML, even though they were capped by a GaN barrier at the time of 2 ML “In+N” coverage. Furthermore, it was found that the N atoms located below In atoms in the dynamic atomic layer epitaxy growth front had remarkably weaker bonding to the +c-GaN surface

  19. Study of neutron-rich nuclei structure around the N=28 shell closure using the in-beam gamma spectroscopy technique

    International Nuclear Information System (INIS)

    For a few years now, a loss of magicity in neutron-rich nuclei near the neutron drip-line at N=28 has been suggested and observed. Deformation in these nuclei has been observed. The deformation was explained in S isotopes as being due to a moderate reduction of the N=28 shell closure together with a proton induced collectivity originating from the near degeneracy of the proton d3/2 and s1/2 orbitals. As a consequence, the observed deformation seems to result from a subtle interplay between neutron and proton excitations. Since the proton configuration in the Si isotopes is expected to be more stable due to the Z=14 sub-shell gap, 42Si was considered as a key nucleus in order to distinguish the different effects responsible for the structural changes observed at N=28. Even if it is at the limits of our technical possibilities, an in-beam gamma-spectroscopy experiment using two-step fragmentation and one or several nucleons knockout reaction mechanisms was performed at GANIL. The measurement of the energy of the first excited state in 42Si, combined with the observation of 38,40Si and the spectroscopy of 41,43P, has given evidence for the loss of magicity at N=28 far from stability. Modifications of the effective interaction used in modern shell model calculations have been completed following this investigation, increasing its predictive character. This study confirms the role of the tensor force and the density dependence of the spin-orbit interaction in the collapse of the N=28 shell closure. (author)

  20. Modeling and Simulation on NOx and N2O Formation in Co-combustion of Low-rank Coal and Palm Kernel Shell

    Directory of Open Access Journals (Sweden)

    Mahidin Mahidin

    2012-12-01

    Full Text Available NOx and N2O emissions from coal combustion are claimed as the major contributors for the acid rain, photochemical smog, green house and ozone depletion problems. Based on the facts, study on those emissions formation is interest topic in the combustion area. In this paper, theoretical study by modeling and simulation on NOx and N2O formation in co-combustion of low-rank coal and palm kernel shell has been done. Combustion model was developed by using the principle of chemical-reaction equilibrium. Simulation on the model in order to evaluate the composition of the flue gas was performed by minimization the Gibbs free energy. The results showed that by introduced of biomass in coal combustion can reduce the NOx concentration in considerably level. Maximum NO level in co-combustion of low-rank coal and palm kernel shell with fuel composition 1:1 is 2,350 ppm, low enough compared to single low-rank coal combustion up to 3,150 ppm. Moreover, N2O is less than 0.25 ppm in all cases. Keywords: low-rank coal, N2O emission, NOx emission, palm kernel shell

  1. Interface-directed spinodal decomposition in TiAlN/CrN multilayer hard coatings studied by atom probe tomography

    International Nuclear Information System (INIS)

    Microstructural and compositional changes in TiAlN/CrN multilayered films occurring at temperatures up to 1000 °C were studied at different length scales by a combination of atom probe tomography, transmission electron microscopy and X-ray diffraction. We observe the onset of decomposition of the multilayer structure at 700 °C via the mechanism of interface-directed spinodal decomposition of TiAlN layers, where Al atoms preferentially move toward the nearest interface and segregate there. The interface-directed mechanism later transforms into isotropic spinodal decomposition and is accompanied by intense interdiffusion between the constituting layers. Distinct compositional gradients across columnar grain boundaries (extending perpendicular to the multilayers) are detected at this stage of decomposition. Drastic differences in decomposition behavior across the film depth were observed at elevated temperatures (800–1000 °C): the layered structure completely dissolves in the near-surface part but persists in the regions distant from the surface. The influence of residual stresses caused by the sputter deposition process on the thermally induced evolution of the multilayer thin films is discussed

  2. Surface morphology of sputter deposited W-Si-N composite coatings characterized by atomic force microscopy

    International Nuclear Information System (INIS)

    Tungsten-silicon-nitride (W-Si-N) composite coatings on Si(100) substrates were sputter deposited at various silicon target currents, and their surface morphology was studied with scaling analysis and fractal analysis based on atomic force microscopy (AFM). The root-mean-square (rms) roughness σ, roughness exponent α, the correlation length ξ and the average magnitude of the lateral surface slope ρ decrease with the silicon target current, which is caused by the impeding effect of amorphous Si3N4 on the grain growth of W2N and W5Si3. The competition of surface diffusion and shadowing effect together with other processes drives the formation of columnar grains with mould-like tops. The fractal dimensions obtained using power spectrum method and the R/S method are 2.16 ± 0.04 and 2.15 ± 0.01, respectively, and they both increase with the silicon target current

  3. Penning-trap mass spectrometry of neutron-rich copper isotopes for probing the Z = 28 and N = 50 shell closures

    CERN Multimedia

    Manea, V

    We propose to perform a Penning-trap mass measurement of $^{79}$Cu. This exotic N = 50 isotone is the last frontier before the doubly-magic $^{78}$Ni and will greatly improve our knowledge of shell evolution. In the same run, we propose $^{77-78}$Cu mass measurements, as well as the search for a possible isomer in $^{76m}$Cu. The data will help to clarify the structure of the odd proton in the Cu isotopes, the influence on the Z = 28 proton core of the νg$_{9/2}$ orbital filling and the impact of the proton-neutron residual interaction on the strength of the N = 50 shell closure.

  4. Metastable atomic species in the N{sub 2} flowing afterglow

    Energy Technology Data Exchange (ETDEWEB)

    Levaton, J. [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol - CTBE/CNPEM, Caixa Postal 6170, 13083-970 Campinas, Sao Paulo (Brazil); Amorim, J., E-mail: jayr.amorim@bioetanol.org.br [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol - CTBE/CNPEM, Caixa Postal 6170, 13083-970 Campinas, Sao Paulo (Brazil)

    2012-03-13

    Graphical abstract: Calculated N({sup 4}S), N({sup 2}D) and N({sup 2}P) absolute densities as a function of the afterglow time. Highlights: Black-Right-Pointing-Pointer Nitrogen flowing post-discharge. Black-Right-Pointing-Pointer N({sup 4}S) and N({sup 2}D) densities. Black-Right-Pointing-Pointer Kinetic numerical model of the nitrogen afterglow. - Abstract: We have studied by optical emission spectroscopy the post-discharge of a pure N{sub 2} DC flowing discharge in such experimental conditions that the pink afterglow and the Lewis-Rayleigh afterglow occur. The emission profiles originated from the N{sub 2}(B{sup 3}{Pi}{sub g}), N{sub 2}(C{sup 3}{Pi}{sub u}) and N{sub 2}{sup +}(B{sup 2}{Sigma}{sub u}{sup +}) states and the N{sub 2}(B{sup 3}{Pi}{sub g},6{<=}v{<=}12) and N{sub 2}(C{sup 3}{Pi}{sub u},0{<=}v{<=}4) vibrational distributions were obtained in the post-discharge region. With basis on the works of Bockel et al. [S. Bockel, A.M. Diamy, A. Ricard, Surf. Coat. Tech. 74 (1995) 474] and Amorim and Kiohara [J. Amorim, V. Kiohara, Chem. Phys. Lett. 385 (2004) 268], we have obtained the experimental N({sup 4}S) and N({sup 2}D) relative densities along the post-discharge. A numerical model, previously developed to describe the neutral atomic, molecular and ionic species in the afterglow, was improved to include the kinetics of N({sup 2}D) and N({sup 2}P) states. Several kinetic mechanisms leading to the production of N({sup 2}D) in the post-discharge have been studied in order to explain the experimental data. We have determined that the dominant one is the reaction N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +},v>8)+N({sup 4}S){yields}N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +})+N({sup 2}D) with an estimated rate constant of 7 Multiplication-Sign 10{sup -14} cm{sup 3} s{sup -1}. Also, the fit of the numerical density profiles of N{sub 2}(C{sup 3}{Pi}{sub u}) and N{sub 2}{sup +}(B{sup 2}{Sigma}{sub u}{sup +}) to the experimental ones has provided the rate constant for reaction

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

    Science.gov (United States)

    Mamedov, B. A.; Çopuroğlu, E.

    2016-06-01

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

  6. Vibrationally resolved photoionization of the 1{sigma}{sub g} and 1{sigma}{sub u} shells of N{sub 2} molecule

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, S K [State University of Aerospace Instrumentation, 190000 St Petersburg (Russian Federation); Cherepkov, N A [State University of Aerospace Instrumentation, 190000 St Petersburg (Russian Federation); Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Matsumoto, M [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Fujiwara, K [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Ueda, K [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Kukk, E [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Department of Physics, University of Turku, FIN-20014, Turku (Finland); Tahara, F [Department of Physical Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Sunami, T [Department of Physical Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Yoshida, H [Department of Physical Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Tanaka, T [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); Nakagawa, K [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); Kitajima, M [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); Tanaka, H [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); De Fanis, A [Japan Synchrotron Radiation Research Institute, Sayo-gun, Hyogo 679-5198 (Japan)

    2006-01-28

    Theoretical and experimental study of vibrationally resolved partial photoionization cross sections and angular asymmetry parameter {beta} for the 1{sigma}{sub g} and 1{sigma}{sub u} shells of N{sub 2} molecule in the region of the {sigma}* shape resonance is reported. The measurements were made at the synchrotron radiation facility SPring-8 in Japan. The calculations in the random phase approximation have been performed using the relaxed core Hartree-Fock wavefunctions with the fractional charge of the ion core equal to 0.7. With its help, the role of interchannel coupling between the closely spaced 1{sigma}{sub g} and 1{sigma}{sub u} shells was studied. The experiment demonstrates the existence of a correlational maximum in the 1{sigma}{sub u} shell photoionization cross section induced by the {sigma}* shape resonance in the 1{sigma}{sub g} shell. This maximum reveals itself even more clearly in the angular asymmetry parameter {beta} for the v' = 0 and v' = 1 vibrational states of the ion. The calculation in the random phase approximation gives a consistent interpretation of the experimental data.

  7. Influence of an external field on the decay of coherently excited n = 2 states of the hydrogen atom

    International Nuclear Information System (INIS)

    We analyse the validity of the approximation of neglecting the 22S1/2-22P3/2 coupling in the description of the fluorescence from the n = 2 states of hydrogen atoms decaying in the presence of an external electric field. The results show the inadequacy of such an approach and point to the need for a re-interpretation of some previously reported experimental values of the state multipoles of the collisionally excited n = 2 hydrogen atoms. (Author)

  8. Measurement of partial coefficients of sputtering of titanium atoms from TiC and TiN coatings

    International Nuclear Information System (INIS)

    Method of laser fluorescent spectroscopy was used to measure partial coefficients of sputtering of titanium atoms from TiC and TiN coatings under irradiation by 1 keV hydrogen ions. Irradiation was conducted in a plant with reflective discharge. Investigation of damaged layer in irradiated samples was conducted. The presence of near-the-surface layer enrichment with titanium atoms was revealed both in TiC and TiN samples. 12 refs.; 4 figs

  9. Selective population of ground terms in /sup 14/N atoms after ion-beam--surface interaction at grazing incidence

    Energy Technology Data Exchange (ETDEWEB)

    Winter, H.; Langheim, M.; Schirmacher, A.; Zimny, R.; Andra, H.J.

    1984-04-02

    The orientation of angular momenta in the ground terms of /sup 14/N atoms after the interaction of 350-keV /sup 14/N/sup +/ ions with a solid surface at grazing incidence is investigated by a Zeeman quantum-beat technique. After the ion-solid interaction, a term-selective and highly polarized fast beam of nitrogen atoms is observed. The phenomenon is interpreted in terms of a Pauli-principle--induced selective population.

  10. Kinetic analysis of interaction between N atoms and O-covered Ru(0001)

    International Nuclear Information System (INIS)

    Eley-Rideal (ER) reactions involving neutral atoms heavier than hydrogen reacting with adsorbed atoms of similar mass were first observed in recent molecular beam experiments by Zaharia et al. [Phys. Rev. Lett. 113, 053201 (2014)]. Through analysis of two types of measurements, they obtained different estimations for the N–O ER reaction cross section, one of which is unexpectedly high. This was qualitatively accounted for by invoking a secondary effect whereby the presence of N adatoms on the surface acted to “shield” O adatoms from prompt recombinative desorption. We apply a rate equation model that includes two ER processes involving different adsorbed species (N–Oad and N–Nad) and an N-adsorption process to the full-beam exposure subset of the experimental data in order to study the reaction kinetics. Values for the individual reaction cross sections are derived. The measured N2 response can be well described by the model, but it is insufficient to completely describe the NO response. Modeling of different exposures is used to evaluate the qualitative picture presented by Zaharia et al

  11. Study of the 7Be(p,γ)8B and 7Li(n,γ)8Li capture reactions using the shell model embedded in the continuum

    International Nuclear Information System (INIS)

    The realistic shell model which includes the coupling between many-particle (quasi-)bound states and the continuum of one-particle scattering states is applied to the spectroscopy of mirror nuclei: 8B and 8Li, as well as to the description of low energy cross sections (the astrophysical S factors) in the capture reactions: 7Be(p,γ)8B and 7Li(n,γ)8Li. (author)

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

    OpenAIRE

    Heyrovska, Raji

    2007-01-01

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

  13. Resonant collisions of Na nS and nD Rydberg atoms

    International Nuclear Information System (INIS)

    A large enhancement in the resonant collisional energy-transfer process Na(ns)+Na(ns) →Na[(n-1)p]+Na(nl) or Na(ns)+Na(ns)→Na(np)+Na[(n-1)l] is observed when the initial ns state lies midway between (n-1)p and an nl state or between np and an (n-1)l state. This resonance condition, achieved by the electric field tuning of the levels, leads to large cross sections approx.109 A2 and narrow linewidths approx.1 GHz. These cross sections and linewidths are comparable to the previously observed resonant process Na(ns)+Na(ns)→Na[(n-1)p]+Na (np). We have also observed a similar collisional energy transfer starting from a completely different initial state, i.e., Na(15d)+Na(15d)→Na(16f)+Na (15p). In this case the enhancement in the cross section (approx.108 A2) is observed at a relatively low electric field approx.17 V/cm

  14. 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....

  15. Influence of N atomic percentages on cell attachment for CN$_x$ coatings

    Indian Academy of Sciences (India)

    D J Li; L F Niu

    2003-06-01

    Carbon film is an excellent candidate for use as a biocompatible coating due to its excellent properties. However, considerable attention has just been focused on the biocompatibility of diamond-like carbon (DLC) in recent years. It is difficult to find reports on the investigations of the biocompatibility of CN$_x$ so far. It is well known that CN$_x$ has similar structural characteristics as that of DLC. Its excellent mechanical and tribological properties are comparable to that of DLC. In addition, it is probable that the presence of nitrogen leads to a positive effect on biocompatibility. So, this work focusses on cell attachment of CN$_x$ coating and the relation between nitrogen atomic percentage and cell attachment. CN$_x$ coatings were prepared using magnetron sputtering under two N2 partial pressures for the evaluation of relation between nitrogen atomic percentage and cell attachment. Cell culture tests using human endothelial cells and mouse fibroblasts were performed. Both coatings resulted in no adverse effects on the cells in culture. Compared with CN$_x$ ( = 0.088), CN$_x$ ( = 0.149) film provided a better surface for normal cellular attachment, spreading and proliferation without apparent impairment of cell physiology. At the same time, the coatings exhibited excellent tribological and corrosion performance. XPS and AES analyses showed that higher nitrogen atomic percentage might lead to a positive effect on the cell attachment.

  16. Conversión de esquemas preconceptuales a diagrama de casos de uso empleando atom3

    Directory of Open Access Journals (Sweden)

    CARLOS M. ZAPATA J

    2007-01-01

    Full Text Available El diagrama de casos de uso describe las interacciones entre un usuario y una pieza de software. Se han realizado algunos trabajos que buscan la generación automática o semiautomática del diagrama de casos de uso desde descripciones en lenguajes naturales o controlados. Sin embargo, estos esfuerzos no han sido suficientes porque algunos parten de un lenguaje controlado orientado a la solución, la cual no existe en las etapas iniciales del ciclo de vida del software; otros trabajos requieren una alta intervención del analista para la generación del diagrama, lo cual es altamente inconveniente si se trata de automatizar el proceso; finalmente, no se identifican todos los elementos del diagrama de casos de uso, en particular las relaciones especiales (>, > e >. En este artículo se define un método basado en reglas heurísticas que permite identificar los actores, los casos de uso y las relaciones especiales del diagrama de casos de uso, tomando como punto de partida una representación en lenguaje controlado del dominio del problema: los denominados esquemas preconceptuales. Además, se realiza la implementación de estas heurísticas en la herramienta metaCASE AToM3 y se ejemplifica con un caso de estudio

  17. Atomic layer deposition of AlN for thin membranes using trimethylaluminum and H2/N2 plasma

    Science.gov (United States)

    Goerke, Sebastian; Ziegler, Mario; Ihring, Andreas; Dellith, Jan; Undisz, Andreas; Diegel, Marco; Anders, Solveig; Huebner, Uwe; Rettenmayr, Markus; Meyer, Hans-Georg

    2015-05-01

    Aluminum nitride (AlN) thin films with thicknesses from 20 to 100 nm were deposited on silicon, amorphous silica, silicon nitride, and vitreous carbon by plasma enhanced atomic layer deposition (PE-ALD). Trimethylaluminum (TMA) and a H2/N2 plasma mixture were used as precursors. We investigated the influence of deposition temperature and plasma parameters on the growth characteristics and the film properties of AlN. Stable PE-ALD growth conditions were obtained from 150 °C to the highest tested temperature of 300 °C. The growth rate, refractive index, and thickness homogeneity on 4″ wafers were determined by spectroscopic ellipsometry. X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM) and Rutherford backscattering spectrometry (RBS) were carried out to analyze crystallinity and composition of the films. Furthermore, the thermal conductivity and the film stress were determined. The stress was sufficiently low to fabricate mechanically stable free-standing AlN membranes with lateral dimensions of up to 2.2 × 2.2 mm2. The membranes were patterned with focused ion beam etching. Thus, these AlN membranes qualify as dielectric support material for a variety of potential applications.

  18. Shelled opisthobranchs.

    Science.gov (United States)

    Mikkelsen, Paula M

    2002-01-01

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

  19. Surface atomic arrangements of polar (000-1) and semipolar (11-22) InN layers

    International Nuclear Information System (INIS)

    InN surface studies and their related electronic properties still lack a fundamental understanding, despite their great technological relevance. We performed surface studies on N-polar (000-1) InN layers grown directly on (0001) sapphire and semipolar (11-22) InN layers grown on (11-22) GaN templates by MOVPE. Morphology, atomic structure and surface symmetry of InN samples were measured by scanning tunneling microscopy (STM) and low energy electron diffraction (LEED), respectively. Moreover, Auger electron spectroscopy was used for chemical composition analysis of the layers. The oxidized surfaces were annealed at 450 C under UHV conditions resulting in a significant reduction of the surface carbon and oxygen contaminations. Single atomic steps were observed on the clean (000-1) InN surface. Surface reconstruction (1 x 1) was observed by LEED and confirmed by the atom-resolved STM image. Scanning tunneling spectroscopy showed a metallic behavior on the N-polar InN that is in good agreement with predicted metal adlayer on the surface. The atomic arrangement of (11-22) InN layers showed no evidence of dimers or adatoms on the surface but the presence of In monolayer in agreement with the calculations by Yamashita et al.

  20. Facile synthesis and characterization of highly fluorescent and biocompatible N-acetyl-l-cysteine capped CdTe/CdS/ZnS core/shell/shell quantum dots in aqueous phase

    International Nuclear Information System (INIS)

    The synthesis of water-soluble quantum dots (QDs) in aqueous phase has received much attention recently. To date various kinds of QDs such as CdTe, CdSe, CdTe/CdS and CdSe/ZnS have been synthesized by aqueous methods. However, generally poor-quality QDs (photoluminescent quantum yield (PLQY) lower than 30%) are obtained via this method and the 3-mercaptopropionic acid stabilizer is notorious for its toxicity and awful odor. Here we introduce a novel thiol ligand, N-acetyl-l-cysteine, as an ideal stabilizer that is successfully employed to synthesize high-quality CdTe/CdS/ZnS QDs via a simple aqueous phase. The core/shell/shell structures of the CdTe/CdS/ZnS QDs were verified by x-ray photoelectron spectroscopy, energy dispersive x-ray spectroscopy, x-ray powder diffraction and transmission electron microscopy. These QDs not only possess a high PLQY but also have excellent photostability and favorable biocompatibility, which is vital for many biological applications. This type of water-dispersed QD is a promising candidate for fluorescent probes in biological and medical fields. (paper)

  1. Current transport mechanisms in plasma-enhanced atomic layer deposited AlN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Altuntas, Halit, E-mail: altunhalit@gmail.com, E-mail: biyikli@unam.bilkent.edu.tr [Faculty of Science, Department of Physics, Cankiri Karatekin University, Cankiri 18100 (Turkey); Ozgit-Akgun, Cagla; Donmez, Inci; Biyikli, Necmi, E-mail: altunhalit@gmail.com, E-mail: biyikli@unam.bilkent.edu.tr [National Nanotechnology Research Center (UNAM), Bilkent University, Bilkent, Ankara 06800 (Turkey); Institute of Materials Science and Nanotechnology, Bilkent University, Bilkent, Ankara 06800 (Turkey)

    2015-04-21

    Here, we report on the current transport mechanisms in AlN thin films deposited at a low temperature (i.e., 200 °C) on p-type Si substrates by plasma-enhanced atomic layer deposition. Structural characterization of the deposited AlN was carried out using grazing-incidence X-ray diffraction, revealing polycrystalline films with a wurtzite (hexagonal) structure. Al/AlN/ p-Si metal-insulator-semiconductor (MIS) capacitor structures were fabricated and investigated under negative bias by performing current-voltage measurements. As a function of the applied electric field, different types of current transport mechanisms were observed; i.e., ohmic conduction (15.2–21.5 MV/m), Schottky emission (23.6–39.5 MV/m), Frenkel-Poole emission (63.8–211.8 MV/m), trap-assisted tunneling (226–280 MV/m), and Fowler-Nordheim tunneling (290–447 MV/m). Electrical properties of the insulating AlN layer and the fabricated Al/AlN/p-Si MIS capacitor structure such as dielectric constant, flat-band voltage, effective charge density, and threshold voltage were also determined from the capacitance-voltage measurements.

  2. The higher order C_n dispersion coefficients for the alkali atoms

    CERN Document Server

    Mitroy, J

    2004-01-01

    The van der Waals coefficients, from C_11 through to C_16 resulting from 2nd, 3rd and 4th order perturbation theory are estimated for the alkali (Li, Na, K and Rb) atoms. The dispersion coefficients are also computed for all possible combinations of the alkali atoms and hydrogen. The parameters are determined from sum-rules after diagonalizing the fixed core Hamiltonian in a large basis. Comparisons of the radial dependence of the C_n/r^n potentials give guidance as to the radial regions in which the various higher-order terms can be neglected. It is seen that including terms up to C_10/r^10 results in a dispersion interaction that is accurate to better than 1 percent whenever the inter-nuclear spacing is larger than 20 a_0. This level of accuracy is mainly achieved due to the fortuitous cancellation between the repulsive (C_11, C_13, C_15) and attractive (C_12, C_14, C_16) dispersion forces.

  3. 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)].

  4. Positron probing of gamma-irradiated Ge doped with P, As, Sb, and Bi: Changes in atomic structures of defects due to n->p conversion

    Energy Technology Data Exchange (ETDEWEB)

    Arutyunov, N.Yu., E-mail: n_arutyunov@yahoo.co [Institute of Electronics, UAS, 700170 Tashkent (Uzbekistan); Emtsev, V.V. [Ioffe Physicotechnical Institute, RAS, 194021 St. Petersburg (Russian Federation)

    2009-12-15

    The emission of the high-momentum annihilation radiation from the subvalent ion core shells and electron density around a positron localized at a vacancy-group-V-impurity atom complexes produced in oxygen-lean Ge doped with P, As, Sb, and Bi by irradiation with {sup 60}Co gamma-rays at room temperature have been investigated with the help of the angular correlation of annihilation radiation (ACAR) before and after n->p conversion. The probability of positron annihilation in the subvalent shells of atoms incorporated in dominant radiation centers was found to be dependent on the ratio of the ion core radii r{sub i}(P{sup 5+}, As{sup 5+})/r{sub i}(Ge{sup 4+})<1 and r{sub i}(Sb{sup 5+}, Bi{sup 5+})/r{sub i}(Ge{sup 4+})>1, respectively. In passing from P to As impurity atoms the activation energy DELTAE{sub e} of electron emission to be detected by DLTS measurements is increased by approx(+0.017 eV) vs. the increase of the electron density parameter to be reconstructed by ACAR data, DELTAr'{sub s}=r'{sub s}(As)-r'{sub s}(P)approx0.029 a.u. On the contrary, in passing from Sb to Bi impurity atoms, DELTAE{sub e} value is decreased by approx(-0.028 eV) whereas the electron density parameter rises by DELTAr'{sub s}=r'{sub s}(Bi)-r'{sub s}(Sb)approx0.04 a.u. After n->p conversion a marked decrease in both the electron density and the number of ion cores around the positron points to the fact that the radiation-produced complexes with group-V-impurity atoms (P, As, Sb, Bi) are of a multi-vacancy character. The deep acceptor states in the forbidden gap (E{sub v}+0.1), (E{sub v}+0.12), (E{sub v}+0.16) eV to be attributed to the P-, As-, Sb-, and Bi-containing multi-vacancy centers, respectively, were found to contribute to lessening the electron density around the trapped positron. It is argued that a close similarity of the As{sup 5+} and Ge{sup 4+} ion cores results in a small (but marked) augmentation in the electron density around the positron

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

    CERN Document Server

    Heyrovska, Raji

    2007-01-01

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

  6. Porous Core-Shell Fe3C Embedded N-doped Carbon Nanofibers as an Effective Electrocatalysts for Oxygen Reduction Reaction.

    Science.gov (United States)

    Ren, Guangyuan; Lu, Xianyong; Li, Yunan; Zhu, Ying; Dai, Liming; Jiang, Lei

    2016-02-17

    The development of nonprecious-metal-based electrocatalysts with high oxygen reduction reaction (ORR) activity, low cost, and good durability in both alkaline and acidic media is very important for application of full cells. Herein, we developed a facile and economical strategy to obtain porous core-shell Fe3C embedded nitrogen-doped carbon nanofibers (Fe3C@NCNF-X, where X denotes pyrolysis temperature) by electrospinning of polyvinylidene fluoride (PVDF) and FeCl3 mixture, chemical vapor phase polymerization of pyrrole, and followed by pyrolysis of composite nanofibers at high temperatures. Note that the FeCl3 and polypyrrole acts as precursor for Fe3C core and N-doped carbon shell, respectively. Moreover, PVDF not only plays a role as carbon resources, but also provides porous structures due to hydrogen fluoride exposure originated from thermal decomposition of PVDF. The resultant Fe3C@NCNF-X catalysts, particularly Fe3C@NCNF-900, showed efficient electrocatalytic performance for ORR in both alkaline and acidic solutions, which are attributed to the synergistic effect between Fe3C and N-doped carbon as catalytic active sites, and carbon shell protects Fe3C from leaching out. In addition, the Fe3C@NCNF-X catalyst displayed a better long-term stability, free from methanol crossover and CO-poisoning effects than those of Pt/C, which is of great significance for the design and development of advanced electrocatalysts based on nonprecious metals. PMID:26808226

  7. Modeling and Simulation on NOx and N2O Formation in Co-combustion of Low-rank Coal and Palm Kernel Shell

    OpenAIRE

    Mahidin Mahidin; Asri Gani; Khairil Khairil

    2012-01-01

    NOx and N2O emissions from coal combustion are claimed as the major contributors for the acid rain, photochemical smog, green house and ozone depletion problems. Based on the facts, study on those emissions formation is interest topic in the combustion area. In this paper, theoretical study by modeling and simulation on NOx and N2O formation in co-combustion of low-rank coal and palm kernel shell has been done. Combustion model was developed by using the principle of chemical-reaction equilib...

  8. Atomic and electronic structure of N-terminated GaN(0001) (1 × 1) surface

    Czech Academy of Sciences Publication Activity Database

    Romanyuk, Olexandr; Jiříček, Petr; Paskova, T.

    2012-01-01

    Roč. 398, č. 1 (2012), 1-6. ISSN 1742-6588. [17th International School on Condensed Matter Pjysics (ISCMP): Open Problems in Condesed Matter Physics, BIiomedical Physics and their Applications. Varna, 02.09.2012-07..09.2012] R&D Projects: GA ČR GPP204/10/P028 Grant ostatní: AV ČR(CZ) M100101201 Institutional research plan: CEZ:AV0Z10100521 Keywords : clean surfaces * GaN * photoelectron diffraction * REELS * ab initio DFT * optical response Subject RIV: BM - Solid Matter Physics ; Magnetism http://iopscience.iop.org/1742-6596/398/1/012013

  9. Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan's upper atmosphere and the interstellar medium

    Science.gov (United States)

    Wang, Zhe-Chen; Bierbaum, Veronica M.

    2016-06-01

    The likely existence of aromatic anions in many important extraterrestrial environments, from the atmosphere of Titan to the interstellar medium (ISM), is attracting increasing attention. Nitrogen and oxygen atoms are also widely observed in the ISM and in the ionospheres of planets and moons. In the current work, we extend previous studies to explore the reactivity of prototypical aromatic anions (deprotonated toluene, aniline, and phenol) with N and O atoms both experimentally and computationally. The benzyl and anilinide anions both exhibit slow associative electron detachment (AED) processes with N atom, and moderate reactivity with O atom in which AED dominates but ionic products are also formed. The reactivity of phenoxide is dramatically different; there is no measurable reaction with N atom, and the moderate reactivity with O atom produces almost exclusively ionic products. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions and their relevance to ionospheric and interstellar chemistry.

  10. Erosión Bacteriana del Caparazón en el camarón Penaeus vannamei (Bacterial Erosion of the Shell in the species of shrimp Penaeus vannamei

    Directory of Open Access Journals (Sweden)

    Fonseca Moreno, E.

    2010-05-01

    Full Text Available ResumenEl presente trabajo describe un caso clínico de Erosión Bacteriana del Caparazón en camarones de la especie Penaeus vannamei, diagnosticado a partir de la observación macroscópica y microscópica de muestras de cutícula, exponiéndose fotografías de los resultados. También se presentan algunas consideraciones relacionadas con loselementos que frecuentemente aparecen previamente en esta enfermedad.SummaryThe present work describes e clinical case of Bacterium Erosion of the Shell in shrimps of the species Penaeus vannamei. The diagnosis was carried out by the macroscopic and microscopic observation of cuticles. It exposes photos of the results too. It shows some considerations about the elements that usually appear previous ofthis disease.

  11. Survivability and Fusibility in Reactions Leading to Heavy Nuclei in the Vicinity of the N=126 Closed Shell

    International Nuclear Information System (INIS)

    nuclei from Po to Th around the N=126 neutron shell in complete fusion reactions induced by heavy ions has been considered in a systematic way within the framework of the conventional barrier passing (fusion) model coupled with the standard statistical model (SSM), both of which are incorporated into the HIVAP code [7]. Available data for fission and ER excitation functions obtained in very asymmetric combinations can be described within these models rather well (see, e.g., [8]). The data allow one to set model parameters unambiguously. In particular, one can scale and fix macroscopic (liquid-drop) fission barriers for nuclei involved in the evaporation-fission cascade. In combinations of heavy target nuclei with massive projectiles, where QF is starting to appear in the entrance channel of reactions, it is necessary to introduce empirically the fusion probability (Pfusfus in order to reproduce ER excitation functions using the same SSM parameters (fission barriers) as those obtained in the analysis of very asymmetric combinations. The macroscopic component of fission barriers for nuclei from Po to Th, which are involved in a CN de-excitation cascade, have been derived in the framework of the analysis and compared with the predictions of various theoretical models. An attempt is also undertaken to systematize the Pfus and Bfus parameters which characterize the effect of fusion suppression.(author)

  12. $\\overline{\\rm MS}$-on-shell quark mass relation up to four loops in QCD and a general SU$(N)$ gauge group

    CERN Document Server

    Marquard, Peter; Smirnov, Vladimir A; Steinhauser, Matthias; Wellmann, David

    2016-01-01

    In this paper we compute the relation between heavy quark masses defined in the modified minimal subtraction and on-shell scheme. Detailed results are presented for all coefficients of the SU$(N_c)$ colour factors. The reduction of the four-loop on-shell integrals is performed for a general QCD gauge parameter. Some of the about 380 master integrals are computed analytically, others with high numerical precision based on Mellin-Barnes representations, and the rest numerically with the help of {\\tt FIESTA}. We discuss in detail the precise numerical evaluation of the four-loop master integrals. Updated relations between various short-distance masses and the $\\overline{\\rm MS}$ quark mass to next-to-next-to-next-to-leading order accuracy are provided for the charm, bottom and top quark. We discuss the dependence on the renormalization and factorization scale.

  13. Particles and Shells

    CERN Document Server

    Palazzi, P

    2003-01-01

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

  14. Composition and Interface Analysis of InGaN/GaN Multiquantum-Wells on GaN Substrates Using Atom Probe Tomography

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Fang; Huang, Li; Davis, Robert F.; Porter, Lisa M.; Schreiber, Daniel K.; Kuchibhatla, S. V. N. T.; Shutthanandan, V.; Thevuthasan, Suntharampillai; Preble, Edward; Paskova, Tanya; Evans, K. R.

    2014-09-04

    In0.20Ga0.80N/GaN multi-quantum wells grown on [0001]-oriented GaN substrates with and without an InGaN buffer layer were characterized using three-dimensional atom probe tomography. In all samples, the upper interfaces of the QWs were slightly more diffuse than the lower interfaces. The buffer layers did not affect the roughness of the interfaces within the quantum well structure, a result attributed to planarization of the surface of the 1st GaN barrier layer which had an average root-mean-square roughness of 0.177 nm. The In and Ga distributions within the MQWs followed the expected distributions for a random alloy with no indications of In clustering.

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

    International Nuclear Information System (INIS)

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

  16. Fabrication of AlN/BN bishell hollow nanofibers by electrospinning and atomic layer deposition

    Directory of Open Access Journals (Sweden)

    Ali Haider

    2014-09-01

    Full Text Available Aluminum nitride (AlN/boron nitride (BN bishell hollow nanofibers (HNFs have been fabricated by successive atomic layer deposition (ALD of AlN and sequential chemical vapor deposition (CVD of BN on electrospun polymeric nanofibrous template. A four-step fabrication process was utilized: (i fabrication of polymeric (nylon 6,6 nanofibers via electrospinning, (ii hollow cathode plasma-assisted ALD of AlN at 100 °C onto electrospun polymeric nanofibers, (iii calcination at 500 °C for 2 h in order to remove the polymeric template, and (iv sequential CVD growth of BN at 450 °C. AlN/BN HNFs have been characterized for their chemical composition, surface morphology, crystal structure, and internal nanostructure using X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, and selected area electron diffraction. Measurements confirmed the presence of crystalline hexagonal BN and AlN within the three dimensional (3D network of bishell HNFs with relatively low impurity content. In contrast to the smooth surface of the inner AlN layer, outer BN coating showed a highly rough 3D morphology in the form of BN nano-needle crystallites. It is shown that the combination of electrospinning and plasma-assisted low-temperature ALD/CVD can produce highly controlled multi-layered bishell nitride ceramic hollow nanostructures. While electrospinning enables easy fabrication of nanofibrous template, self-limiting reactions of plasma-assisted ALD and sequential CVD provide control over the wall thicknesses of AlN and BN layers with sub-nanometer accuracy.

  17. Quadrupole moment of the 7/21- isomer state in 43S. Shell model study of sulfur isotopes around N=28

    International Nuclear Information System (INIS)

    The goal of this work consists in providing new insights in the shape coexistence expected in neutron-rich nuclei around the N=28 shell closure. In 43S, recent experimental data as well as their interpretation in the shell model framework were used to predict the coexistence between a Jπ=3/21- prolate deformed ground state and a 7/21- rather spherical isomer state. We report on the quadrupole moment measurement Qs of the 7/21- isomer state [E*=320.5(5) keV, T1/2=415(3) ns] in 43S. The TDPAD method was applied on 43S nuclei produced by the fragmentation of a 48Ca primary beam at 345 A.MeV, and selected in-flight through the BigRIPS spectrometer at RIKEN (Japan). The measured value, |Qs|=23(3) efm2, is in remarkable agreement with that calculated in the shell model framework, although it is significantly larger than that expected for a single-particle state. In order to understand the nature of the correlations responsible for the departure of the isomer state from a pure spherical shape, we report on the results of a shell model study using the modern SDPF-U interaction of the neighbors sulfur isotopes 42,44,46S. Those calculations allowed to identify a slight triaxial degree of freedom in the structure of these nuclei, although the latter happens to be highly hindered at N=28 in 44S. Spectroscopic factor calculations show that this slight triaxial degree of freedom also impacts the low-lying structure in 43S. It allows to better understand the deviation of the spectroscopic quadrupole moment value of the isomer state from the limit case of a pure spherical state. (author)

  18. Systematic theoretical investigation for adsorption behavior of Al and N atoms on 4H-SiC (112-bar 0) surfaces

    International Nuclear Information System (INIS)

    We systematically investigate adsorption behavior of Al and N atoms on 4H-SiC (112-bar 0) surfaces based on first-principles calculations. The calculations for stable adsorption site demonstrate that the Al atom is adsorbed at the lattice site of 4H structure whereas the N atom is incorporated at the interstitial site. The calculated surface phase diagrams for Al and N atoms as functions of beam equivalent pressure and temperature clarify that Al atoms can be adsorbed at all of the adsorption sites below 1800 K and N atoms, in contrast, are desorbed excepting the most stable site above 1150 K. These temperatures imply that under experimental conditions (1223 K) Al atoms can be easily adsorbed and N atoms are adsorbed only on the most stable adsorption site. Furthermore, the calculated barrier heights of adsorbed Al and N atoms are 1.0 and 1.8 eV, respectively, implying that the surface migration of Al atoms is prominent compared to that of N atoms. These results obtained thus manifest that adsorption behavior of Al and N atoms is quite different and the growth processes change depending on V/III ratio under molecular beam epitaxy growth.

  19. Electrochemical removal of hydrogen atoms in Mg-doped GaN epitaxial layers

    International Nuclear Information System (INIS)

    Hydrogen atoms inside of an Mg-doped GaN epitaxial layer were effectively removed by the electrochemical potentiostatic activation (EPA) method. The role of hydrogen was investigated in terms of the device performance of light-emitting diodes (LEDs). The effect of the main process parameters for EPA such as solution type, voltage, and time was studied and optimized for application to LED fabrication. In optimized conditions, the light output of 385-nm LEDs was improved by about 26% at 30 mA, which was caused by the reduction of the hydrogen concentration by ∼35%. Further removal of hydrogen seems to be involved in the breaking of Ga-H bonds that passivate the nitrogen vacancies. An EPA process with high voltage breaks not only Mg-H bonds that generate hole carriers but also Ga-H bonds that generate electron carriers, thus causing compensation that impedes the practical increase of hole concentration, regardless of the drastic removal of hydrogen atoms. A decrease in hydrogen concentration affects the current-voltage characteristics, reducing the reverse current by about one order and altering the forward current behavior in the low voltage region

  20. Electrochemical removal of hydrogen atoms in Mg-doped GaN epitaxial layers

    Energy Technology Data Exchange (ETDEWEB)

    Lee, June Key, E-mail: junekey@jnu.ac.kr, E-mail: hskim7@jbnu.ac.kr; Hyeon, Gil Yong; Tawfik, Wael Z.; Choi, Hee Seok [Department of Materials Science and Engineering, and Optoelectronics Convergence Research Center, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Ryu, Sang-Wan [Department of Physics and Optoelectronics Convergence Research Center, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Jeong, Tak [Korea Photonics Technology Institute, Gwangju 500-460 (Korea, Republic of); Jung, Eunjin; Kim, Hyunsoo, E-mail: junekey@jnu.ac.kr, E-mail: hskim7@jbnu.ac.kr [School of Semiconductor and Chemical Engineering, Semiconductor Physics Research Center, Chonbuk National University, Jeonju 561-756 (Korea, Republic of)

    2015-05-14

    Hydrogen atoms inside of an Mg-doped GaN epitaxial layer were effectively removed by the electrochemical potentiostatic activation (EPA) method. The role of hydrogen was investigated in terms of the device performance of light-emitting diodes (LEDs). The effect of the main process parameters for EPA such as solution type, voltage, and time was studied and optimized for application to LED fabrication. In optimized conditions, the light output of 385-nm LEDs was improved by about 26% at 30 mA, which was caused by the reduction of the hydrogen concentration by ∼35%. Further removal of hydrogen seems to be involved in the breaking of Ga-H bonds that passivate the nitrogen vacancies. An EPA process with high voltage breaks not only Mg-H bonds that generate hole carriers but also Ga-H bonds that generate electron carriers, thus causing compensation that impedes the practical increase of hole concentration, regardless of the drastic removal of hydrogen atoms. A decrease in hydrogen concentration affects the current-voltage characteristics, reducing the reverse current by about one order and altering the forward current behavior in the low voltage region.

  1. Correspondences between the Classical Electrostatic Thomson Problem and Atomic Electronic Structure

    CERN Document Server

    LaFave, Tim

    2014-01-01

    Correspondences between the Thomson Problem and atomic electron shell-filling patterns are observed as systematic non-uniformities in the distribution of potential energy necessary to change configurations of $N\\le 100$ electrons into discrete geometries of neighboring $N-1$ systems. These non-uniformities yield electron energy pairs, intra-subshell pattern similarities with empirical ionization energy, and a salient pattern that coincides with size-normalized empirical ionization energies. Spatial symmetry limitations on discrete charges constrained to a spherical volume are conjectured as underlying physical mechanisms responsible for shell-filling patterns in atomic electronic structure and the Periodic Law.

  2. Monodisperse Pt atoms anchored on N-doped graphene as efficient catalysts for CO oxidation: A first-principles investigation

    KAUST Repository

    Liu, Xin

    2015-01-01

    We performed first-principles based calculations to investigate the electronic structure and the potential catalytic performance of Pt atoms monodispersed on N-doped graphene in CO oxidation. We showed that N-doping can introduce localized defect states in the vicinity of the Fermi level of graphene which will effectively stabilize the deposited Pt atoms. The binding energy of a single Pt atom onto a stable cluster of 3 pyridinic N (PtN3) is up to -4.47 eV, making the diffusion and aggregation of anchored Pt atoms difficult. Both the reaction thermodynamics and kinetics suggest that CO oxidation over PtN3 would proceed through the Langmuir-Hinshelwood mechanism. The reaction barriers for the formation and dissociation of the peroxide-like intermediate are determined to be as low as 0.01 and 0.08 eV, respectively, while that for the regeneration is only 0.15 eV, proving the potential high catalytic performance of PtN3 in CO oxidation, especially at low temperatures. The Pt-d states that are up-shifted by the Pt-N interaction account for the enhanced activation of O2 and the efficient formation and dissociation of the peroxide-like intermediate.

  3. Kinetic analysis of interstitial atomic hydrogen in a-Si:(H,O,N) and beryllia

    International Nuclear Information System (INIS)

    A method for interpreting thermal decay of interstitial atomic hydrogen Hoi produced by irradiation in a-Si: (H,O,N) and in beryllia was developed. The hypothesis of Hoi were produced from RH type molecules by irradiation effect and trapped in the interstitials of studied elements was considered. The hypothesis of the heating causes the disarming of Hoi, and can be retrapped, recombine with R matrices or react between themselves to form the H2 molecules. The kinetic equations were arranged by a schematic method for each proposed reaction. These equations were solved numerically by RungeKutta method. The adjust parameters show that the Hoi + Hoi -> H2 occurs only for beryllia, because the kinetic occurs at higher temperatures. All the parameters were adjusted to Arrhenius law, allowing to determine the activation energies for each process. (M.C.K.)

  4. Atomic-Resolution Structure of an N(5) Flavin Adduct in D-Arginine Dehydrogenase

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Guoxing; Yuan, Hongling; Wang, Siming; Gadda, Giovanni; Weber, Irene T. (GSU)

    2011-09-06

    D-Arginine dehydrogenase (DADH) catalyzes the flavin-dependent oxidative deamination of D-arginine and other D-amino acids to the corresponding imino acids. The 1.07 {angstrom} atomic-resolution structure of DADH crystallized with D-leucine unexpectedly revealed a covalent N(5) flavin adduct, instead of the expected iminoleucine product in the active site. This acyl adduct has been successfully reproduced by photoreduction of DADH in the presence of 4-methyl-2-oxopentanoic acid (ketoleucine). The iminoleucine may be released readily because of weak interactions in the binding site, in contrast to iminoarginine, converted to ketoleucine, which reacts with activated FAD to form the covalently linked acyl adduct.

  5. Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase.

    Science.gov (United States)

    Fu, Guoxing; Yuan, Hongling; Wang, Siming; Gadda, Giovanni; Weber, Irene T

    2011-07-26

    D-Arginine dehydrogenase (DADH) catalyzes the flavin-dependent oxidative deamination of D-arginine and other D-amino acids to the corresponding imino acids. The 1.07 Å atomic-resolution structure of DADH crystallized with D-leucine unexpectedly revealed a covalent N(5) flavin adduct, instead of the expected iminoleucine product in the active site. This acyl adduct has been successfully reproduced by photoreduction of DADH in the presence of 4-methyl-2-oxopentanoic acid (ketoleucine). The iminoleucine may be released readily because of weak interactions in the binding site, in contrast to iminoarginine, converted to ketoleucine, which reacts with activated FAD to form the covalently linked acyl adduct. PMID:21707047

  6. Atomic structure of defects in GaN:Mg grown with Ga polarity

    International Nuclear Information System (INIS)

    Electron microscope phase images, produced by direct reconstruction of the scattered electron wave from a focal series of high-resolution images, were used to determine the nature of defects formed in GaN:Mg crystals. We studied bulk crystals grown from dilute solutions of atomic nitrogen in liquid gallium at high pressure and thin films grown by the MOCVD method. All the crystals were grown with Ga-polarity. In both types of samples the majority of defects were three dimensional Mg-rich hexagonal pyramids with bases on the (0001) plane and six walls on {11(und 2)3} planes seen in cross-section as triangulars. Some other defects appear in cross-section as trapezoidal (rectangular) defects as a result of presence of truncated pyramids. Both type of defects have hollow centers. They are decorated by Mg on all six side walls and a base. The GaN which grows inside on the defect walls shows polarity inversion. It is shown that change of polarity starts from the defect tip and propagates to the base, and that the stacking sequence changes from ab in the matrix to bc inside the defect. Exchange of the Ga sublattice with the N sublattice within the defect leads to 0.6 ± 0.2(angstrom) displacement between Ga sublattices outside and inside the defects. It is proposed that lateral overgrowth of the cavities formed within the defect takes place to restore matrix polarity on the defect base

  7. Atomic core structure of 90°(c)-bent screw threading dislocations in wurtzite GaN

    Institute of Scientific and Technical Information of China (English)

    BELABBAS Imad; CHEN Jun; RUTERANA Pierre; YU Guanghui; NOUET Gérard

    2006-01-01

    The atomic and electronic structures of the c threading dislocations with an edge or screw character were compared using a tight binding formalism which takes into account charge transfer.The two dislocations do not exhibit dangling bonds.While the screw dislocation contains only constrained Ga-N bonds, the edge dislocation contains Ga-Ga and N-N wrong bonds.Both dislocations are found to induce shallow and deep gap states.

  8. High-Resolution Spectroscopy of K-shell Praseodymium with a High-Energy Calorimeter

    Energy Technology Data Exchange (ETDEWEB)

    Thorn, D B; Brown, G V; Clementson, J T; Chen, H; Chen, M H; Beiersdorfer, P; Boyce, K R; Kilbourne, C A; Porter, F S; Kelley, R L

    2007-06-05

    We present a measurement of the K-shell spectrum of He-like through Be-like praseodymium ions trapped in the Livermore SuperEBIT electron beam ion trap using a bismuth absorber pixel on the XRS/EBIT microcalorimeter. This measurement is the first of its kind where the n=2 to n=1 transitions of the various charge states are spectroscopically resolved. The measured transition energies are compared with theoretical calculations from several atomic codes.

  9. The effect of doped Pd atoms on the geometries and optical adsorption properties of Au cluster: Au32−nPdn (n = 1, 2, 4 and 6)

    International Nuclear Information System (INIS)

    The geometries and optical adsorption properties of Au32−nPdn (n = 1, 2, 4, 6) alloy clusters were investigated within the static and time-dependent density functional theory. Our results confirm that Pd atoms favor to replace the inner Au atoms rather than the surface Au atoms of the cluster, which agrees well with previous reports. The optical adsorption property of the Au32 cluster is significantly changed by the Pd doping. Our calculations show that the optical adsorption of Pd-doped alloy cluster in the visible light region is remarkably enhanced compared to the pure Au32 cluster, especially in the lower energy sections. The analysis of the electronic structures of Au26Pd6, Au32 and Pd32 were performed to reveal the roles of doped Pd atoms. It is found that the doped Pd atoms increase the density of state around the Fermi level of the alloy clusters, which causes the enhanced optical adsorption of the Au–Pd alloy cluster in the visible light region. - Highlights: • The optical adsorption property of Au–Pd alloy cluster were investigated by TDDFT calculations. • Pd atoms favor the inner site in the Au–Pd alloy cluster. • The orbitals of Pd atoms substantively involve the states around the Fermi level of the alloy cluster. • Pd doping can enhance the optical adsorption of Au cluster under the visible light

  10. The study of neutron-rich nuclei production in the region of the closed shell N=126 in the multi-nucleon transfer reaction 136Xe+208Pb

    Science.gov (United States)

    Novikov, K.; Harca, I. M.; Kozulin, E. M.; Dmitriev, S.; Itkis, J.; Knyazheva, G.; Loktev, T.; Corradi, L.; Valiente-Dobon, J.; Fioretto, E.; Montanari, D.; Stefanini, A. M.; Vardaci, E.; Quero, D.; Montagnoli, G.; Scarlassara, F.; Strano, E.; Pollarolo, G.; Piot, J.; Mijatović, T.; Szilner, S.; Ackermann, D.; Chubarian, G.; Trzaska, W. H.

    2016-04-01

    The unexplored area of heavy neutron rich nuclei is extremely important for nuclear astrophysics investigations and, in particular, for the understanding of the r-process of astrophysical nucleogenesis. For the production of heavy neutron rich nuclei located along the neutron closed shell N=126 (probably the last "waiting point" in the r-process of nucleosynthesis) the low-energy multi-nucleon transfer reaction 136Xe+208Pb at Elab=870MeV was explored. Due to the stabilizing effect of the closed neutron shells in both nuclei, N=82 and N=126, and the rather favorable proton transfer from lead to xenon, the light fragments formed in this process are well bound and the Q-value of the reaction is nearly zero. Measurements were performed with the PRISMA spectrometer in coincidence with an additional time-of-flight (ToF) arm on the +20 beam line of the PIAVE-ALPI accelerator in Legnaro, Italy. The PRISMA spectrometer allows identification of the A, Z and velocity of the projectile-like fragments (PLF), while the second arm gives access to the target-like fragments (TLF). Details on the experimental setup and preliminary results are reported.

  11. Influence of an external field on the decay of coherently excited n = 2 states of the hydrogen atom

    Energy Technology Data Exchange (ETDEWEB)

    Chwirot, S.; Legowski, S.; Zaremba, J.; Slevin, J.

    1989-05-14

    We analyse the validity of the approximation of neglecting the 2/sup 2/S/sub 1/2/-2/sup 2/P/sub 3/2/ coupling in the description of the fluorescence from the n = 2 states of hydrogen atoms decaying in the presence of an external electric field. The results show the inadequacy of such an approach and point to the need for a re-interpretation of some previously reported experimental values of the state multipoles of the collisionally excited n = 2 hydrogen atoms. (Author).

  12. Synthesis of nano-hydroxyapatite (nHA) from waste mussel shells using a rapid microwave method

    International Nuclear Information System (INIS)

    Nano-crystalline hydroxyapatite (HA, Ca10(PO4)6(OH)2) was produced from waste mussel shells using a rapid microwave irradiation method. Mussel shells were converted to rod like nano-crystalline HA particles of 30–70 nm long using 0.1 M EDTA as a chelating agent for 30 min after an appropriate pre-treatment and an irradiation step in a microwave with a power of 1.1 kW. The produced HA was characterised using X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), thermo gravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR) and inductively coupled plasma mass spectrometry (ICP-MS) to determine the morphology, particle size, crystal phases, elemental composition and thermal behaviour. Furthermore, to benchmark the synthesized HA obtained from mussel shells, it was compared with a commercially pure HA (Sigma–Aldrich). The thermal analysis showed that the synthesized HA has remarkable heat stability at 1000 °C, and the XRD and FTIR results showed a high purity of the synthesized HA powders. Compared to the conventional hydrothermal treatment, microwave-assisted method has the advantages of an increased rate of HA formation. The obtained HA have potential engineering applications as materials for bone-tissues. - Highlights: • Waste mussel shells were successfully converted to nano sized hydroxyapatite. • Microwave-assisted technique accelerated the conversion process. • The physicochemical properties of the produced hydroxyapatite are reported. • The prepared hydroxyapatite has nano sized particles of less than 100 nm

  13. Existence of solutions of dynamic contact problems for elastic von Kármán-Donnell shells

    Czech Academy of Sciences Publication Activity Database

    Bock, I.; Jarušek, Jiří

    Vol. 3. Boca Raton: CRC Press, 2014 - (Pietraszkiewicz, W.; Górski, J.), s. 65-68 ISBN 978-1-138-00082-7. [10th Jubilee Conference on Shell Structures: Theory and Applications, SSTA 2013. Gdansk (PL), 16.10.2013-18.10.2013] R&D Projects: GA ČR(CZ) GAP201/12/0671 Institutional support: RVO:67985840 Keywords : acceleration terms * dynamic contact problem * elastic materials Subject RIV: BA - General Mathematics

  14. Coulomb excitation $^{74}$Zn-$^{80}$Zn (N=50): probing the validity of shell-model descriptions around $^{78}$Ni

    CERN Multimedia

    A study of the evolution of the nuclear structure along the zinc isotopic chain close to the doubly magic nucleus $^{78}$Ni is proposed to probe recent shell-model calculations in this area of the nuclear chart. Excitation energies and connecting B(E2) values will be measured through multiple Coulomb excitation experiment with laser ionized purified beams of $^{74-80}$Zn from HIE ISOLDE. The current proposal request 30 shifts.

  15. Synthesis of nano-hydroxyapatite (nHA) from waste mussel shells using a rapid microwave method

    Energy Technology Data Exchange (ETDEWEB)

    Shavandi, Amin, E-mail: amin.shavandi@postgrad.otago.ac.nz [Department of Food Sciences, University of Otago, Dunedin (New Zealand); Bekhit, Alaa El-Din A. [Department of Food Sciences, University of Otago, Dunedin (New Zealand); Ali, Azam [Department of Applied Sciences, University of Otago, Dunedin (New Zealand); Sun, Zhifa [Department of Physics, University of Otago, Dunedin (New Zealand)

    2015-01-15

    Nano-crystalline hydroxyapatite (HA, Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}) was produced from waste mussel shells using a rapid microwave irradiation method. Mussel shells were converted to rod like nano-crystalline HA particles of 30–70 nm long using 0.1 M EDTA as a chelating agent for 30 min after an appropriate pre-treatment and an irradiation step in a microwave with a power of 1.1 kW. The produced HA was characterised using X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), thermo gravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR) and inductively coupled plasma mass spectrometry (ICP-MS) to determine the morphology, particle size, crystal phases, elemental composition and thermal behaviour. Furthermore, to benchmark the synthesized HA obtained from mussel shells, it was compared with a commercially pure HA (Sigma–Aldrich). The thermal analysis showed that the synthesized HA has remarkable heat stability at 1000 °C, and the XRD and FTIR results showed a high purity of the synthesized HA powders. Compared to the conventional hydrothermal treatment, microwave-assisted method has the advantages of an increased rate of HA formation. The obtained HA have potential engineering applications as materials for bone-tissues. - Highlights: • Waste mussel shells were successfully converted to nano sized hydroxyapatite. • Microwave-assisted technique accelerated the conversion process. • The physicochemical properties of the produced hydroxyapatite are reported. • The prepared hydroxyapatite has nano sized particles of less than 100 nm.

  16. Effect of Virtual Photon Exchange on the Interaction of Light Field with N Atoms

    Institute of Scientific and Technical Information of China (English)

    LIANG Mai-Lin; ZHAO Lin

    2003-01-01

    Under no rotating wave approximation and including the effect of dipole-dipole interaction between the atoms, exact squeezing properties for the output optical field and the atomic field are obtained. It is shown that an atom laser keeping squeezed all the time can be generated, though the input optical field is at the coherent state or vacuum state.

  17. Atomic arrangement and the formation of partially coherent interfaces in the Ti-V-N system

    International Nuclear Information System (INIS)

    The precipitation of (V,Ti) (bcc structure) in a (Ti,V)N (NaCl structure) matrix is considered in the current study. The lattice parameter ratio of this system, af/ab = 1.34, is quite different from most previous studies (af/ab ∼ 1.26) and provides an opportunity to test recent models proposed for the formation of precipitate morphology and the interface structure. Like many other fcc:bcc precipitation systems, the Ti-V-N system involves an invariant line transformation strain. In this system, the invariant line is associated with a high-index orientation relationship (OR). The observed OR is in good agreement with a predicted relationship based upon a geometric matching criterion proposed by Ryan et al. The Burgers vectors for the interfacial defects were determined directly by making high-resolution transmission electron microscope (HRTEM) observations along three different directions. The observations confirm that the formation of the precipitate facets, the spacings of misfit dislocations, and the direction of interfacial defects all agree with atom-matching considerations

  18. Surface structure and surface kinetics of InN grown by plasma-assisted atomic layer epitaxy: A HREELS study

    Energy Technology Data Exchange (ETDEWEB)

    Acharya, Ananta R., E-mail: aacharya@georgiasouthern.edu, E-mail: anantaach@gmail.com [Department of Physics, Georgia Southern University, Statesboro, Georgia 30460 (United States); Thoms, Brian D. [Department of Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303 (United States); Nepal, Neeraj [American Association for Engineering Education, 1818 N Street NW, Washington, DC 20034 (United States); Eddy, Charles R. [Electronics Science and Technology Division, U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375 (United States)

    2015-03-15

    The surface bonding configuration and kinetics of hydrogen desorption from InN grown by plasma-assisted atomic layer epitaxy have been investigated. High resolution electron energy loss spectra exhibited loss peaks assigned to a Fuchs–Kliewer surface phonon, N-N and N-H surface species. The surface N-N vibrations are attributed to surface defects. The observation of N-H but no In-H surface species suggested N-terminated InN. Isothermal desorption data were best fit by the first-order desorption kinetics with an activation energy of (0.88 ± 0.06) eV and pre-exponential factor of (1.5 ± 0.5) × 10{sup 5 }s{sup −1}.

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

    International Nuclear Information System (INIS)

    The pulsed Li atomic beam produced in our experiment is based on controlled transversely-excited-atmospheric CO2 laser-induced ablation of a Li metal target. The atomic beam is propagated in vacuum or in CO2 gas at low pressure. Atoms in the beam are probed by laser-induced fluorescence spectroscopy. This allows the determination of time-of-flight and velocity distributions. Li Rydberg states (n=5--13) are populated in the beam by two-step pulsed-laser excitation. The excited atoms interact with CO2 molecules. l- and n-changing cross sections are deduced from the time evolution of the resonant or collision-induced fluorescence following this selective excitation. l-changing cross sections of the order of 104 A2 are measured; they increase with n as opposed to the plateau observed for Li/sup */ colliding with a diatomic molecule. This behavior is qualitatively well explained in the framework of the free-electron model. n yields n' changing processes with large cross sections (10--100 A2) are also observed even in the case of large electronic energy change (ΔE/sub nn'/>103 cm/sup -1/). These results can be interpreted in terms of resonant-electronic to vibrational energy transfers between Li Rydberg states and CO2 vibrational modes

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

    Science.gov (United States)

    Dubreuil, B.; Harnafi, M.

    1989-07-01

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

  1. Successive change regularity of actinide properties with atomic number

    International Nuclear Information System (INIS)

    The development and achievements on chemistry of actinide elements are summarised. The relations of properties of actinides to their electronic configurations of valence electronic shells are discussed. Some anomalies of solid properties, the radius contraction, the stable state effect of f7n-orbits (n = 0, 1, 2) and the tetrad effect of oxidation states, etc., with atomic number (Z) are described. 31 figures appended show directly the successive change regularity of actinide properties with Z

  2. 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

  3. Magnetically driven anisotropic structural changes in the atomic laminate M n2GaC

    Science.gov (United States)

    Dahlqvist, M.; Ingason, A. S.; Alling, B.; Magnus, F.; Thore, A.; Petruhins, A.; Mockute, A.; Arnalds, U. B.; Sahlberg, M.; Hjörvarsson, B.; Abrikosov, I. A.; Rosen, J.

    2016-01-01

    Inherently layered magnetic materials, such as magnetic Mn +1A Xn (MAX) phases, offer an intriguing perspective for use in spintronics applications and as ideal model systems for fundamental studies of complex magnetic phenomena. The MAX phase composition Mn+1A Xn consists of Mn +1Xn blocks separated by atomically thin A -layers where M is a transition metal, A an A-group element, X refers to carbon and/or nitrogen, and n is typically 1, 2, or 3. Here, we show that the recently discovered magnetic M n2GaC MAX phase displays structural changes linked to the magnetic anisotropy, and a rich magnetic phase diagram which can be manipulated through temperature and magnetic field. Using first-principles calculations and Monte Carlo simulations, an essentially one-dimensional (1D) interlayer plethora of two-dimensioanl (2D) Mn-C-Mn trilayers with robust intralayer ferromagnetic spin coupling was revealed. The complex transitions between them were observed to induce magnetically driven anisotropic structural changes. The magnetic behavior as well as structural changes dependent on the temperature and applied magnetic field are explained by the large number of low energy, i.e., close to degenerate, collinear and noncollinear spin configurations that become accessible to the system with a change in volume. These results indicate that the magnetic state can be directly controlled by an applied pressure or through the introduction of stress and show promise for the use of M n2GaC MAX phases in future magnetoelectric and magnetocaloric applications.

  4. Spin-polarised edge states in atomic Mn chains supported on Cu2N/Cu (100).

    Science.gov (United States)

    Choi, Deung-Jang; Robles, Roberto; Gauyacq, Jean-Pierre; Rubio-Verdú, Carmen; Lorente, Nicolás; Ignacio Pascual, José

    2016-06-15

    Scanning tunnelling microscopy and density functional theory studies of manganese chains adsorbed on Cu2N/Cu (100) reveal an unsuspected electronic edge state at [Formula: see text] eV above the Fermi energy. This Tamm-like state is strongly localised to the terminal Mn atoms of the chain and fully spin polarised. However, no equivalence is found for occupied states, and the electronic structure at [Formula: see text]  -1 eV is mainly spin unpolarised due to the extended p-states of the N atoms that mediate the coupling between the Mn atoms in the chain. The spin polarisation of the edge state is affected by the antiferromagnetic ordering of the chains leading to non-trivial consequences. PMID:27158116

  5. Low temperature thin film transistors with hollow cathode plasma-assisted atomic layer deposition based GaN channels

    International Nuclear Information System (INIS)

    We report GaN thin film transistors (TFT) with a thermal budget below 250 °C. GaN thin films are grown at 200 °C by hollow cathode plasma-assisted atomic layer deposition (HCPA-ALD). HCPA-ALD-based GaN thin films are found to have a polycrystalline wurtzite structure with an average crystallite size of 9.3 nm. TFTs with bottom gate configuration are fabricated with HCPA-ALD grown GaN channel layers. Fabricated TFTs exhibit n-type field effect characteristics. N-channel GaN TFTs demonstrated on-to-off ratios (ION/IOFF) of 103 and sub-threshold swing of 3.3 V/decade. The entire TFT device fabrication process temperature is below 250 °C, which is the lowest process temperature reported for GaN based transistors, so far.

  6. The single-nucleon energies of closed shell nuclei, influenced by n(k,rho), in the framework of Hartree-Fock inspired-scheme and LOCV method

    CERN Document Server

    Mariji, Hodjat

    2016-01-01

    The nucleon single-particle energies (SPEs) of the selected closed shell nuclei; that is, 16O, 40Ca, and 56Ni, are obtained by using the diagonal matrix elements of two-body effective interaction, which generated through the lowest order constrained variational (LOCV) calculations for the symmetric nuclear matter with the AV18 phenomenological nucleon-nucleon potential. The SPEs at the major levels of nuclei are calculated by employing a Hartree-Fock inspired-scheme in the spherical harmonic oscillator basis. In the scheme, the correlation influences are taken into account by imposing the nucleon effective mass factor on the radial wave functions of the major levels. Replacing the density-dependent one-body momentum distribution functions of nucleons, n(k,rho), with the Heaviside functions, the role of n(k,rho) on the nucleon SPEs at the major levels of the selected closed shell nuclei, is investigated. The best fit of spin-orbit splitting is taken into account when correcting the major levels of the nuclei b...

  7. Atomically Thin Mesoporous Nanomesh of Graphitic C3N4 for High-Efficiency Photocatalytic Hydrogen Evolution.

    Science.gov (United States)

    Han, Qing; Wang, Bing; Gao, Jian; Cheng, Zhihua; Zhao, Yang; Zhang, Zhipan; Qu, Liangti

    2016-02-23

    Delamination of layer materials into two-dimensional single-atom sheets has induced exceptional physical properties, including large surface area, ultrahigh intrinsic carrier mobility, pronounced changes in the energy band structure, and other properties. Here, atomically thin mesoporous nanomesh of graphitic carbon nitride (g-C3N4) is fabricated by solvothermal exfoliation of mesoporous g-C3N4 bulk made from thermal polymerization of freeze-drying assembled Dicyandiamide nanostructure precursor. With the unique structural advantages for aligned energy levels, electron transfer, light harvesting, and the richly available reaction sites, the as-prepared monolayer of mesoporous g-C3N4 nanomesh exhibits a superior photocatalytic hydrogen evolution rate of 8510 μmol h(-1) g(-1) under λ > 420 nm and an apparent quantum efficiency of 5.1% at 420 nm, the highest of all the metal-free g-C3N4 nanosheets photocatalysts. PMID:26766237

  8. Growth and characterization of III-N ternary thin films by plasma assisted atomic layer epitaxy at low temperatures

    International Nuclear Information System (INIS)

    We report the growth and characterization of III-nitride ternary thin films (AlxGa1−xN, InxAl1−xN and InxGa1−xN) at ≤ 500 °C by plasma assisted atomic layer epitaxy (PA-ALE) over a wide stoichiometric range including the range where phase separation has been an issue for films grown by molecular beam epitaxy and metal organic chemical vapor deposition. The composition of these ternaries was intentionally varied through alterations in the cycle ratios of the III-nitride binary layers (AlN, GaN, and InN). By this digital alloy growth method, we are able to grow III-nitride ternaries by PA-ALE over nearly the entire stoichiometry range including in the spinodal decomposition region (x = 15–85%). These early efforts suggest great promise of PA-ALE at low temperatures for addressing miscibility gap challenges encountered with conventional growth methods and realizing high performance optoelectronic and electronic devices involving ternary/binary heterojunctions, which are not currently possible. - Highlights: • III-N ternaries grown at ≤ 500 °C by plasma assisted atomic layer epitaxy • Growth of InGaN and AlInN in the spinodal decomposition region (15–85%) • Epitaxial, smooth and uniform III-N film growth at low temperatures

  9. Growth and characterization of III-N ternary thin films by plasma assisted atomic layer epitaxy at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Nepal, Neeraj; Anderson, Virginia R.; Hite, Jennifer K.; Eddy, Charles R.

    2015-08-31

    We report the growth and characterization of III-nitride ternary thin films (Al{sub x}Ga{sub 1−x}N, In{sub x}Al{sub 1−x}N and In{sub x}Ga{sub 1−x}N) at ≤ 500 °C by plasma assisted atomic layer epitaxy (PA-ALE) over a wide stoichiometric range including the range where phase separation has been an issue for films grown by molecular beam epitaxy and metal organic chemical vapor deposition. The composition of these ternaries was intentionally varied through alterations in the cycle ratios of the III-nitride binary layers (AlN, GaN, and InN). By this digital alloy growth method, we are able to grow III-nitride ternaries by PA-ALE over nearly the entire stoichiometry range including in the spinodal decomposition region (x = 15–85%). These early efforts suggest great promise of PA-ALE at low temperatures for addressing miscibility gap challenges encountered with conventional growth methods and realizing high performance optoelectronic and electronic devices involving ternary/binary heterojunctions, which are not currently possible. - Highlights: • III-N ternaries grown at ≤ 500 °C by plasma assisted atomic layer epitaxy • Growth of InGaN and AlInN in the spinodal decomposition region (15–85%) • Epitaxial, smooth and uniform III-N film growth at low temperatures.

  10. Strontium clusters: electronic and geometry shell effects

    DEFF Research Database (Denmark)

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

    2008-01-01

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

  11. Nanoindentation and atomic force microscopy measurements on reactively sputtered TiN coatings

    Indian Academy of Sciences (India)

    Harish C Barshilia; K S Rajam

    2004-02-01

    Titanium nitride (TiN) coatings were deposited by d.c. reactive magnetron sputtering process. The films were deposited on silicon (111) substrates at various process conditions, e.g. substrate bias voltage (B) and nitrogen partial pressure. Mechanical properties of the coatings were investigated by a nanoindentation technique. Force vs displacement curves generated during loading and unloading of a Berkovich diamond indenter were used to determine the hardness () and Young’s modulus () of the films. Detailed investigations on the role of substrate bias and nitrogen partial pressure on the mechanical properties of the coatings are presented in this paper. Considerable improvement in the hardness was observed when negative bias voltage was increased from 100–250 V. Films deposited at |B| = 250 V exhibited hardness as high as 3300 kg/mm2. This increase in hardness has been attributed to ion bombardment during the deposition. The ion bombardment considerably affects the microstructure of the coatings. Atomic force microscopy (AFM) of the coatings revealed fine-grained morphology for the films prepared at higher substrate bias voltage. The hardness of the coatings was found to increase with a decrease in nitrogen partial pressure.

  12. Constructing and enhanced degradation rate of N-AZO/TiO2 core/shell nanocomposite by idiopathic molecular cladding process

    Science.gov (United States)

    Deng, Ya-Juan; Wang, Jian-Dong; Liu, Jin-Ku; Tong, Qin; Wang, Jiang-Jie; Yang, Xiao-Hong

    2015-07-01

    The N-AZO/TiO2 heterogeneous nanocomposite with core/shell structure revealed a better photocatalytic activity than the single N-AZO nanocrystals (NCs) even though it has a good photocatalytic effect. The recombination degree of photo-induced electrons and holes reduced significantly after molecular TiO2 layer composited on the surface of N-AZO NCs. From the experiment of degrading rhodamine B solution (2 × 10-5 g/L) under solar light, the optimum photocatalytic efficiency was the N-AZO/TiO2 composite prepared by idiopathic molecule-cladding (IMC) process and the best proportion of Zn/Ti was 2:1 in our research, which improved by 67% than pure N-AZO. Moreover, the N-AZO/TiO2 composite prepared by IMC process achieved a molecular combination level between the two components, which not only can improve the immobility of composite structure, but also can make the photogenerated electrons and holes transport easier.

  13. Atomic structure of the non-polar GaN(anti 2110) surface by cross-sectional scanning tunneling microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Krueger, David; Kuhr, Simon; Schmidt, Thomas; Hommel, Detlef; Falta, Jens [Institute of Solid State Physics, University of Bremen (Germany)

    2009-05-15

    The (anti 2110) plane of gallium nitride, exposed by cleaving a GaN single crystal under ultra-high vacuum conditions, has been atomically resolved for the first time, using cross-sectional scanning tunneling microscopy. The spatial period length supports a (1 x 1) unit mesh size, i.e., the absence of a reconstruction. The contrast observed in the experimental data is well explained by the atomic arrangement expected for a truncated-bulk structure. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. Ionization and excitation of Rydberg states in collisions of fast metastable helium atoms with He, Ne, and N2

    International Nuclear Information System (INIS)

    The experimental values of the cross sections of elementary collision processes involving neutral atoms and covering the energy range 01.-1,000 keV are of interest because they can be used to model some phenomena which occur under laboratory conditions and in outer space, and also to check the precision of various models and methods used in the theory of atomic collisions. The latter task is particularly important at moderate collision energies (usually below 100 keV) where the Born approximation for the cross sections of collisional processes gives results greatly at variance with the experimental data and the precision of the more complex theoretical methods being developed at present requires a careful experimental check. Here, the cross sections for ionization and excitation into Rydberg states (n = 21-27) were determined for fast (accelerated to 3.9 keV) metastable helium atoms colliding with He, Ne, and N2. An analysis of the collisionally excited helium atoms in terms of their principal quantum number was carried out using for the ionization by an electric field a system capable of separation in accordance with n and was calibrated using signals from Rydberg states excited selectively by laser radiation

  15. Plasma-Enhanced Atomic Layer Deposition of SiN-AlN Composites for Ultra Low Wet Etch Rates in Hydrofluoric Acid.

    Science.gov (United States)

    Kim, Yongmin; Provine, J; Walch, Stephen P; Park, Joonsuk; Phuthong, Witchukorn; Dadlani, Anup L; Kim, Hyo-Jin; Schindler, Peter; Kim, Kihyun; Prinz, Fritz B

    2016-07-13

    The continued scaling in transistors and memory elements has necessitated the development of atomic layer deposited (ALD) of hydrofluoric acid (HF) etch resistant and electrically insulating films for sidewall spacer processing. Silicon nitride (SiN) has been the prototypical material for this need and extensive work has been conducted into realizing sufficiently lower wet etch rates (WERs) as well as leakage currents to meet industry needs. In this work, we report on the development of plasma-enhanced atomic layer deposition (PEALD) composites of SiN and AlN to minimize WER and leakage current density. In particular, the role of aluminum and the optimum amount of Al contained in the composite structures have been explored. Films with near zero WER in dilute HF and leakage currents density similar to pure PEALD SiN films could be simultaneously realized through composites which incorporate ≥13 at. % Al, with a maximum thermal budget of 350 °C. PMID:27295338

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

    International Nuclear Information System (INIS)

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

  17. N:Si:P atomic ratio in the Santa Cruz Channel, Itamaracá-PE (Northeast Brazil: a nyctemeral variation

    Directory of Open Access Journals (Sweden)

    Montes Manuel de Jesús Flores

    2002-01-01

    Full Text Available Studies were carried out on the Inlets of Orange and Catuama at the Santa Cruz Channel, Itamaracá-PE, in the rainy and dry seasons, in a nyctemeral cycle, and in a transversal profile, with intervals of three hours between collections. The objective was to determine the spacial and temporal variation of the N:Si:P atomic ratio, and its possible inter-relations and dependencies, as well as the influence of the hydrodynamism provoked by the variation of the tides at different times of the year. Nitrite-N and nitrate-N were higher in the rainy season, while ammonia-N, phosphate-P and silicate-Si were higher in the dry season, which indicated different results than previous studies. The N:P atomic ratio was lower than 16:1, in all seasons and stations, being highest in the rainy season at Inlet Orange. The Si:P atomic ratio was always high. During the observed nyctemeral cycles, the main factors influencing the composition of the physical, chemical and biological parameters were the tide cycles and the meteorological parameters.

  18. Quantitative analysis of hydrogen in SiO2/SiN/SiO2 stacks using atom probe tomography

    Directory of Open Access Journals (Sweden)

    Yorinobu Kunimune

    2016-04-01

    Full Text Available We have demonstrated that it is possible to reproducibly quantify hydrogen concentration in the SiN layer of a SiO2/SiN/SiO2 (ONO stack structure using ultraviolet laser-assisted atom probe tomography (APT. The concentration of hydrogen atoms detected using APT increased gradually during the analysis, which could be explained by the effect of hydrogen adsorption from residual gas in the vacuum chamber onto the specimen surface. The amount of adsorbed hydrogen in the SiN layer was estimated by analyzing another SiN layer with an extremely low hydrogen concentration (<0.2 at. %. Thus, by subtracting the concentration of adsorbed hydrogen, the actual hydrogen concentration in the SiN layer was quantified as approximately 1.0 at. %. This result was consistent with that obtained by elastic recoil detection analysis (ERDA, which confirmed the accuracy of the APT quantification. The present results indicate that APT enables the imaging of the three-dimensional distribution of hydrogen atoms in actual devices at a sub-nanometer scale.

  19. Effect of Pretreatment of TaN Substrates on Atomic Layer Deposition Growth of Ru Thin Films

    Institute of Scientific and Technical Information of China (English)

    ZHOU Mi; CHEN Tao; TAN Jing-Jing; RU Guo-Ping; JIANG Yu-Long; LIU Ran; QU Xin-Ping

    2007-01-01

    The polycrystalline ruthenium films are grown on TaN substrates by atomic layer deposition (ALD) using bis(cyclopentadienyl) ruthenium [RuCp2] and oxygen as ruthenium precursor and reactant respectively at a deposition temperature of 330℃. The low-energy Ar ion bombardment and Ru pre-deposition are performed to the underlying TaN substrates before ALD process in order to improve the Ru nucleation. X-ray diffraction,X-ray photoelectron spectroscopy, canning electron microscopy and atomic force microscopy are carried out to characterize the properties of ALD Ru films.The results show that the nucleation density of Ru films with Ar+ bombardment to the underlying TaN substrates is much higher than that of the ones without any pretreatment. The possible reasons are discussed.

  20. Complementarity relation between the U(p,q) and U(n) Lie groups and some applications to atomic physics

    International Nuclear Information System (INIS)

    The complementarity relation between the unitary groups U(d) and U(n) within the symmetrical irreducible representations of the larger unitary group U(dn) is extended to non-compact groups. It is proved that the pseudo-unitary group U(p,q) is complementary with respect to U(n) within some positive discrete series irreducible representations of the larger pseudo-unitary group U(pn, qn). Some applications of the U(p,q)-U(n) complementarity to atomic physics are outlined. The mathematical framework underlying the Kibler-Negadi approach of the hydrogen atom dynamical group is extended to the independent-electron dynamical group of intrashell many-electron states, as well as to the correlated electron dynamical group of intrashell doubly excited states. (author)

  1. In situ plasma enhanced atomic layer deposition half cycle study of Al2O3 on AlGaN/GaN high electron mobility transistors

    International Nuclear Information System (INIS)

    A half cycle study of plasma enhanced atomic layer deposited (PEALD) Al2O3 on AlGaN is investigated using in situ X-ray photoelectron spectroscopy, low energy ion scattering, and ex situ electrical characterizations. A faster nucleation or growth is detected from PEALD relative to purely thermal ALD using an H2O precursor. The remote O2 plasma oxidizes the AlGaN surface slightly at the initial stage, which passivates the surface and reduces the OFF-state leakage. This work demonstrates that PEALD is a useful strategy for Al2O3 growth on AlGaN/GaN devices

  2. Poly(N-isopropylacrylamide)-gated Fe3O4/SiO2 core shell nanoparticles with expanded mesoporous structures for the temperature triggered release of lysozyme.

    Science.gov (United States)

    Yu, Erick; Galiana, Irene; Martínez-Máñez, Ramón; Stroeve, Pieter; Marcos, María D; Aznar, Elena; Sancenón, Félix; Murguía, José R; Amorós, Pedro

    2015-11-01

    Core-shell nanoparticles comprised of Fe3O4 cores and a mesoporous silica shell with an average expanded pore size of 6.07 nm and coated with a poly(N-isopropylacrylamide) (PNIPAM) layer (CS-MSNs-EP-PNIPAM) were prepared and characterized. The nanoparticles was loaded with (Ru(bipy)3(2+)) dye or an antibacterial enzyme, lysozyme, to obtain CS-MSNs-EP-PNIPAM-Ru(bipy)3(2+) and CS-MSNs-EP-PNIPAM-Lys, respectively. The lysozyme loading was determined to be 160 mg/g of nanoparticle. It was seen that Ru(bipy)3(2+) and lysozyme release was minimal at a room temperature of 25 °C while at physiological temperature (37 °C), abrupt release was observed. The applicability of the CS-MSNs-EP-PNIPAM-Lys was further tested with two Gram-positive bacteria samples, Bacillus cereus and Micrococcus luteus. At physiological temperature, the nanoparticles were shown to reduce bacterial growth, indicating a successful release of lysozyme from the nanoparticles. This nanoparticle system shows potential as a nanocarrier for the loading of similarly sized proteins or other species as a drug delivery platform. PMID:26335056

  3. $Sp(2n,\\mathbb{R})$ electric-magnetic duality as {\\em off-shell} symmetry of interacting electromagnetic and scalar fields

    CERN Document Server

    Bunster, Claudio

    2011-01-01

    It was established long ago that $SO(2)$ electric-magnetic duality is an {\\em off-shell} symmetry of the free Maxwell theory, i.e., that it leaves invariant the action and not just the equations of motion. We review here that analysis and extend it to the Maxwell field coupled to scalar fields defined on the $SL(2,\\mathbb{R})/SO(2)$ coset space, showing that $SL(2,\\mathbb{R})$ is in that case an {\\em off-shell} symmetry. We also show how the result can be generalized to many Maxwell fields and $Sp(2n, \\mathbb{R})$ duality symmetry - or a subgroup of it, recovering in particular the case of maximal supergravity in four dimensions with $E_{7,7}$ symmetry. We finally indicate further possible extensions to twisted self-duality equations for $p$-forms, including Chern-Simons terms and Pauli couplings, as well as linearized gravity, which will be treated in depth elsewhere.

  4. Effectiveness: N(sub TU) relationships for the design and performance evaluation of additional shell-and-tube heat exchanger geometries

    Science.gov (United States)

    1988-11-01

    This Data Item 88021, an addition to the Sub-series on Heat Transfer, complements ESDU 86018 by extending the range of configurations covered there and in particular considering the effect of using small numbers of baffles for E- and J-shells and the use of J-shells in series. It also explores the limitations of the assumptions associated with the effectiveness - N(sub TU) method and shows where those assumptions break down. The curves presented for each exchanger geometry show the locus of designs for which a temperature cross may occur and the locus of 95 percent heat transfer effectiveness which indicates the region of uneconomic design. The method assumes a linear temperature/enthalpy relationship (constant specific heat capacity) for both streams. It applies to boiling or condensing flow of a single component with no temperature change, or boiling and condensing flow of a mixture that is always two-phase. It excludes conditions in which transition from single- to two-phase flow occurs. However, by use of average property values, it is possible to extend the method to apply to cases where there is some variation of physical and thermodynamic properties with temperature.

  5. Shell corrections in stopping powers

    Science.gov (United States)

    Bichsel, H.

    2002-05-01

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

  6. Self-catalyzed growth of dilute nitride GaAs/GaAsSbN/GaAs core-shell nanowires by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Bandgap tuning up to 1.3 μm in GaAsSb based nanowires by incorporation of dilute amount of N is reported. Highly vertical GaAs/GaAsSbN/GaAs core-shell configured nanowires were grown for different N contents on Si (111) substrates using plasma assisted molecular beam epitaxy. X-ray diffraction analysis revealed close lattice matching of GaAsSbN with GaAs. Micro-photoluminescence (μ-PL) revealed red shift as well as broadening of the spectra attesting to N incorporation in the nanowires. Replication of the 4K PL spectra for several different single nanowires compared to the corresponding nanowire array suggests good compositional homogeneity amongst the nanowires. A large red shift of the Raman spectrum and associated symmetric line shape in these nanowires have been attributed to phonon localization at point defects. Transmission electron microscopy reveals the dominance of stacking faults and twins in these nanowires. The lower strain present in these dilute nitride nanowires, as opposed to GaAsSb nanowires having the same PL emission wavelength, and the observation of room temperature PL demonstrate the advantage of the dilute nitride system offers in the nanowire configuration, providing a pathway for realizing nanoscale optoelectronic devices in the telecommunication wavelength region

  7. Self-catalyzed growth of dilute nitride GaAs/GaAsSbN/GaAs core-shell nanowires by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Kasanaboina, Pavan Kumar [Department of Electrical and Computer Engineering, North Carolina A& T State University, Greensboro, North Carolina 27411 (United States); Ahmad, Estiak [Nanoengineering, Joint School of Nanoscience and Nanoengineering, NCA& T State University, Greensboro, North Carolina 27401 (United States); Li, Jia; Iyer, Shanthi [Department of Electrical and Computer Engineering, North Carolina A& T State University, Greensboro, North Carolina 27411 (United States); Nanoengineering, Joint School of Nanoscience and Nanoengineering, NCA& T State University, Greensboro, North Carolina 27401 (United States); Reynolds, C. Lewis; Liu, Yang [Department of Materials Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2015-09-07

    Bandgap tuning up to 1.3 μm in GaAsSb based nanowires by incorporation of dilute amount of N is reported. Highly vertical GaAs/GaAsSbN/GaAs core-shell configured nanowires were grown for different N contents on Si (111) substrates using plasma assisted molecular beam epitaxy. X-ray diffraction analysis revealed close lattice matching of GaAsSbN with GaAs. Micro-photoluminescence (μ-PL) revealed red shift as well as broadening of the spectra attesting to N incorporation in the nanowires. Replication of the 4K PL spectra for several different single nanowires compared to the corresponding nanowire array suggests good compositional homogeneity amongst the nanowires. A large red shift of the Raman spectrum and associated symmetric line shape in these nanowires have been attributed to phonon localization at point defects. Transmission electron microscopy reveals the dominance of stacking faults and twins in these nanowires. The lower strain present in these dilute nitride nanowires, as opposed to GaAsSb nanowires having the same PL emission wavelength, and the observation of room temperature PL demonstrate the advantage of the dilute nitride system offers in the nanowire configuration, providing a pathway for realizing nanoscale optoelectronic devices in the telecommunication wavelength region.

  8. Fast generation of N-atom Greenberger-Horne-Zeilinger state in separate coupled cavities via transitionless quantum driving

    Science.gov (United States)

    Shan, Wu-Jiang; Xia, Yan; Chen, Ye-Hong; Song, Jie

    2016-06-01

    By jointly using quantum Zeno dynamics and the approach of "transitionless quantum driving (TQD)" proposed by Berry to construct shortcuts to adiabatic passage, we propose an efficient scheme to fast generate multiatom Greenberger-Horne-Zeilinger (GHZ) state in separate cavities connected by optical fibers only by one-step manipulation. We first detail the generation of the three-atom GHZ state via TQD; then, we compare the proposed TQD scheme with the traditional ones with adiabatic passage. At last, the influence of various decoherence factors, such as spontaneous emission, cavity decay and fiber photon leakage, is discussed by numerical simulations. All of the results show that the present TQD scheme is fast and insensitive to atomic spontaneous emission and fiber photon leakage. Furthermore, the scheme can be directly generalized to realize N-atom GHZ state generation by the same principle in theory.

  9. Dehydrogenation of N{sub 2}H{sub X} (X = 2 − 4) by nitrogen atoms: Thermochemical and kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Spada, Rene Felipe Keidel; Araujo Ferrão, Luiz Fernando de [Departamento de Química, Instituto Tecnológico de Aeronáutica, São José dos Campos 12.228-900, São Paulo (Brazil); Departamento de Física, Instituto Tecnológico de Aeronáutica, São José dos Campos 12.228-900, São Paulo (Brazil); Roberto-Neto, Orlando [Divisão de Aerotermodinâmica e Hipersônica, Instituto de Estudos Avançados, São José dos Campos 12.229-840, São Paulo (Brazil); Machado, Francisco Bolivar Correto, E-mail: fmachado@ita.br [Departamento de Química, Instituto Tecnológico de Aeronáutica, São José dos Campos 12.228-900, São Paulo (Brazil)

    2013-11-21

    Thermochemical and kinetics of sequential hydrogen abstraction reactions from hydrazine by nitrogen atoms were studied. The dehydrogenation was divided in three steps, N{sub 2}H{sub 4} + N, N{sub 2}H{sub 3} + N, and N{sub 2}H{sub 2} + N. The thermal rate constants were calculated within the framework of canonical variational theory, with zero and small curvature multidimensional tunnelling corrections. The reaction paths were computed with the BB1K/aug-cc-pVTZ method and the thermochemical properties were improved with the CCSD(T)/CBS//BB1K/aug-cc-pVTZ approach. The first dehydrogenation step presents the lowest rate constants, equal to 1.22 × 10{sup −20} cm{sup 3} molecule{sup −1} s{sup −1} at 298 K.

  10. Electronic and optical device applications of hollow cathode plasma assisted atomic layer deposition based GaN thin films

    International Nuclear Information System (INIS)

    Electronic and optoelectronic devices, namely, thin film transistors (TFTs) and metal–semiconductor–metal (MSM) photodetectors, based on GaN films grown by hollow cathode plasma-assisted atomic layer deposition (PA-ALD) are demonstrated. Resistivity of GaN thin films and metal-GaN contact resistance are investigated as a function of annealing temperature. Effect of the plasma gas and postmetallization annealing on the performances of the TFTs as well as the effect of the annealing on the performance of MSM photodetectors are studied. Dark current to voltage and responsivity behavior of MSM devices are investigated as well. TFTs with the N2/H2 PA-ALD based GaN channels are observed to have improved stability and transfer characteristics with respect to NH3 PA-ALD based transistors. Dark current of the MSM photodetectors is suppressed strongly after high-temperature annealing in N2:H2 ambient

  11. Impacts of Thermal Atomic Layer-Deposited AlN Passivation Layer on GaN-on-Si High Electron Mobility Transistors.

    Science.gov (United States)

    Zhao, Sheng-Xun; Liu, Xiao-Yong; Zhang, Lin-Qing; Huang, Hong-Fan; Shi, Jin-Shan; Wang, Peng-Fei

    2016-12-01

    Thermal atomic layer deposition (ALD)-grown AlN passivation layer is applied on AlGaN/GaN-on-Si HEMT, and the impacts on drive current and leakage current are investigated. The thermal ALD-grown 30-nm amorphous AlN results in a suppressed off-state leakage; however, its drive current is unchanged. It was also observed by nano-beam diffraction method that thermal ALD-amorphous AlN layer barely enhanced the polarization. On the other hand, the plasma-enhanced chemical vapor deposition (PECVD)-deposited SiN layer enhanced the polarization and resulted in an improved drive current. The capacitance-voltage (C-V) measurement also indicates that thermal ALD passivation results in a better interface quality compared with the SiN passivation. PMID:26964559

  12. Isomerization and fragmentation of acetonitrile upon interaction with N(4S) atoms: the chemistry of nitrogen in dense molecular clouds

    Science.gov (United States)

    Mencos, Alejandro; Krim, Lahouari

    2016-08-01

    We experimentally show that the reaction between ground state nitrogen atoms N(4S) and acetonitrile CH3CN can lead to two distinct chemical pathways that are both thermally activated at very low temperatures. First is CH3CN isomerization which produces CH3NC and H2CCNH. Second is CH3CN decomposition which produces HNC and CH3CNH+CN- fragments, with the possible release of H2. Our results reveal that the mobility of N(4S)-atoms is stimulated in the 3-11 K temperature range, and that its subsequent encounter with one acetonitrile molecule is sufficient for the aforementioned reactions to occur without the need for additional energy to be supplied to the CH3CN + N(4S) system. These findings shed more light on the nitrogen chemistry that can possibly take place in dense molecular clouds, which until now was thought to only involve high-energy processes and therefore be unlikely to occur in such cold and dark interstellar regions. The reaction pathways we propose in this study have very important astrochemical implications, as it was shown recently that the atomic nitrogen might be more abundant, in many interstellar icy grain mantles, than previously thought. Also, these reaction pathways can now be considered within dense molecular clouds, and possibly affect the branching ratios for N-bearing molecules computed in astrochemical modelling.

  13. Inner-shell ionization and biological radiations effects

    International Nuclear Information System (INIS)

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

  14. On the difficulty of N({sup 4}S) atom recombination to explain the appearance of the pink afterglow in a N{sub 2} flowing discharge

    Energy Technology Data Exchange (ETDEWEB)

    Loureiro, J [Centro de Fisica dos Plasmas, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal); Sa, P A [Centro de Fisica dos Plasmas, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal); Departamento de Fisica, Faculdade de Engenharia, Universidade do Porto, 4200-465 Porto (Portugal); Guerra, V [Centro de Fisica dos Plasmas, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)

    2006-01-07

    The possibility that the pink afterglow (PA) of a flowing nitrogen discharge occurs as a result of recombination of N({sup 4}S) atoms is evaluated and discussed, based on a detailed kinetic model for a microwave discharge and post-discharge. The present simulation shows that the N{sub 2}{sup +}(B{sup 2}{sigma}{sub u}{sup +},v) states responsible for the emission of the PA cannot be created via an indirect mechanism initiated with atomic recombination. Alternatively, it is indicated that the PA may have its origin in non-resonant vibration-vibration energy-exchange processes between N{sub 2}(X{sup 1}{sigma}{sub g}{sup +},v) molecules, which lead to an overpopulation of high levels of the vibrational manifold.

  15. Drug release behavior of a pH/temperature sensitive calcium alginate/poly(N-acryloylglycine bead with core-shelled structure

    Directory of Open Access Journals (Sweden)

    2010-12-01

    Full Text Available In this study, a novel pH/temperature sensitive hydrogel bead with core-shelled structure, composed of calcium alginate (Ca-alginate and poly((N-acryloylglycine (PAG, was prepared using as a drug delivery system. The equilibrium swelling has indicated the distinct sensitivities of the beads to pH value and temperature. In pH = 7.4 phosphate buffer solution (PBS, the cumulative release amount of indomethacin loaded in the core of the beads was about 83.5% within 650 min, whereas this value only reached 16.6% in pH = 2.1 PBS. In addition, the release rate of indomethacin was much faster at 37°C than that at 24°C. The experimental results have showed that the Ca-alginate/PAG beads have a potential application for the pH/temperature-controlled drug release carrier in the biomedical field.

  16. 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...

  17. On the evaluation of determinantal wave functions in open-shell Hartree-Fock theory

    OpenAIRE

    Guseinov, I. I.; DEMİR, Ramazan

    2001-01-01

    Slater method is modified for the evaluation of determinantal wave functions appearing in open-shell Hartree-Fock (HF) theory [1]. Using modified Slater method we have calculated, as an example, the orbital energies and the wave functions of terms obtained from the electronic configuration of a ground state of an N-atom system in the Hartree-Fock-Roothaan (HFR) approximation. The modified determinantal method introduced in this paper can be of considerable help and importance in the ...

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

    Institute of Scientific and Technical Information of China (English)

    李勇; 李惠琪; 夏洋; 刘邦武

    2013-01-01

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

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

    International Nuclear Information System (INIS)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-01-05

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-09-15

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

  2. Bipolar resistive switching properties of AlN films deposited by plasma-enhanced atomic layer deposition

    International Nuclear Information System (INIS)

    Highlights: • AlN films were grown by plasma-enhanced atomic layer deposition. • Bipolar resistive switching properties were observed in Cu/PEALD-AlN/Pt devices. • The properties are induced upon the formation/disruption of Cu conducting filaments. • PEALD-AlN films have a great potential for the applications in 3D ReRAM. - Abstract: AlN thin films deposited by plasma-enhanced atomic layer deposition (PEALD) have been used to investigate the resistive switching (RS) behavior. The bipolar RS properties were observed in the Cu/PEALD-AlN/Pt devices, which are induced upon the formation/disruption of Cu conducting filaments, as confirmed by the temperature dependent resistances relationships at different resistance states. The resistance ratio of the high and low resistance states (HRS/LRS) is 102–105. The dominant conduction mechanisms at HRS and LRS are trap-controlled space charge limited current and Ohmic behavior, respectively. This study demonstrated that the PEALD-AlN films have a great potential for the applications in high-density resistance random access memory

  3. First principle study of magnetic and electronic properties of single X (X = Al, Si) atom added to small carbon clusters (C n X, n = 2-10)

    Science.gov (United States)

    Afshar, M.; Hoseini, S. S.; Sargolzaei, M.

    2016-07-01

    In this paper, the magnetic and electronic properties of single aluminum and silicon atom added to small carbon clusters (C n X; X = Al, Si; n = 2-10) are studied in the framework of generalized-gradient approximation using density functional theory. The calculations were performed for linear, two dimensional and three dimensional clusters based on full-potential local-orbital (FPLO) method. The total energies, HOMO-LUMO energy gap and total magnetic moments of the most stable structures are presented in this work. The calculations show that C n Si clusters have more stability compared to C n Al clusters. In addition, our magnetic calculations were shown that the C n Al isomers are magnetic objects whereas C n Si clusters are nonmagnetic objects.

  4. Phases of one-dimensional SU(N) cold atomic Fermi gases-From molecular Luttinger liquids to topological phases

    Science.gov (United States)

    Capponi, S.; Lecheminant, P.; Totsuka, K.

    2016-04-01

    Alkaline-earth and ytterbium cold atomic gases make it possible to simulate SU(N)-symmetric fermionic systems in a very controlled fashion. Such a high symmetry is expected to give rise to a variety of novel phenomena ranging from molecular Luttinger liquids to (symmetry-protected) topological phases. We review some of the phases that can be stabilized in a one dimensional lattice. The physics of this multi-component Fermi gas turns out to be much richer and more exotic than in the standard SU(2) case. For N > 2, the phase diagram is quite rich already in the case of the single-band model, including a molecular Luttinger liquid (with dominant superfluid instability in the N-particle channel) for incommensurate fillings, as well as various Mott-insulating phases occurring at commensurate fillings. Particular attention will be paid to the cases with additional orbital degree of freedom (which is accessible experimentally either by taking into account two atomic states or by putting atoms in the p-band levels). We introduce two microscopic models which are relevant for these cases and discuss their symmetries and strong coupling limits. More intriguing phase diagrams are then presented including, for instance, symmetry protected topological phases characterized by non-trivial edge states.

  5. Gömülmüs Atom Potansiyeli Kullanarak CuNi Alasımının Moleküler Dinamik Simulasyonu

    Directory of Open Access Journals (Sweden)

    Eşe Ergün AKPINAR

    2009-04-01

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

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

    Science.gov (United States)

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

    2015-08-12

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

  7. Wafer-Size and Single-Crystal MoSe2 Atomically Thin Films Grown on GaN Substrate for Light Emission and Harvesting.

    Science.gov (United States)

    Chen, Zuxin; Liu, Huiqiang; Chen, Xuechen; Chu, Guang; Chu, Sheng; Zhang, Hang

    2016-08-10

    Two-dimensional (2D) atomic-layered semiconductors are important for next-generation electronics and optoelectronics. Here, we designed the growth of an MoSe2 atomic layer on a lattice-matched GaN semiconductor substrate. The results demonstrated that the MoSe2 films were less than three atomic layers thick and were single crystalline of MoSe2 over the entire GaN substrate. The ultrathin MoSe2/GaN heterojunction diode demonstrated ∼850 nm light emission and could also be used in photovoltaic applications. PMID:27409977

  8. Controlling the optical bistability via quantum interference in a four-level N-type atomic system

    Energy Technology Data Exchange (ETDEWEB)

    Sahrai, M., E-mail: sahrai@tabrizu.ac.ir [Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz (Iran, Islamic Republic of); Asadpour, S.H. [Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz (Iran, Islamic Republic of); Mahrami, H. [Bonab Higher Complex Education, Bonab (Iran, Islamic Republic of); Sadighi-Bonabi, R. [Department of Physics, Sharif University of Technology, Tehran (Iran, Islamic Republic of)

    2011-08-15

    We investigate the optical bistability (OB) and optical multi-stability (OM) in a four-level N-type atomic system. The effect of spontaneously generated coherence (SGC) on OB and OM is then discussed. It is found that SGC makes the medium phase dependent, so the optical bistability and multi-stability threshold can be controlled via relative phase between applied fields. We realize that the frequency detuning of probe and coupling fields with the corresponding atomic transition plays an important role in creation OB and OM. Moreover, the effect of laser coupling fields and an incoherent pumping field on reduction of OB and OM threshold is then discussed. - Highlights: > We modulate the optical bistability (OB) in a four-level N-type atomic system. The effect of spontaneously generated coherence on OB is discussed. > Spontaneously generated coherence makes the medium phase dependent. > The frequency of coupling field can reduce OB threshold. > We discuss the effect of an incoherent pumping field on reduction of OB threshold.

  9. Effect of excited nitrogen atoms on inactivation of spore-forming microorganisms in low pressure N2/O2 surface-wave plasma

    Science.gov (United States)

    Yang, Xiaoli; Chang, Xijiang; Tei, Reitou; Nagatsu, Masaaki

    2016-06-01

    Using a vacuum ultraviolet (VUV) absorption spectroscopy with a compact low pressure plasma light source, the absolute nitrogen atom density was measured to study its role in the spore inactivation with low pressure N2/O2 gas mixture surface-wave plasmas (SWPs). Self-absorption effect of the resonance emission lines of nitrogen atoms near 120 nm was minimized by optimizing its discharge conditions of the plasma light source. Experimental results showed that excited nitrogen atom densities monotonically decreased with the decrease of N2 gas percentage in N2/O2 gas mixture SWPs, concomitantly with similar decrease of VUV/UV emission intensities of nitrogen atoms and molecules. In the pure N2 gas SWPs, it was confirmed that a dominant lethal factor was VUV/UV emission generated by N2 plasma, while spore etching occurred via physical and chemical interactions with nitrogen species. With an addition of O2 gas, significant spore etching by excited oxygen atoms made it much easier for the VUV/UV photons emitted by nitrogen atoms, N2 and NO molecules to penetrate through the etched spore coats to the core and cause the fatal DNA damage of the microorganisms. As a result, more rapid inactivation was achieved in the middle region of N2/O2 gas mixture ratio, such as 30–80% O2 gas addition, in the present N2/O2 gas mixture SWPs.

  10. Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms

    Science.gov (United States)

    Martínez-Santiago, Oscar; Marrero-Ponce, Yovani; Barigye, Stephen J.; Le Thi Thu, Huong; Torres, F. Javier; Zambrano, Cesar H.; Muñiz Olite, Jorge L.; Cruz-Monteagudo, Maykel; Vivas-Reyes, Ricardo; Vázquez Infante, Liliana; Artiles Martínez, Luis M.

    2016-01-01

    This report examines the interpretation of the Graph Derivative Indices (GDIs) from three different perspectives (i.e., in structural, steric and electronic terms). It is found that the individual vertex frequencies may be expressed in terms of the geometrical and electronic reactivity of the atoms and bonds, respectively. On the other hand, it is demonstrated that the GDIs are sensitive to progressive structural modifications in terms of: size, ramifications, electronic richness, conjugation effects and molecular symmetry. Moreover, it is observed that the GDIs quantify the interaction capacity among molecules and codify information on the activation entropy. A structure property relationship study reveals that there exists a direct correspondence between the individual frequencies of atoms and Hückel’s Free Valence, as well as between the atomic GDIs and the chemical shift in NMR, which collectively validates the theory that these indices codify steric and electronic information of the atoms in a molecule. Taking in consideration the regularity and coherence found in experiments performed with the GDIs, it is possible to say that GDIs possess plausible interpretation in structural and physicochemical terms. PMID:27240357

  11. Strongly interacting Fermi systems in 1/N expansion: From cold atoms to color superconductivity

    Czech Academy of Sciences Publication Activity Database

    Abuki, H.; Brauner, Tomáš

    2008-01-01

    Roč. 78, č. 12 (2008), 125010/1-125010/13. ISSN 1550-7998 R&D Projects: GA ČR GA202/06/0734 Institutional research plan: CEZ:AV0Z10480505 Keywords : BCS-BEC crossover * Unitary Fermi gas * Quark matter Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 5.050, year: 2008

  12. Structures of 38-atom gold-platinum nanoalloy clusters

    Energy Technology Data Exchange (ETDEWEB)

    Ong, Yee Pin; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    Bimetallic nanoclusters, such as gold-platinum nanoclusters, are nanomaterials promising wide range of applications. We perform a numerical study of 38-atom gold-platinum nanoalloy clusters, Au{sub n}Pt{sub 38−n} (0 ≤ n ≤ 38), to elucidate the geometrical structures of these clusters. The lowest-energy structures of these bimetallic nanoclusters at the semi-empirical level are obtained via a global-minimum search algorithm known as parallel tempering multi-canonical basin hopping plus genetic algorithm (PTMBHGA), in which empirical Gupta many-body potential is used to describe the inter-atomic interactions among the constituent atoms. The structures of gold-platinum nanoalloy clusters are predicted to be core-shell segregated nanoclusters. Gold atoms are observed to preferentially occupy the surface of the clusters, while platinum atoms tend to occupy the core due to the slightly smaller atomic radius of platinum as compared to gold’s. The evolution of the geometrical structure of 38-atom Au-Pt clusters displays striking similarity with that of 38-atom Au-Cu nanoalloy clusters as reported in the literature.

  13. Confinement induced binding of noble gas atoms

    International Nuclear Information System (INIS)

    The stability of Ngn@B12N12 and Ngn@B16N16 systems is assessed through a density functional study and ab initio simulation. Although they are found to be thermodynamically unstable with respect to the dissociation of individual Ng atoms and parent cages, ab initio simulation reveals that except Ne2@B12N12 they are kinetically stable to retain their structures intact throughout the simulation time (500 fs) at 298 K. The Ne2@B12N12 cage dissociates and the Ne atoms get separated as the simulation proceeds at this temperature but at a lower temperature (77 K) it is also found to be kinetically stable. He-He unit undergoes translation, rotation and vibration inside the cavity of B12N12 and B16N16 cages. Electron density analysis shows that the He-He interaction in He2@B16N16 is of closed-shell type whereas for the same in He2@B12N12 there may have some degree of covalent character. In few cases, especially for the heavier Ng atoms, the Ng-N/B bonds are also found to have some degree of covalent character. But the Wiberg bond indices show zero bond order in He-He bond and very low bond order in cases of Ng-N/B bonds. The energy decomposition analysis further shows that the ΔEorb term contributes 40.9% and 37.3% towards the total attraction in the He2 dimers having the same distances as in He2@B12N12 and He2@B16N16, respectively. Therefore, confinement causes some type of orbital interaction between two He atoms, which akins to some degree of covalent character

  14. Occupation statistics of the 5/7-atom dislocation core structure within n-type indium nitride

    Science.gov (United States)

    Baghani, Erfan; O'Leary, Stephen K.

    2013-08-01

    Recent density functional calculations by Kalesaki et al. [Appl. Phys. Lett. 98, 072103 (2011)] and by Takei and Nakayama [J. Cryst. Growth 311, 2767 (2009)] have shown that the 5/7-atom dislocation core structure possesses a donor character within intrinsic wurtzite InN. In the present work, we relax the assumption that wurtzite InN is intrinsic and obtain the occupation statistics of the different possible ionization states of the 5/7-atom dislocation defect sites as a function of the bulk doping concentration. An underlying Gibbs factor formalism, similar to that applied earlier to the problem of obtaining the occupation statistics of the dislocation defect sites within n-type gallium nitride, has been employed for the purposes of the present analysis. The occupation statistics results of this analysis suggest that dislocation line densities below 1010 cm-2 are necessary in order to achieve bulk free electron concentrations lower than 1017 cm-3 within wurtzite InN. Our occupation statistics results are shown to be consistent with existing electron mobility measurements from the literature.

  15. Neutron capture reactions relevant to s-process and p-process in the domain of the $N=50$ shell closure

    CERN Document Server

    Dutta, Saumi; Bhattacharyya, Abhijit

    2016-01-01

    Radiative thermal neutron capture cross sections for nuclei participating in s-process and p-process nucleosynthesis in and around $N=50$ closed neutron shell have been calculated in statistical semi-microscopic Hauser-Feshbach approach for the energy range of astrophysical interest. A folded optical model potential is constructed utilizing the standard DDM3Y real nucleon-nucleon interaction. The folding of the interaction with target radial matter densities, obtained from the relativistic-mean-field approach, is done in coordinate space using the spherical approximation. The standard nuclear reaction code TALYS1.8 is used for cross-section calculation. The cross sections are compared with experimental results and reasonable agreements are found for almost all cases. Maxwellian-averaged cross sections (MACS) for the nuclei are presented at a single thermal energy of 30 keV relevant to s-process. We have also presented the MACS values over a range of energy from 5 to 100 keV for neutron magic nuclei with $(N=5...

  16. Preparation, thermal properties and thermal reliabilities of microencapsulated n-octadecane with acrylic-based polymer shells for thermal energy storage

    International Nuclear Information System (INIS)

    Highlights: ► n-Octadecane was encapsulated by p(butyl methacrylate) (PBMA) and p(butyl acrylate). ► Microcapsules using divinylbenzene as crosslinking agent have better quality. ► Microcapsule with butyl methacrylate–divinylbenzene has highest latent heat. ► Microcapsule with butyl methacrylate–divinylbenzene has greatest thermal stability. ► Phase change temperatures and enthalpies of the microcapsules varied little after thermal cycle. - Abstract: Microencapsulation of n-octadecane with crosslinked p(butyl methacrylate) (PBMA) and p(butyl acrylate) (PBA) as shells for thermal energy storage was carried out by a suspension-like polymerization. Divinylbenzene (DVB) and pentaerythritol triacrylate (PETA) were employed as crosslinking agents. The surface morphologies of the microencapsulated phase change materials (microPCMs) were studied by scanning electron microscopy (SEM). Thermal properties, thermal reliabilities and thermal stabilities of the as-prepared microPCMs were investigated by differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA). The microPCMs prepared by using DVB exhibit greater heat capacities and higher thermal stabilities compared with those prepared by using PETA. The thermal resistant temperature of the microPCM with BMA–DVB polymer was up to 248 °C. The phase change temperatures and latent heats of all the as-prepared microcapsules varied little after 1000 thermal cycles.

  17. Preparation, thermal properties and thermal reliabilities of microencapsulated n-octadecane with acrylic-based polymer shells for thermal energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Xiaolin [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, Tsinghua University, Haidian District, Beijing 100084 (China); Song, Guolin; Chu, Xiaodong; Li, Xuezhu [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Tang, Guoyi, E-mail: tanggy@tsinghua.edu.cn [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, Tsinghua University, Haidian District, Beijing 100084 (China)

    2013-01-10

    Highlights: Black-Right-Pointing-Pointer n-Octadecane was encapsulated by p(butyl methacrylate) (PBMA) and p(butyl acrylate). Black-Right-Pointing-Pointer Microcapsules using divinylbenzene as crosslinking agent have better quality. Black-Right-Pointing-Pointer Microcapsule with butyl methacrylate-divinylbenzene has highest latent heat. Black-Right-Pointing-Pointer Microcapsule with butyl methacrylate-divinylbenzene has greatest thermal stability. Black-Right-Pointing-Pointer Phase change temperatures and enthalpies of the microcapsules varied little after thermal cycle. - Abstract: Microencapsulation of n-octadecane with crosslinked p(butyl methacrylate) (PBMA) and p(butyl acrylate) (PBA) as shells for thermal energy storage was carried out by a suspension-like polymerization. Divinylbenzene (DVB) and pentaerythritol triacrylate (PETA) were employed as crosslinking agents. The surface morphologies of the microencapsulated phase change materials (microPCMs) were studied by scanning electron microscopy (SEM). Thermal properties, thermal reliabilities and thermal stabilities of the as-prepared microPCMs were investigated by differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA). The microPCMs prepared by using DVB exhibit greater heat capacities and higher thermal stabilities compared with those prepared by using PETA. The thermal resistant temperature of the microPCM with BMA-DVB polymer was up to 248 Degree-Sign C. The phase change temperatures and latent heats of all the as-prepared microcapsules varied little after 1000 thermal cycles.

  18. Dancing with Energetic Nitrogen Atoms: Versatile N-Functionalization Strategies for N-Heterocyclic Frameworks in High Energy Density Materials.

    Science.gov (United States)

    Yin, Ping; Zhang, Qinghua; Shreeve, Jean'ne M

    2016-01-19

    Nitrogen-rich heterocycles represent a unique class of energetic frameworks featuring high heats of formation and high nitrogen content, which have generated considerable research interest in the field of high energy density materials (HEDMs). Although traditional C-functionalization methodology of aromatic hydrocarbons has been fully established, studies on N-functionalization strategies of nitrogen-containing heterocycles still have great potential to be exploited by virtue of forming diverse N-X bonds (X = C, N, O, B, halogen, etc.), which are capable of regulating energy performance and the stability of the resulting energetic compounds. In this sense, versatile N-functionalization of N-heterocyclic frameworks offers a flexible strategy to meet the requirements of developing new-generation HEDMs. In this Account, the role of strategic N-functionalization in designing new energetic frameworks, including the formation of N-C, N-N, N-O, N-B and N-halogen bonds, is emphasized. In the family of N-functionalized HEDMs, energetic derivatives, by virtue of forming N-C bonds, are the most widely used type due to the good nucleophilic capacity of most heterocyclic backbones. Although introduction of carbon tends to decrease energetic performance, significant improvement in material sensitivity makes this strategy attractive for safety concerns. More importantly, most "explosophores" can be readily introduced into the N-C linkage, thus providing a promising route to various HEDMs. Formation of additional N-N bonds typically gives rise to higher heats of formation, implying the potential enhancement in detonation performance. In many cases, the increased hydrogen bonding interactions within N-N functionalized heterocycles also improve thermal stability accordingly. Introduction of a single N,N'-azo bridge into several azole moieties leads to an extended nitrogen chain, demonstrating a new strategy for designing high-nitrogen compounds. The strategy of N-O functionalization

  19. Bipolar resistive switching properties of AlN films deposited by plasma-enhanced atomic layer deposition

    Science.gov (United States)

    Zhang, Jian; Zhang, Qilong; Yang, Hui; Wu, Huayu; Zhou, Juehui; Hu, Liang

    2014-10-01

    AlN thin films deposited by plasma-enhanced atomic layer deposition (PEALD) have been used to investigate the resistive switching (RS) behavior. The bipolar RS properties were observed in the Cu/PEALD-AlN/Pt devices, which are induced upon the formation/disruption of Cu conducting filaments, as confirmed by the temperature dependent resistances relationships at different resistance states. The resistance ratio of the high and low resistance states (HRS/LRS) is 102-105. The dominant conduction mechanisms at HRS and LRS are trap-controlled space charge limited current and Ohmic behavior, respectively. This study demonstrated that the PEALD-AlN films have a great potential for the applications in high-density resistance random access memory.

  20. Study of GaN MOS-HEMT using ultrathin Al2O3 dielectric grown by atomic layer deposition

    Institute of Scientific and Technical Information of China (English)

    YUE YuanZheng; HAO Yue; FENG Qian; ZHANG JinCheng; MA XiaoHua; NI JinYu

    2009-01-01

    We report on a GaN metal-oxide-semiconductor high electron mobility transistor (MOS-HEMT) using atomic-layer deposited (ALD) Al2O3 as the gate dielectric. Through further decreasing the thickness of the gate oxide to 3.5 nm and optimizing the device fabrication process, a device with maximum transconductance of 150 mS/mm was produced. The drain current of this 0.8 μm gate-length MOS-HEMT could reach 800 mA/mm at +3.0 V gate bias. Compared to a conventional AIGaN/GaN HEMT of similar design, better interface property, lower leakage current, and smaller capacitance-voltage (C-V) hysteresis were obtained, and the superiority of this MOS-HEMT device structure with ALD Al2O3 gate dielectric was exhibited.