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. Exotic atoms and their electron shell

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-04-01

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

  3. Exotic atoms and their electron shell

    Science.gov (United States)

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

    1994-04-01

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

  4. 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.

  5. 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...

  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. K-shell ionization in relativistic ion-atom collisions

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-08-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1989-02-01

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

  11. 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.

  12. The shells of atomic structure in metallic glasses

    Science.gov (United States)

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

    2016-02-01

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

  13. 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.

  14. 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

  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. 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.

  17. 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.

  18. 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.

  19. 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.

  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. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-04-01

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

  2. 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.

  3. 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)

  4. 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.

  5. 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

  6. 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)

  7. An Empirical Formula of Atomic K-Shell Ionization Cross Sections by Electron Impact

    Institute of Scientific and Technical Information of China (English)

    唐昶环; 安竹; 罗正明; 范晓强

    2001-01-01

    An empirical formula is proposed to describe the K-shell ionization cross sections by electron impact over a wide range of atomic numbers and overvoltages U (the ratio between the electron incident energy and the bindingenergy of the electrons in the K-shell). The study is based on the analysis of existing experimental data of K-shell ionization cross sections. The expression shows the results in good agreement with the data for Z<6 atoms as well as for 6<Z<79.

  8. 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

  9. Many-body interaction and deformation of the atomic electron shells in the lattice dynamics of compressed atomic cryocrystals

    Science.gov (United States)

    Troitskaya, E. P.; Gorbenko, Ie. Ie.; Pilipenko, E. A.

    2016-05-01

    The lattice dynamics of compressed atomic cryocrystals are based on ab initio quantum-mechanical theories of deformable and polarizable atoms (Tolpygo model), while taking into account the many-body interaction. The parameters of the three-particle interaction and deformation of the atomic electron shells, which are calculated in terms of the overlap integrals of atomic orbitals and their derivatives, have the same order of magnitude thus demonstrating that they must be considered in tandem. Accounting for the deformation effects of the electron shells in the dipole approximation when calculating phonon frequencies leads to a "softening" of the longitudinal modes at points L and X, for an entire series of Ne-Xe crystals, and of the transverse modes in the directions Σ and Λ for Xe, under high compression. It is shown that it impossible to adequately reproduce the observed deviation from the Cauchi relation δ(p) for compressed atomic cryocrystals, without accounting for the deformation of electron shells of atoms in a quadrupole approximation. The inputs from a three-particle and quadrupole interaction for Ne, Kr, and Xe crystals are mutually compensated, which provides a weak dependence on pressure for δ(p). We found a good agreement between the calculated phonon frequencies, Birch and Fuchs elastic moduli, the deviation from the Cauchi relation for the total number of Ne-Xe crystals in a wide range of pressures, and existing experiments.

  10. 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....

  11. 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...

  12. 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.

  13. 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.

  14. 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.

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

    OpenAIRE

    Verma, Punita

    2010-01-01

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

  16. 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 physics of a two-component cold fermi gas is now frequently addressed in laboratories. Usually this is done for large samples of tens to hundreds of thousands of particles. However, it is now possible to produce few-body systems (1-100 particles) in very tight traps where the shell structure...... of the external potential becomes important. A system of two-species fermionic cold atoms with an attractive zero-range interaction is analogous to a simple model of nucleus in which neutrons and protons interact only through a residual pairing interaction. In this article, we discuss how the problem of a two......-component atomic fermi gas in a tight external trap can be mapped to the nuclear shell model so that readily available many-body techniques in nuclear physics, such as the Shell Model Monte Carlo (SMMC) method, can be directly applied to the study of these systems. We demonstrate an application of the SMMC method...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-07-01

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

  18. Shell-model studies of the N=14 and 16 shell closures in neutron-rich nuclei

    Institute of Scientific and Technical Information of China (English)

    YUAN Cen-Xi; QI Chong; XU Fu-Rong

    2009-01-01

    Shell-model studies on the N = 14 and 16 shell closures in neutron-rich Be, C, O and Ne isotopes are presented. We calculate, with the WBT interaction, the excited states in these nuclei. The calculations agree with recent experiment data. Excited energies and B(E2) values are displayed to discuss the shell closures.Our results support the N = 16 shell closure in these isotopes, while indicating a disappearance of N = 14 shell closure in Be and C isotopes.

  19. 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)

  20. 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)

  1. N=2 Supergravity Counterterms, Off and On Shell

    CERN Document Server

    Chemissany, W; Kallosh, R; Shahbazi, C S

    2012-01-01

    We study N=2 supergravity deformed by a genuine supersymmetric completion of the $\\lambda R^4$ term, using the underlying off shell N=2 superconformal framework. The gauge-fixed superconformal model has unbroken local supersymmetry of N=2 supergravity with higher derivative deformation. Elimination of auxiliary fields leads to the deformation of the supersymmetry rules as well as to the deformation of the action, which becomes a Born-Infeld with higher derivative type action. We find that the gravitino supersymmetry deformation starts from $\\lambda \\, \\pa^4 {\\cal F}^3$ and has higher graviphoton couplings. In the action there are terms $\\lambda^2 \\pa^8 {\\cal F}^{6}$ and higher, in addition to original on shell counterterm deformation. These deformations are absent in the on shell superspace and in the candidate on shell counterterms of N=4,~8 supergravities, truncated down to N=2. We conclude therefore that the undeformed on shell superspace candidate counterterms break the N=2 part of local supersymmetry.

  2. 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...

  3. 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.

  4. Off-shell massive N=1 supermultiplets in three dimensions

    CERN Document Server

    Kuzenko, Sergei M

    2016-01-01

    This paper is mainly concerned with the construction of new off-shell higher spin N=1 supermultiplets in three spacetime dimensions. We elaborate on the gauge prepotentials and linearised super-Cotton tensors for higher spin N=1 superconformal geometry and propose compensating superfields required to formulate off-shell massless higher spin supermultiplets. The corresponding gauge-invariant actions are worked out explicitly using an auxiliary oscillator realisation. We construct, for the first time, off-shell massive higher spin supermultiplets. The gauge-invariant actions for these supermultiplets are obtained by adding Chern-Simons like mass terms (that is, higher spin extensions of the linearised action for N=1 conformal supergravity) to the actions for the massless supermultiplets. For each of the massive gravitino and supergravity multiplets, we propose two dually equivalent formulations.

  5. 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...

  6. 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.

  7. GaN nanowires sputtered with Ag shell layers

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyoun Woo, E-mail: hwkim@inha.ac.k [Division of Materials Science and Engineering, Inha University, Incheon 402-751 (Korea, Republic of); Kebede, Mesfin Abayneh; Kim, Hyo Sung; Lee, Chongmu [Division of Materials Science and Engineering, Inha University, Incheon 402-751 (Korea, Republic of)

    2009-05-29

    We have demonstrated the fabrication of GaN-core/Ag shell nanowires and investigated their annealing effects. Scanning electron microscopy has revealed that the thermal annealing facilitated the surface-roughening of the heteronanowires. TEM investigations indicated that the thermal annealing has changed the shell morphology from continuous Ag layer to the discrete Au nanoparticles or islands. X-ray diffraction suggested that the thermal annealing has enhanced the crystallinity of Ag shell. Photoluminescence measurements revealed that the Ag-sputtering has induced an UV peak, in addition to the GaN-associated emission peaks. Thermal annealing has further changing the overall shape of the PL spectrum and we have discussed the possible emission mechanisms.

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

    CERN Document Server

    Lee, Jeongwon; Noh, Jiho; Mun, Jongchul

    2014-01-01

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

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

    CERN Document Server

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

    2007-01-01

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

  10. 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)

  11. 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.

  12. 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.

  13. 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)

  14. 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)

  15. 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)

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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...

  2. 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

  3. 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...

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

    Science.gov (United States)

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

    2015-12-18

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

  5. 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.

  6. Evolution of the N=50 shell gap energy towards $^{78}$Ni

    CERN Document Server

    Hakala, J; Elomaa, V -V; Eronen, T; Hager, U; Jokinen, A; Kankainen, A; Moore, I D; Pentillä, H; Rinta-Antila, S; Rissanen, J; Saastamoinen, A; Sonoda, T; Weber, C; Äystö, J

    2008-01-01

    Atomic masses of the neutron-rich isotopes $^{76-80}$Zn, $^{78-83}$Ga, $^{80-85}Ge, $^{81-87}$As and $^{84-89}$Se have been measured with high precision using the Penning trap mass spectrometer JYFLTRAP at the IGISOL facility. The masses of $^{82,83}$Ga, $^{83-85}$Ge, $^{84-87}$As and $^{89}$Se were measured for the first time. These new data represent a major improvement in the knowledge of the masses in this neutron-rich region. Two-neutron separation energies provide evidence for the reduction of the N=50 shell gap energy towards germanium Z=32 and a subsequent increase at gallium (Z=31). The data are compared with a number of theoretical models. An indication of the persistent rigidity of the shell gap towards nickel (Z=28) is obtained.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. 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:

  12. 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

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

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

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

  14. 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)

  15. 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 .

  16. 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.)

  17. 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.

  18. 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)

  19. Many-body perturbation-theory formulas for energy levels of excited states of closed-shell atoms

    Energy Technology Data Exchange (ETDEWEB)

    Avgoustoglou, E.; Johnson, W.R.; Plante, D.R.; Sapirstein, J.; Sheinerman, S. (Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556 (United States)); Blundell, S.A. (University of California, Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 94550 (United States))

    1992-11-01

    Many-body perturbation-theory formulas are derived for one-particle--one-hole excited states of closed-shell atoms. Both analytic results and Goldstone diagrams complete through third order are presented, and a sample calculation of a transition energy in neonlike xenon is carried out.

  20. 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.

  1. 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.

  2. 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.

  3. Structural and photoluminescence properties of GaN/ZnO core-shell nanowires with their shells sputtered

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyoun Woo; Kim, Hyo Sung; Kebede, Mesfin Abayneh; Na, Han Gil; Yang, Ju Chan; Lee, Chongmu [Division of Materials Science and Engineering, Inha University, Incheon (Korea)

    2009-06-15

    We have reported the preparation of ZnO-coated GaN nanowires and investigated changes in the structural and photoluminescence (PL) properties by the application of a thermal annealing process. For fabricating the core-shell nanowires, Zn target was used to sputter ZnO shell onto GaN core nanowires. X-ray diffraction (XRD) analysis indicated that the annealed core-shell nanowires clearly exhibited the ZnO as well as GaN phase. The transmission electron microscopy (TEM) investigation suggested that annealing has induced the crystallization of ZnO shell layer. We have carried out Gaussian deconvolution analysis for the measured PL spectra, revealing that the core GaN nanowires exhibited broad emission which consist of red, yellow, blue, and ultraviolet peaks. ZnO-sputtering induced new peaks in the green region. Thermal annealing reduced the relative intensity of the green emission. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. 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)

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

    Science.gov (United States)

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

    2014-10-01

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

  6. 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

  7. Mass measurements of $^{56-57}$Cr and the question of shell reincarnation at $N = 32$

    CERN Document Server

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

    2005-01-01

    Binding energies determined with high accuracy provide smooth derivatives of the mass surface for analysis of shell and pairing effects. Measurements with the Penning trap mass spectrometer ISOLTRAP at CERN-ISOLDE were made for $^{56-57}$Cr for which an accuracy of $4 \\times 10^{-8}$ was achieved. Analysis of the mass surface for the supposed new $N = 32$ shell closure rather indicates a sub-shell closure, but of a different nature than known cases such as $^{94}$Sr.

  8. 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.

  9. 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

  10. 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.

  11. Grassmannian Integral for General 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 with arbitrary number of off-shell gluons or equivalently Wilson line operator insertions. We make a conjecture for the Grassmannian integral representation for such objects and verify our conjecture on several examples. It is remarkable that in our formulation one can consider situation when on-shell particles are not present at all, i.e. we have Grassmannian integral representation for purely off-shell object. In addition we show that off-shell amplitude with arbitrary number of off-shell gluons could be also obtained using quantum inverse scattering method for auxiliary $\\mathfrak{gl}(4|4)$ super spin chain.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-10-15

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

  13. 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

  14. 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 .

  15. 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.

  16. 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.

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

    CERN Document Server

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

    2016-01-01

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

  18. 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.

  19. 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...

  20. 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.

  1. Transmission Spectrum of an Optical Cavity Containing N Atoms

    CERN Document Server

    Leslie, S; Brown, K R; Stamper-Kurn, D M; Whaley, K B; Leslie, Sabrina; Shenvi, Neil; Brown, Kenneth R.; Stamper-Kurn, Dan M.

    2003-01-01

    The transmission spectrum of a high-finesse optical cavity containing an arbitrary number of trapped atoms is presented. We take spatial and motional effects into account and show that in the limit of strong coupling, the important spectral features can be determined for an arbitrary number of atoms, N. We also show that these results have important ramifications in limiting our ability to determine the number of atoms in the cavity.

  2. 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.

  3. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-08-20

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

  5. 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

  6. Physical Nature of the [S II]-bright Shell Nebulae N70 and N185

    CERN Document Server

    Zhang, Ning-Xiao; Williams, R M; Jiang, Bing; Chen, Yang; Gruendl, R A

    2014-01-01

    N70 and N185 are two large, $\\ge$100 pc in diameter, shell nebulae in the Large Magellanic Cloud (LMC). Their high [S II]/H$\\alpha$ 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 ($\\sim$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, $\\sim6.1\\times10^{35}$ erg s$^{-1}$, 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...

  7. Low-lying dipole strength in the N = 28 shell-closure nucleus {sup 52}Cr

    Energy Technology Data Exchange (ETDEWEB)

    Pai, Haridas; Beller, Jacob; Benouaret, Nadia; Enders, Joachim; Hartmann, Timo; Karg, Oliver; Neumann-Cosel, Peter von; Pietralla, Norbert; Ponomarev, Vladimir Yu.; Romig, Christopher; Schnorrenberger, Linda; Volz, Stephan; Zweidinger, Markus [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); Scheck, Marcus [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany); School of Engineering, University of the West of Scotland, Paisley (United Kingdom); SUPA, Scottish Universities Physics Alliance, Glasgow (United Kingdom)

    2014-07-01

    Low-lying electric and magnetic dipole strengths (E1 and M1, respectively) of atomic nuclei have drawn considerable attention in the last decade. The low-lying dipole strength of the N = 28 closed-shell nucleus {sup 52}Cr was studied with nuclear resonance fluorescence up to 9.9 MeV, using bremsstrahlung at the superconducting Darmstadt electron linear accelerator S-DALINAC. Twenty-eight spin-1 states were observed between 5.0 and 9.5 MeV excitation energy, 14 of those for the first time and uncertainties for cross sections were reduced in many cases. Both, electric dipole excitations (E1, around 8 MeV) and magnetic dipole excitations (M1, around 9 MeV) were detected. Microscopic calculations within the quasiparticle-phonon nuclear model were performed using a basis which includes one-, two-, and three-phonon configurations to interpret the dipole strength distributions of {sup 52}Cr and show good agreement with experimental results.

  8. Enhanced thermoelectric transport in modulation-doped GaN/AlGaN core/shell nanowires.

    Science.gov (United States)

    Song, Erdong; Li, Qiming; Swartzentruber, Brian; Pan, Wei; Wang, George T; Martinez, Julio A

    2016-01-01

    The thermoelectric properties of unintentionally n-doped core GaN/AlGaN core/shell N-face nanowires are reported. We found that the temperature dependence of the electrical conductivity is consistent with thermally activated carriers with two distinctive donor energies. The Seebeck coefficient of GaN/AlGaN nanowires is more than twice as large as that for the GaN nanowires alone. However, an outer layer of GaN deposited onto the GaN/AlGaN core/shell nanowires decreases the Seebeck coefficient at room temperature, while the temperature dependence of the electrical conductivity remains the same. We attribute these observations to the formation of an electron gas channel within the heavily-doped GaN core of the GaN/AlGaN nanowires. The room-temperature thermoelectric power factor for the GaN/AlGaN nanowires can be four times higher than the GaN nanowires. Selective doping in bandgap engineered core/shell nanowires is proposed for enhancing the thermoelectric power.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  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. Preparations and properties of a tunable void with shell thickness SiO2@SiO2 core-shell structures via activators generated by electron transfer for atom transfer radical polymerization

    Science.gov (United States)

    Ren, Yi-xian; Zhou, Guo-wei; Cao, Pei

    2016-02-01

    Core-shell structure nanoparticles are attracting considerable attention because of their applications in drug delivery, catalysis carrier, and nanomedicine. In this study, SiO2@SiO2 core-shell structure with tunable void and shell thickness was successfully prepared for the first time using SiO2-poly(buty acrylate) (PBA)-poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA) (SiO2-PBA-b-PDMAEMA) as the template and tetraethoxysilane (TEOS) as the silica source. An amphiphilic copolymer PBA-b-PDMAEMA was first grafted onto the SiO2 nanosphere surface through activators regenerated by electron transfer for atom transfer radical polymerization. TEOS was hydrolyzed along with the PDMAEMA chain through hydrogen bonding, and the core-shell structure of SiO2@SiO2 was obtained through calcination to remove the copolymer. The gradient hydrophilicity of the PBA-b-PDMAEMA copolymer template facilitated the hydrolysis of TEOS molecules along the PDMAEMA to PBA segments, thereby tuning the voids between the SiO2 core and SiO2 shell, as well as the SiO2 shell thickness. The voids were about 10-15 nm and the shell thicknesses were about 4-11 nm when adding different amounts of DMAEMA monomer. SiO2@SiO2 core-shell structures with tunable void and shell thickness were employed as supports for the loading and release of doxorubicin hydrochloride (DOX) in PBS (pH 4.0). The samples demonstrated good loading capacity and controlled release rate of DOX.

  15. 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...

  16. 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...

  17. 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

  18. 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.

  19. 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).

  20. 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.

  1. A double copy for ${\\cal N}=2$ supergravity: a linearised tale told on-shell

    CERN Document Server

    Cardoso, G L; Nampuri, Suresh

    2016-01-01

    We construct the on-shell double copy for linearised four-dimensional ${\\cal N}=2$ supergravity coupled to one vector multiplet with a quadratic prepotential. We apply this dictionary to the weak-field approximation of dyonic BPS black holes in this theory.

  2. 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.

  3. 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...

  4. 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.

  5. 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.

  6. 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 .

  7. 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 ...

  8. 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.

  9. 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.

  10. 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.

  11. 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...

  12. 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.

  13. 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...

  14. 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

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

    Institute of Scientific and Technical Information of China (English)

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

    2008-01-01

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

  16. 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.

  17. Testing in-medium $\\pi N$ dynamics on pionic atoms

    CERN Document Server

    Friedman, E

    2014-01-01

    A general algorithm for handling the energy dependence of meson-nucleon amplitudes in the nuclear medium has been recently applied to antikaons and to eta mesons. Here we test this approach on $\\pi N$ amplitudes in pionic atoms where direct comparison can be made with ample experimental results. Applying this algorithm to a large-scale fit of 100 pionic-atom data points across the periodic table, which also include the `deeply-bound' states in Sn and Pb, reaffirms earlier conclusions on the density-dependent renormalization of the $\\pi N$ threshold isovector amplitude $b_1$, or equivalently the renormalization of the pion decay constant $f_{\\pi}$ in the nuclear medium.

  18. 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)

  19. 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.

  20. 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...

  1. 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.

  2. 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

  3. Beta-decay of Z<50 nuclei near the N=82 closed neutron shell

    Energy Technology Data Exchange (ETDEWEB)

    Borzov, I.N. [Gesellschaft fuer Schwerionenforschung Darmstadt, Planckstr. 1, D-64291 Darmstadt (Germany)], E-mail: i.borzov@gsi.de; Cuenca-Garcia, J.J.; Langanke, K. [Gesellschaft fuer Schwerionenforschung Darmstadt, Planckstr. 1, D-64291 Darmstadt (Germany); Martinez-Pinedo, G. [Gesellschaft fuer Schwerionenforschung Darmstadt, Planckstr. 1, D-64291 Darmstadt (Germany)], E-mail: g.martinez@gsi.de; Montes, F. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824 (United States)

    2008-12-15

    Systematic mean-field calculations of the {beta}-decay rates for the nuclei with charge numbers Z=42-49 approaching the possible r-process paths in vicinity of the spherical neutron shell at N=82 are performed within the DF+CQRPA framework employing a self-consistent approach to the nuclear ground states based on the local energy-density functional (DF) theory. The calculated ground state properties are compared with the available experimental data. The beta-strength-functions of the Gamow-Teller and first-forbidden decays and the total {beta}-decay half-lives are calculated within the continuum QRPA approach. If available, data and half-lives obtained on the basis of the Finite Range Droplet Model and the shell model are compared to our results. The effects of our calculated half-lives on the r-process abundances are explored in local r-process calculations.

  4. 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.

  5. Signature of the N=126 shell closure in dwell times of alpha-particle tunneling

    CERN Document Server

    Kelkar, N G

    2016-01-01

    Characteristic quantities such as the penetration and preformation probabilities, assault frequency and tunneling times in the tunneling description of alpha decay of heavy nuclei are explored to reveal their sensitivity to neutron numbers in the vicinity of the magic neutron number $N$ = 126. Using realistic nuclear potentials, the sensitivity of these quantities to the parameters of the theoretical approach is also tested. An investigation of the region from $N=116$ to $N=132$ in Po nuclei reveals that the tunneling $\\alpha$ particle spends the least amount of time with an $N=126$ magic daughter nucleus. The shell closure at $N=126$ seems to affect the behaviour of the dwell times of the tunneling alpha particles and this occurs through the influence of the $Q$-values involved.

  6. Signature of the N = 126 shell closure in dwell times of alpha-particle tunneling

    Science.gov (United States)

    Kelkar, N. G.; Nowakowski, M.

    2016-10-01

    Characteristic quantities such as the penetration and preformation probabilities, assault frequency and tunneling times in the tunneling description of alpha decay of heavy nuclei are explored to reveal their sensitivity to neutron numbers in the vicinity of the magic neutron number N = 126. Using realistic nuclear potentials, the sensitivity of these quantities to the parameters of the theoretical approach is also tested. An investigation of the region from N = 116 to N = 132 in Po nuclei reveals that the tunneling α particle spends the least amount of time with an N = 126 magic daughter nucleus. The shell closure at N = 126 seems to affect the behavior of the dwell times of the tunneling alpha particles and this occurs through the influence of the Q-values involved.

  7. 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

  8. Non-perturbative model for the half-off-shell $gamma N N$ vertex

    NARCIS (Netherlands)

    Kondratyuk, S.; Scholten, O.

    1999-01-01

    Submitted to: Phys. Rev. C Abstract: Form factors in the nucleon-photon vertex with one off-shell nucleon are calculated by dressing the vertex with pion loops up to infinite order. Cutting rules and dispersion relations are implemented in the model. Using the prescription of minimal substitution we

  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. 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.

  11. 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.)

  12. EVOLUTION OF THE WATER MASER EXPANDING SHELL IN W75N VLA 2

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jeong-Sook; Kim, Sang Joon [School of Space Science, Kyunghee University, Seocheon-dong, Giheung-si, Gyeonggi-do, 446-701 (Korea, Republic of); Kim, Soon-Wook [Korea Astronomy and Space Science Institute, 776 Daedeokdaero, Yuseong, Daejeon 305-348 (Korea, Republic of); Kurayama, Tomoharu [Graduate School of Science and Engineering, Kagoshima University, 1-21-35 Korimoto, Kagoshima, Kagoshima 890-0065 (Japan); Honma, Mareki [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Sasao, Tesuo [Yaeyama Star Club, Ookawa, Ishigaki, Okinawa 904-0022 (Japan); Surcis, Gabriele [Joint Institute for VLBI in Europe, Postbus 2, 7990 AA Dwingeloo (Netherlands); Canto, Jorge [Instituto de Astronomia (UNAM), Apartado 70-264, 04510 Mexico D. F. (Mexico); Torrelles, Jose M., E-mail: evony@kasi.re.kr, E-mail: skim@kasi.re.kr [Instituto de Ciencias del Espacio (CSIC)-UB/IEEC, Universitat de Barcelona, Marti i Franques 1, E-08028 Barcelona (Spain)

    2013-04-10

    We present Very Long Baseline Interferometry (VLBI) observations of 22 GHz H{sub 2}O masers in the high-mass star-forming region of W75N, carried out with VLBI Exploration of Radio Astrometry (VERA) for three epochs in 2007 with an angular resolution of {approx}1 mas. We detected H{sub 2}O maser emission toward the radio jet in VLA 1 and the expanding shell-like structure in VLA 2. The spatial distribution of the H{sub 2}O masers detected with VERA and measured proper motions around VLA 1 and VLA 2 are similar to those found with previous VLBI observations in epochs 1999 and 2005, with the masers in VLA 1 mainly distributed along a linear structure parallel to the radio jet and, on the other hand, forming a shell-like structure around VLA 2. We have made elliptical fits to the VLA 2 H{sub 2}O maser shell-like structure observed in the different epochs (1999, 2005, and 2007), and found that the shell is still expanding eight years after its discovery. From the difference in the size of the semi-major axes of the fitted ellipses in epochs 1999 ({approx_equal}71 {+-} 1 mas), 2005 ({approx_equal}97 {+-} 3 mas), and 2007 ({approx_equal}111 {+-} 1 mas), we estimate an average expanding velocity of {approx}5 mas yr{sup -1}, similar to the proper motions measured in the individual H{sub 2}O maser features. A kinematic age of {approx}20 yr is derived for this structure. In addition, our VERA observations indicate an increase in the ellipticity of the expanding shell around VLA 2 from epochs 1999 to 2007. In fact, the elliptical fit of the VERA data shows a ratio of the minor and major axes of {approx}0.6, in contrast with an almost circular shape for the shell detected in 1999 and 2005 (b/a {approx} 0.9). This suggests that we are probably observing the formation of a jet-driven H{sub 2}O maser structure in VLA2, evolving from a non-collimated pulsed-outflow event during the first stages of evolution of a massive young stellar object (YSO). This may support predictions made

  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. Deformed shell model study of heavy N=Z nuclei and dark matter detection

    CERN Document Server

    Sahu, R

    2016-01-01

    Deformed shell model (DSM) based on Hartree-Fock intrinsic states is applied to address two current problems of interest. Firstly, in the $f_{5/2}pg_{9/2}$ model space with jj44b effective interaction along with isospin projection, DSM is used to describe the structure of the recently observed low-lying $T=0$ and $T=1$ bands in the heavy odd-odd N=Z nucleus $^{66}$As. DSM results are close to the data and also to the shell model results. For the $T=1$ band, DSM predicts structural change at $8^+$ just as in the shell model. In addition, the lowest two $T=0$ bands are found to have quasi-deuteron structure above a $^{64}$Ge core and the $5^+$ and $9^+$ levels of the third $T=0$ band are found to be isomeric states. Secondly, in a first application of DSM to dark matter, detection rates for the lightest supersymmetric particle (a dark matter candidate) are calculated with $^{73}$Ge as the detector.

  15. 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...

  16. 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)

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

    OpenAIRE

    Wilson, G. L.; Catford, W. N.; Orr, N. A.; Aa. Diget, C; Matta, A.; Hackman, G.; S. J. Williams; Celik, I. C.; Achouri, N. L.; Al Falou, H.; R. Ashley; Austin, R. A. E.; Ball, G. C.; Blackmon, J. C.; Boston, A.J.

    2016-01-01

    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 2...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-09-01

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

  19. 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.

  20. 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)

  1. 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.

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

    Institute of Scientific and Technical Information of China (English)

    ZHANG XinHua; YANG ZhiYong; XU PeiPei

    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 degen-erate three-level atom with a single-mode cavity field is proposed, which is based upon the complete quantum theory mentioned above.

  3. Synthesis of N-halamine-functionalized silica-polymer core-shell nanoparticles and their enhanced antibacterial activity

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Alideertu; Wang Tao; Xiao Linghan; Wang Weiwei; Zhao Tianyi; Zheng Xin; Liu Fengqi; Gao Ge [College of Chemistry, Jilin University and MacDiarmid Laboratory, Changchun 130021 (China); Huang Jinfeng; Chen Yuxin [Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun 130012 (China); Lan Shi, E-mail: gaoge@jlu.edu.cn [College of Chemistry and Chemical Engineering, Inner Mongolia University for the Nationalities, Tongliao 028000 (China)

    2011-07-22

    N-halamine-functionalized silica-polymer core-shell nanoparticles with enhanced antibacterial activity were synthesized through the encapsulation of silica nanoparticles as support with polymeric N-halamine. The as-synthesized nanoparticles were characterized by transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy-dispersive x-ray spectrometry (EDX), dynamic light scattering (DLS), thermogravimetric analysis (TGA), and Fourier transform infrared (FTIR). These N-halamine-functionalized silica-polymer core-shell nanoparticles displayed powerful antibacterial performance against both Gram-positive bacteria and Gram-negative bacteria, and their antibacterial activities have been greatly improved compared with their bulk counterparts. Therefore, these N-halamine-functionalized silica-polymer core-shell nanoparticles have the potential for various significant applications such as in medical devices, healthcare products, water purification systems, hospitals, dental office equipment, food packaging, food storage, household sanitation, etc.

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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

  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

    2016-12-01

    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

  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.

  12. 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.

  13. 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.

  14. P-si nanowires/n-ZnO thin film based core-shell heterojunction diodes with improved effective Richardson constant.

    Science.gov (United States)

    Hazra, Purnima; Jit, S

    2014-07-01

    This paper reports the temperature dependent electrical parameters of p-Silicon nanowires (SiNWs)/n-ZnO thin film based core-shell heterojunction diodes fabricated by conformally deposited zinc oxide (ZnO) by atomic layer deposition (ALD) technique on metal-assisted chemically etched SiNWs. The temperature-dependent current-voltage characteristics of the device have been estimated using the modified thermionic emission model in which a Gaussian distributed barrier height function is assumed to include the effects of barrier inhomogeneity phenomenon at the p-SiNW /n-ZnO heterojunction interface. Various parameters such as the turn-on voltage, ideality factor (eta), barrier height (phi(b)) and reverse saturation current are estimated over the operating temperature range of 303 K to 423 K of the diode. The value of the Richardson constant is observed to be largely changed from an impractical value of 1.989 x 10(-6) A cm(-2) K-2 to a realistic value of 36.6 A cm(-2) K-2 once the barrier inhogeneity phenomenon is taken into consideration in the analysis. The estimated value of the Richardson constant is believed to be the best among the reported results. The study is also believed to be the first in case of p-SiNWs/n-ZnO core-shell heterojunction diodes.

  15. 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.

  16. 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

  17. Phase Transition of Poly(acrylic acid-co-N-isopropylacrylamide) Core-shell Nanogels

    Science.gov (United States)

    Liu, Xiao-bing; Zhou, Jian-feng; Ye, Xiao-dong

    2012-08-01

    A series of poly(acrylic acid) macromolecular chain transfer agents with different molecular weights were synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization and characterized by 1H NMR and gel permeation chromatography. Multiresponsive core-shell nanogels were prepared by dispersion polymerization of N-isopropylacrylamide in water using these poly(potassium acrylate) macro-RAFT agents as the electrosteric stabilizer. The size of the nanogels decreases with the amount of the macro-RAFT agent, indicating that the surface area occupied by per polyelectrolyte group is a critical parameter for stabilizing the nanogels. The volume phase transition and the zeta potentials of the nanogels in aqueous solutions were studied by dynamic light scattering and zetasizer analyzer, respectively.

  18. 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).

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

    Energy Technology Data Exchange (ETDEWEB)

    Krishna, S., E-mail: skrishna.bhu@gmail.com [Physics Department, Centre of Advanced Studies, Banaras Hindu University (BHU), Varanasi-221 005 (India); Shukla, A., E-mail: ashukla038@gmail.com [Physics Department, Centre of Advanced Studies, Banaras Hindu University (BHU), Varanasi-221 005 (India); Malik, R.P., E-mail: rpmalik1995@gmail.com [Physics Department, Centre of Advanced Studies, Banaras Hindu University (BHU), Varanasi-221 005 (India); DST-CIMS, Faculty of Science, BHU-Varanasi-221 005 (India)

    2014-12-15

    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 θ{sup 2}=(θ-bar){sup 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.

  1. 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)

  2. 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.

  3. 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...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

  5. 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...

  6. [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

  7. 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...

  8. 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

  9. InGaN/GaN core/shell nanowires for visible to ultraviolet range photodetection

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hezhi; Lavenus, Pierre; Julien, Francois H.; Tchernycheva, Maria [Institut d' Electronique Fondamentale, UMR CNRS 8622, Universite Paris Sud 11, 91405, Orsay (France); Messanvi, Agnes [Institut d' Electronique Fondamentale, UMR CNRS 8622, Universite Paris Sud 11, 91405, Orsay (France); Universite Grenoble Alpes, 38000, Grenoble (France); CEA, INAC-SP2M, ' ' Nanophysique et semiconducteurs' ' Group, 38000, Grenoble (France); Durand, Christophe; Eymery, Joel [Universite Grenoble Alpes, 38000, Grenoble (France); CEA, INAC-SP2M, ' ' Nanophysique et semiconducteurs' ' Group, 38000, Grenoble (France); Babichev, Andrey [ITMO University, 197101, St. Petersburg (Russian Federation); Ioffe Institute, Polytekhnicheskaya 26, 194021, St. Petersburg (Russian Federation)

    2016-04-15

    We report on the fabrication and characterization of single nitride nanowire visible-to-ultraviolet p-n photodetectors. Nitride nanowires containing 30 InGaN/GaN radial quantum wells with 18% indium fraction were grown by catalyst-free metal-organic vapour phase epitaxy. Single nanowires were contacted using optical lithography. As expected for a radial p-n junction, the current-voltage (I-V) curves of single wire detectors show a rectifying behavior in the dark and a photocurrent under illumination. The detectors present a response in the visible to UV spectral range starting from 2.8 eV. The peak responsivity is 0.17 A/W at 3.36 eV. The on-off switching time under square light pulses is found to be below 0.1 s. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. 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...

  11. 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.)

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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...

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. Masses of neutron-rich Ni and Cu isotopes and the shell closure at Z=28,N=40

    Energy Technology Data Exchange (ETDEWEB)

    Rahaman, S.; Hakala, J.; Elomaa, V.V.; Eronen, T.; Hager, U.; Jokinen, A.; Kankainen, A.; Moore, I.D.; Penttilae, H.; Rinta-Antila, S.; Rissanen, J.; Saastamoinen, A.; Weber, C.; Aeystoe, J. [University of Jyvaeskylae, Department of Physics, P.O. Box 35 (YFL) (Finland)

    2007-10-15

    The Penning trap mass spectrometer JYFLTRAP, coupled to the Ion Guide Isotope Separator On-Line (IGISOL) facility at Jyvaeskylae, was employed to measure the atomic masses of neutron-rich {sup 70-73}Ni and {sup 73,} {sup 75}Cu isotopes with a typical accuracy less than 5 keV. The mass of {sup 73}Ni was measured for the first time. Comparisons with the previous data are discussed. Two-neutron separation energies show a weak subshell closure at {sup 68} {sub 28}Ni{sub 40}. A well established proton shell gap is observed at Z=28. (orig.)

  2. 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.

  3. 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.

  4. The sorption and desorption of phosphate-P, ammonium-N and nitrate-N in cacao shell and corn cob biochars.

    Science.gov (United States)

    Hale, S E; Alling, V; Martinsen, V; Mulder, J; Breedveld, G D; Cornelissen, G

    2013-06-01

    The sorption of PO4-P, NH4-N and NO3-N to cacao shell and corn cob biochars produced at 300-350°C was quantified. The biochars were used; (i) as received (unwashed), (ii) after rinsing with Millipore water and (iii) following leaching with Millipore water. In addition to sorption, desorption of PO4-P from the unwashed biochars was quantified. There was no sorption of PO4-P to either washed or rinsed biochars, but following leaching, both biochars adsorbed PO4-P and distribution coefficients (Kd L kg(-1)) were very similar for both materials (10(1.1±0.5) for cacao shell biochar and 10(1.0±0.2) for corn cob biochar). The BET surface area and micropore volume increased 80% and 60% for the cacao shell and corn cob biochars following leaching. After 60 d, 1483±45 mg kg(-1) and 172±1 mg kg(-1) PO4-P was released from the cacao shell and corn cob biochars. NH4-N was sorbed by both unwashed biochars, albeit weakly with Kd values around 10(2) L kg(-1). We speculate that NH4-N could bind via an electrostatic exchange with other cationic species on the surface of the biochar. There was no significant release or sorption of NO3-N from or to either of the biochars. PMID:23369636

  5. 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.

  6. 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

  7. On the nuclear $(n;t)-$reaction in the three-electron ${}^{6}$Li atom

    CERN Document Server

    Frolov, Alexei M

    2012-01-01

    The nuclear $(n;t)-$reaction of the three-electron ${}^{6}$Li atom with thermal/slow neutrons is considered. An effective method has been developed for determining the probabilities of formation of various atoms and ions in different bound states. We discuss a number of fundamental questions directly related to numerical computations of the final state atomic probabilities. A few appropriate variational expansions for atomic wave functions of the incident lithium atom and final helium atom and/or tritium negatively charged ion are discussed. It appears that the final ${}^4$He atom arising during the nuclear $(n,{}^{6}$Li; ${}^4$He$,t)$-reaction in the three-electron Li atom can also be created in its triplet states. The formation of the quasi-stable three-electron $e^{-}_3$ during the nuclear $(n; t)-$reaction at the Li atom is briefly discussed. Bremsstrahlung emitted by atomic electrons accelerated by the rapidly moving fragments from this reaction is analyzed. The frequency spectrum of the emitted radiatio...

  8. 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.

  9. 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. ...

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. 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

  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. Explicit expressions and recurrence formulas of radial average value for N-dimensional hydrogen atom

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    In this paper, two recurrence formulas for radial average values of N-dimensional hydrogen atom are derived. Explicit results can be applied to discuss average value of centrifugal potential energy and other physical quantities. The relevant results of the usual hydrogen atom are contained in more general conclusion of this paper as special cases.

  17. General transformation of α cluster model wave function to jj-coupling shell model in various 4N nuclei

    Science.gov (United States)

    Itagaki, N.; Matsuno, H.; Suhara, T.

    2016-09-01

    The antisymmetrized quasi-cluster model (AQCM) is a method to describe transitions from the α cluster wave functions to jj-coupling shell model wave functions. In this model, the cluster-shell transition is characterized by only two parameters: R representing the distance between α clusters and Λ describing the breaking of α clusters. The contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α cluster model wave function. In this article we show the generality of AQCM by extending the application to heavier regions: various 4N nuclei from 4He to 100Sn. The characteristic magic numbers of the jj-coupling shell model, 28 and 50, are described starting with the α cluster model. The competition of two different configurations is discussed in 20Ne (16O + one quasi-cluster and 12C + two quasi-clusters) and 28Si (pentagon shape of five quasi-clusters and 12C + 16O). Also, we compare the energy curves for the α + 40Ca cluster configuration calculated with and without the α breaking effect in 44Ti.

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

    Institute of Scientific and Technical Information of China (English)

    LI YanSong; LONG GuiLu

    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.

  19. 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.

  20. White light emitting diode based on InGaN chip with core/shell quantum dots

    Science.gov (United States)

    Shen, Changyu; Hong, Yan; Ma, Jiandong; Ming, Jiangzhou

    2009-08-01

    Quantum dots have many applications in optoelectronic device such as LEDs for its many superior properties resulting from the three-dimensional confinement effect of its carrier. In this paper, single chip white light-emitting diodes (WLEDs) were fabricated by combining blue InGaN chip with luminescent colloidal quantum dots (QDs). Two kinds of QDs of core/shell CdSe /ZnS and core/shell/shell CdSe /ZnS /CdS nanocrystals were synthesized by thermal deposition using cadmium oxide and selenium as precursors in a hot lauric acid and hexadecylamine trioctylphosphine oxide hybrid. This two kinds of QDs exhibited high photoluminescence efficiency with a quantum yield more than 41%, and size-tunable emission wavelengths from 500 to 620 nm. The QDs LED mainly consists of flip luminescent InGaN chip, glass ceramic protective coating, glisten cup, QDs using as the photoluminescence material, pyroceram, gold line, electric layer, dielectric layer, silicon gel and bottom layer for welding. The WLEDs had the CIE coordinates of (0.319, 0.32). The InGaN chip white-light-emitting diodes with quantum dots as the emitting layer are potentially useful in illumination and display applications.

  1. Atomic structure of threading dislocations in AlN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Tokumoto, Yuki, E-mail: y.tokumoto@imr.tohoku.ac.j [Institute for Materials Research, Tohoku University, 2-1-2, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Shibata, Naoya [Institute of Engineering Innovation, School of Engineering, University of Tokyo, 2-11-16, Yayoi, Bunkyo, Tokyo 113-8656 (Japan); PRESTO, JST, 4-1-8, Honcho, Kawaguchi, Saitama 332-0012 (Japan); Mizoguhci, Teruyasu [Institute of Engineering Innovation, School of Engineering, University of Tokyo, 2-11-16, Yayoi, Bunkyo, Tokyo 113-8656 (Japan); Yamamoto, Takahisa [Department of Advanced Materials Science, Graduate School of Frontier Science, The University of Tokyo, 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8651 (Japan); Ikuhara, Yuichi [Institute of Engineering Innovation, School of Engineering, University of Tokyo, 2-11-16, Yayoi, Bunkyo, Tokyo 113-8656 (Japan); WPI Advanced Institute for Materials Research, Tohoku University, 2-1-2, Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2009-12-15

    The core structure of threading dislocations in AlN films was investigated by atomic-resolution scanning transmission electron microscopy. The threading dislocations in the AlN films were found to be mostly edge-type perfect dislocations. It was directly revealed that the edge dislocation core has the 8-atom ring structure which is an energetically favorable structure predicted by previous theoretical studies.

  2. 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...

  3. New surface-modified solid lipid nanoparticles using N-glutaryl phosphatidylethanolamine as the outer shell

    Directory of Open Access Journals (Sweden)

    Derakhshandeh K

    2011-11-01

    Full Text Available Soheila Kashanian1, Abbas Hemati Azandaryani1, Katayoun Derakhshandeh2,3 1School of Chemistry, Nanoscience and Nanotechnology Research Center and Sensor and Biosensor Research Center, Razi University, 2Department of Pharmaceutics, Kermanshah University of Medical Sciences, 3Nanoscience and Technology Research Center School of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, Iran Background: Solid lipid nanoparticles (SLNs are colloidal carrier systems which provide controlled-release profiles for many substances. In this study, we prepared aqueous dispersions of lipid nanoparticles using a modified, pH-sensitive derivative of phosphatidylethanolamine. Methods: SLNs were prepared using polysorbate 80 as the surfactant and tripalmitin glyceride and N-glutaryl phosphatidylethanolamine as the lipid components. Particle size, polydispersity index, and zeta potential were examined by photon correlation spectroscopy. Morphological evaluation was performed using scanning electron microscopy, atomic force microscopy, and differential scanning calorimetry. Results: Photon correlation spectroscopy revealed a particle hydrodynamic diameter of 165.8 nm and zeta potential of –41.6.0 mV for the drug-loaded nanoparticles. Atomic force microscopy investigation showed the nanoparticles to be 50–600 nm in length and 66.5 nm in height. Differential scanning calorimetry indicated that the majority of SLNs possessed less ordered arrangements of crystals compared with corresponding bulk lipids, which is favorable for improving drug-loading capacity. Drug-loading capacity and drug entrapment efficiency values for the SLNs were 25.32% and 94.32%, respectively. Conclusion: The SLNs prepared in this study were able to control the release of triamcinolone acetonide under acidic conditions. Keywords: solid lipid nanoparticles, high-shear homogenization, triamcinolone acetonide, tripalmitin, phosphatidylethanolamine

  4. Introduction of atomic H into Si3N4/SiO2/Si stacks

    Institute of Scientific and Technical Information of China (English)

    JIN Hao; WEBER K.J.; LI Weitang; BLAKERS A.W.

    2006-01-01

    Atomic H generated by a plasma NH3 source at 400 ℃ was demonstrated to passivate dehydrogenated Si3N4/SiO2/Si stacks effectively by bonding with defectsin the Si3N4 film and at the Si-SiO2 interface. A subsequent anneal in N2 after atomic H reintroduction was demonstrated to further improve passivation of the Si-SiO2 interface. Isothermal and isochronal anneals in N2 were carried out in order to determine the optimized annealing conditions.

  5. Shell evolution of N=20 nuclei and Gamow-Teller strengths of $^{30,32,34}$Mg by the deformed QRPA

    CERN Document Server

    Ha, Eunja

    2013-01-01

    Gamow-Teller (GT) strength distributions of Mg isotopes are investigated within a framework of the deformed quasi-particle random phase approximation(DQRPA). We found that the N=20 shell closure in $^{28 \\sim 34}$Mg was broken by the prolate shape deformation originating from the {\\it fp}-intruder states. The shell closure breaking gives rise to a shift of low-lying GT excited states into high-lying states. Discussions regarding the shell evolution trend of single particle states around N=20 nuclei are also presented with the comparison to other approaches.

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

    CERN Document Server

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

    2015-01-01

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

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

    Directory of Open Access Journals (Sweden)

    He Jr-Hau

    2011-01-01

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

  8. 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.

  9. 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.

  10. 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....

  11. 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)

  12. 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.

  13. Ultraviolet Electroluminescence from ZnS@ZnO Core-Shell Nanowires/p-GaN Introduced by Exciton Localization.

    Science.gov (United States)

    Fang, Xuan; Wei, Zhipeng; Yang, Yahui; Chen, Rui; Li, Yongfeng; Tang, Jilong; Fang, Dan; Jia, Huimin; Wang, Dengkui; Fan, Jie; Ma, Xiaohui; Yao, Bin; Wang, Xiaohua

    2016-01-27

    We investigate the electroluminescence (EL) from light emitting diodes (LEDs) of ZnO nanowires/p-GaN structure and ZnS@ZnO core-shell nanowires/p-GaN structure. With the increase of forward bias, the emission peak of ZnO nanowires/p-GaN structure heterojunction shows a blue-shift, while the ZnS@ZnO core-shell nanowires/p-GaN structure demonstrates a changing EL emission; the ultraviolet (UV) emission at 378 nm can be observed. This discrepancy is related to the localized states introduced by ZnS particles, which results in a different carrier recombination process near the interfaces of the heterojunction. The localized states capture the carriers in ZnO nanowires and convert them to localized excitons under high forward bias. A strong UV emission due to localized excitons can be observed. Our results indicated that utilizing localized excitons should be a new route toward ZnO-based ultraviolet LEDs with high efficiency.

  14. 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.

  15. 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...

  16. 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.

  17. Is it possible to embed a 4D, N=4 supersymmetric vector multiplet within a completely off-shell adinkra hologram?

    Energy Technology Data Exchange (ETDEWEB)

    Calkins, Mathew; Gates, D.E.A.; Gates, Sylvester James Jr.; McPeak, Brian [Center for String and Particle Theory, Department of Physics, University of Maryland,College Park, MD 20742-4111 (United States)

    2014-05-13

    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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. Band engineered epitaxial 3D GaN-InGaN core-shell rod arrays as an advanced photoanode for visible-light-driven water splitting.

    Science.gov (United States)

    Caccamo, Lorenzo; Hartmann, Jana; Fàbrega, Cristian; Estradé, Sonia; Lilienkamp, Gerhard; Prades, Joan Daniel; Hoffmann, Martin W G; Ledig, Johannes; Wagner, Alexander; Wang, Xue; Lopez-Conesa, Lluis; Peiró, Francesca; Rebled, José Manuel; Wehmann, Hergo-Heinrich; Daum, Winfried; Shen, Hao; Waag, Andreas

    2014-02-26

    3D single-crystalline, well-aligned GaN-InGaN rod arrays are fabricated by selective area growth (SAG) metal-organic vapor phase epitaxy (MOVPE) for visible-light water splitting. Epitaxial InGaN layer grows successfully on 3D GaN rods to minimize defects within the GaN-InGaN heterojunctions. The indium concentration (In ∼ 0.30 ± 0.04) is rather homogeneous in InGaN shells along the radial and longitudinal directions. The growing strategy allows us to tune the band gap of the InGaN layer in order to match the visible absorption with the solar spectrum as well as to align the semiconductor bands close to the water redox potentials to achieve high efficiency. The relation between structure, surface, and photoelectrochemical property of GaN-InGaN is explored by transmission electron microscopy (TEM), electron energy loss spectroscopy (EELS), Auger electron spectroscopy (AES), current-voltage, and open circuit potential (OCP) measurements. The epitaxial GaN-InGaN interface, pseudomorphic InGaN thin films, homogeneous and suitable indium concentration and defined surface orientation are properties demanded for systematic study and efficient photoanodes based on III-nitride heterojunctions. PMID:24517402

  3. 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

  4. 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.

  5. 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.

  6. Atomic resolution imaging of precipitate transformation from cubic TaN to tetragonal CrTaN

    DEFF Research Database (Denmark)

    Danielsen, Hilmar Kjartansson; Hald, John; Somers, Marcel A. J.

    2012-01-01

    In 9–12% Cr creep-resistant steels Cr(V,Nb,Ta)N Z-phase is known to replace metastable (V,Nb,Ta)N MN precipitates at high temperatures. The precipitation process of Z-phase does not follow the classical nucleation theory, where dissolving MN particles provide constituents for Z-phase nucleation...... in the matrix. Using atomic resolution transmission electron microscopy, the current work demonstrates that metastable cubic TaN precipitates in a complex steel gradually transform compositionally and crystallographically into stable tetragonal CrTaN precipitates under the influence of Cr indiffusion from...

  7. Atomic Quantum Simulation of U(N) and SU(N) Non-Abelian Lattice Gauge Theories

    OpenAIRE

    Banerjee D.; Bogli M.; Dalmonte M.; Rico E.; Stebler P.; Wiese U.-J.; Zoller P.

    2012-01-01

    Using ultracold alkaline-earth atoms in optical lattices, we construct a quantum simulator for U(N) and SU(N) lattice gauge theories with fermionic matter based on quantum link models. These systems share qualitative features with QCD, including chiral symmetry breaking and restoration at non-zero temperature or baryon density. Unlike classical simulations, a quantum simulator does not suffer from sign problems and can address the corresponding chiral dynamics in real time.

  8. 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.

  9. 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.

  10. 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.

  11. Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

    2016-08-26

    A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. PMID:27491018

  12. Production of radon and thorium isotopes near N=126 shell closure in 48Ca and 54Cr induced fusion reactions on 162Dy

    Science.gov (United States)

    Mayorov, Dmitriy; Werke, Tyler; Alfonso, Marisa; Folden, Charles

    2012-03-01

    Production of spherical evaporation residues (EVRs) near N=126 shell in 48Ca and 54Cr induced reactions on a 162Dy target was investigated at the Texas A&M University Cyclotron Institute using the vacuum separator MARS. For the 54Cr+162Dy reaction, only upper limits for the 4n exit-channel cross section were measured; this can be attributed to a sizably increased fissility of the 216Th compound nucleus relative to 210Rn formed in the 48Ca bombardment. A factor of > 7300 separates the production cross sections of the 4n EVRs from each reaction. A semi-empirical estimate of the lower limit on the fusion probability, PCN, ratio between the two heavy ion projectiles is PCN(48Ca+162Dy)/PCN(54Cr+162Dy) > 1.2. Investigation of spherical nuclei produced by heavy ion fusion reactions is of current interest due to efforts to synthesize superheavy nuclei near Z=120, N=184 nucleon shells. EVRs produced near the N=126 shell closure have previously revealed surprisingly low survival probabilities despite stabilization from shell effects. Similarly, enhancement of the fission channel in the de-excitation cascade of 210Rn and 216Th is observed in this work and this result can be well modeled by the inclusion of collective effects into the statistical decay of excited nuclei calculations. These results suggest that cross sections for production of superheavy nuclei near predicted Z=120, N=184 closed shells may be small regardless of the anticipated strong shell effects.

  13. 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.

  14. 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.

  15. 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.

  16. 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).

  17. 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.

  18. Four kinds of raising and lowering operators of n-dimensional hydrogen atom and isotropic harmonic oscillator

    Institute of Scientific and Technical Information of China (English)

    刘宇峰; 曾谨言

    1997-01-01

    The factorization of the radial Schrodinger equation of n-dimensional (n≥2) hydrogen atoms and isotropic harmonic oscillators was investigated and four kinds of raising and lowering operators were derived.The relation between n -dimensional (n≥2) and one-dimensional hydrogen atoms and harmonic oscillators was discussed.

  19. 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.

  20. 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

  1. 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.

  2. 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)].

  3. 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.

  4. 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.

  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. 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

  7. 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.

  8. Cold collisions of N atoms and NH molecules in magnetic fields

    CERN Document Server

    Zuchowski, Piotr S \\

    2010-01-01

    We calculate the interaction potential between N atoms and NH molecules and use it to investigate cold and ultracold collisions important for sympathetic cooling. The ratio of elastic to inelastic cross sections is large over a wide range of collision energy and magnetic field for most isotopic combinations, so that sympathetic cooling of NH molecules by N atoms is a good prospect. However, there are important effects due to a p-wave shape resonance that may inhibit cooling in some cases. We show that scaling the reduced mass used in the collision is approximately equivalent to scaling the interaction potential. We then explore the dependence of the scattering properties on the reduced mass and explain the resonant effects observed using angular-momentum-insensitive quantum defect theory

  9. 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

  10. Sensitivity of Λ single-particle energies to the ΛN spin-orbit coupling and to nuclear core structure in p-shell and sd-shell hypernuclei

    Science.gov (United States)

    Veselý, P.; Hiyama, E.; Hrtánková, J.; Mareš, J.

    2016-10-01

    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 Λ hypernuclei - 13ΛC, 17ΛO, 21ΛNe, 29ΛSi and 41ΛCa. The hypernuclear spectra are compared with the results of a relativistic mean field (RMF) model and available experimental data. The sensitivity of Λ single-particle energies to the nuclear core structure is explored. Special attention is paid to the effect of spin-orbit ΛN interaction on the energy splitting of the Λ 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.

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. Anomalous N-glycan structures with an internal fucose branched to GlcA and GlcN residues isolated from a mollusk shell-forming fluid.

    Science.gov (United States)

    Zhou, Hui; Hanneman, Andrew J; Chasteen, N Dennis; Reinhold, Vernon N

    2013-10-01

    This report describes the structural details of a unique N-linked valence epitope on the major protein within the extrapallial (EP) fluid of the mollusk, Mytilus edulis. Fluids from this area are considered to be responsible for shell expansion by a self-assembly process that provides an organic framework for the growth of CaCO3 crystals. Previous reports from our laboratories have described the purification and amino acid sequence of this EP protein, which was found to be a glycoprotein (EPG) of approximately 28 KDa with 14.3% carbohydrate on a single N-linked consensus site. Described herein is the de novo sequence of the major glycan and its glycomers. The sequence was determined by ion trap sequential mass spectrometry (ITMS(n)) resolving structure by tracking precursor-product relationships through successive rounds of collision induced disassociation (CID), thereby spatially resolving linkage and branching details within the confines of the ion trap. Three major glycomers were detected, each possessing a 6-linked fucosylated N-linked core. Two glycans possessed four and five identical antennae, while the third possessed four antennas, but with an additional methylfucose 2-linked to the glucuronic acid moiety, forming a pentasaccharide. The tetrasaccharide structure was: 4-O-methyl-GlcA(1-4)[GlcNAc(1-3)]Fuc(1-4)GlcNAc, while the pentasaccharide was shown to be as follows: mono-O-methyl-Fuc(1-2)-4-O-methyl-GlcA(1-4)[GlcNAc(1-3)]Fuc(1-4)GlcNAc. Samples were differentially deuteriomethylated (CD3/CH3) to localize indigenous methylation, further analyzed by high resolution mass spectrometry (HRMS) to confirm monomer compositions, and finally gas chromatography mass spectrometry (GC-MS) to assign structural and stereoisomers. The interfacial shell surface location of this major extrapallial glycoprotein, its calcium and heavy metal binding properties and unique structure suggests a probable role in shell formation and possibly metal ion detoxification. A closely

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. 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%.

  1. 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.

  2. 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.

  3. 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 ...

  4. 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.)

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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...

  14. 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.)

  15. 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

  16. 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)

  17. 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.

  18. 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

  19. 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...

  20. Measurement of K-Shell Ionization Cross Sections of Cr, Ni and Cu Atoms by 7.5-25 keV Electron Impact

    Institute of Scientific and Technical Information of China (English)

    安竹; 唐昶环; 罗正明

    2001-01-01

    The K-shell ionization cross sections of Cr, Ni and Cu elements by 7.5-25 keV electron impact have been measured.The experimental data have also been compared with the theoretical predictions of the Hippler and Mayol-Salvat models. In general, it seems that the Mayol-Salvat model can provide a better description to our experimental data.

  1. Radiative vacancies decay of endohedral atoms

    Science.gov (United States)

    Amusia, Miron; Baltenkov, Arkadiy

    2006-05-01

    It is demonstrated that the fulleren shell affects dramatically the radiative vacancy decay of an endohedral atom A@C60. It also adds new possibilities to radiative and non-radiative decay by opening a number of new interchannel decays similar to that in ordinary atoms where initial and final state vacancies almost always belong to different subshells. We demonstrate that the radiative width of a vacancy decay due to electron transition in the atom A in A@C60 acquire an additional factor that can be expressed via the polarizability of the C60 at transition energy. In general, it can not only enhance but also totally lock the radiative decay channel. For vacancies in subvalent shells of noble gas atoms N the non-radiative decay is forbidden. For N@C60 this decay is allowed since can proceed due to transition of fulleren shell electron to the vacancy in N. Corresponding width is expressed via the C60 total photoabsorption cross-section at the transition energy.

  2. 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)

  3. Stimulated emission and multi-peaked absorption in a four level N-type atom

    Institute of Scientific and Technical Information of China (English)

    Wang Kai; Gu Ying; Gong Qi-Huang

    2007-01-01

    Absorption and refrtion of the inner transition F2 (→) F3 of the closed four level N-type atom have been investigated under a weak field. The outer transitions F1 (→) F3 and F2 (→) F4 are resonantly interacted with drive field with frequency ωc and Rabi frequency Ωc, and saturation field with ωs and Ωs, respectively. For the suitable Rabi frequencies Ωc and Ωs, we obtain the Mollow absorption spectrum of probe field. The reason is that the drive field excites the atom to the upper level F3 and simultaneously the saturation field takes the atom out of the lower level F2, leading to the stimulated emission. Meanwhile, due to the dynamic energy splitting induced by the drive and saturation fields, the two- and four-peaked absorption spectra are observed. At the zero off-resonance detuning of probe field, we also find the transfer of dispersion from negative to positive with an increment of Ωs. Finally, the refractive index enhancement is predicted for a wide spectral region.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

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

    Institute of Scientific and Technical Information of China (English)

    Zhenghe Zhu; Yongjian Tang

    2011-01-01

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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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...

  15. 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

  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. Synthesis and photocatalytic degradation of methylene blue over p-n junction Co{sub 3}O{sub 4}/ZnO core/shell nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Chengjun; Xiao, Xuechun; Chen, Gang; Guan, Hongtao; Wang, Yude, E-mail: ydwang@ynu.edu.cn

    2015-04-01

    One-dimension (1D) Co{sub 3}O{sub 4}/ZnO core/shell nanorods (NRs) were synthesized on nickel foil substrate by means of a two-step synthetic strategy. Co{sub 3}O{sub 4} NRs were initially fabricated by a facile hydrothermal reaction and then ZnO was coated via a simple thermal decomposition. The results verified that the surface of the p-type Co{sub 3}O{sub 4} core was uniformly assembled by the n-type ZnO nanoparticles with approximate 20 nm thickness. Compared with pristine Co{sub 3}O{sub 4} NRs, Co{sub 3}O{sub 4}/ZnO core/shell NRs was exhibited to have a much higher photocatalytic properties in the decomposition of a model dye compound, methylene blue (MB), under ultraviolet irradiation. As confirmed by Photoluminescence (PL) spectra, the formation of p-n junction heterostructures gives rise to the enhanced photocatalystic performance of Co{sub 3}O{sub 4}/ZnO core/shell NRs. This study provides a general and effective method in the fabrication of 1D composition NRs with sound heterojunctions that show remarkable enhancement of photocatalytic performance. - Highlights: • 1D Co{sub 3}O{sub 4}/ZnO core/shell NRs were synthesized on nickel foil by a two-step synthetic strategy. • The thickness of ZnO coating is determined to be about 20 nm. • Co{sub 3}O{sub 4}/ZnO NRs exhibited better photocatalytic performance for MB degradation under UV irradiation. • The formation of p-n junctions confirmed by PL is a critical factor for photocatalytic enhancement. • The working mechanism for Co{sub 3}O{sub 4}/ZnO NRs as photocatalyst was proposed.

  18. Light-induced changes in magnetism in a coordination polymer heterostructure, Rb0.24Co[Fe(CN)6]0.74@K0.10Co[Cr(CN)6]0.70·nH2O and the role of the shell thickness on the properties of both core and shell.

    Science.gov (United States)

    Risset, Olivia N; Quintero, Pedro A; Brinzari, Tatiana V; Andrus, Matthew J; Lufaso, Michael W; Meisel, Mark W; Talham, Daniel R

    2014-11-01

    Particles of formula Rb0.24Co[Fe(CN)6]0.74@K0.10Co[Cr(CN)6]0.70·nH2O with a light-responsive rubidium cobalt hexacyanoferrate (RbCoFe) core and a magnetic potassium cobalt hexacyanochromate (KCoCr) shell have been prepared and exhibit light-induced changes in the magnetization of the normally light-insensitive KCoCr shell, a new property resulting from the synergy between the core and shell of a coordination polymer heterostructure. A single batch of 135 ± 12 nm RbCoFe particles are used as seeds to generate three different core@shell samples, with KCoCr shell thicknesses of approximately 11, 23 and 37 nm, to probe the influence of the shell thickness over the particles' morphology and structural and magnetic properties. Synchrotron powder X-ray diffraction reveals that structural changes in the shell accompany the charge transfer induced spin transition (CTIST) of the core, giving direct evidence that the photomagnetic response of the shell is magnetomechanical in origin. The depth to which the KCoCr shell contributes to changes in magnetization is estimated to be approximately 24 nm when using a model that assumes a constant magnetic response of the core within the series of particles. In turn, the presence of the shell changes the nature of the CTIST of the core. As opposed to the usually observed first order transition exhibiting hysteresis, the CTIST becomes continuous in the core@shell particles. PMID:25286151

  19. Sealing of hard CrN and DLC coatings with atomic layer deposition.

    Science.gov (United States)

    Härkönen, Emma; Kolev, Ivan; Díaz, Belén; Swiatowska, Jolanta; Maurice, Vincent; Seyeux, Antoine; Marcus, Philippe; Fenker, Martin; Toth, Lajos; Radnoczi, György; Vehkamäki, Marko; Ritala, Mikko

    2014-02-12

    Atomic layer deposition (ALD) is a thin film deposition technique that is based on alternating and saturating surface reactions of two or more gaseous precursors. The excellent conformality of ALD thin films can be exploited for sealing defects in coatings made by other techniques. Here the corrosion protection properties of hard CrN and diamond-like carbon (DLC) coatings on low alloy steel were improved by ALD sealing with 50 nm thick layers consisting of Al2O3 and Ta2O5 nanolaminates or mixtures. In cross sectional images the ALD layers were found to follow the surface morphology of the CrN coatings uniformly. Furthermore, ALD growth into the pinholes of the CrN coating was verified. In electrochemical measurements the ALD sealing was found to decrease the current density of the CrN coated steel by over 2 orders of magnitude. The neutral salt spray (NSS) durability was also improved: on the best samples the appearance of corrosion spots was delayed from 2 to 168 h. On DLC coatings the adhesion of the ALD sealing layers was weaker, but still clear improvement in NSS durability was achieved indicating sealing of the pinholes.

  20. Substitutions of Fluorine Atoms and Phenoxy Groups in the Synthesis of Quinoxaline 1,4-di-N-oxide Derivatives

    Directory of Open Access Journals (Sweden)

    Antonio Monge

    2008-01-01

    Full Text Available The unexpected substitution of fluorine atoms and phenoxy groups attached toquinoxaline or benzofuroxan rings is described. The synthesis of 2-benzyl- and 2-phenoxy-3-methylquinoxaline 1,4-di-N-oxide derivatives was based on the classical Beirut reaction.The tendency of fluorine atoms linked to quinoxaline or benzofuroxan rings to be replacedby a methoxy group when dissolved in an ammonia saturated solution of methanol wasclearly demonstrated. In addition, 2-phenoxyquinoxaline 1,4-di-N-oxide derivativesbecame 2-aminoquinoxaline 1,4-di-N-oxide derivatives in the presence of gaseousammonia.

  1. Shell supports

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2004-01-01

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

  2. 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.

  3. 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)

  4. 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...

  5. Forbidden 2 P- nP and 2 P- nF transitions in the energy spectrum of ultracold Rydberg lithium-7 atoms

    Science.gov (United States)

    Zelener, B. B.; Saakyan, S. A.; Sautenkov, V. A.; Manykin, E. A.; Zelener, B. V.; Fortov, V. E.

    2016-04-01

    Forbidden 2 P- nP and 2 P- nF transitions in the ranges of the principal quantum number n = 42-114 and n = 38-48 have been detected in the optical spectra of ultracold highly excited lithium-7 atoms. The presence of forbidden transitions is due to induced external electric fields. The quantum defects and ionization energy obtained in various experiments and predicted theoretically have been discussed.

  6. 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.

  7. 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

  8. HPAM: Hirshfeld partitioned atomic multipoles

    Science.gov (United States)

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

    2012-02-01

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

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.)

  15. 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

  16. Atomic Layer Deposition of Silicon Nitride from Bis(tert-butylamino)silane and N2 Plasma.

    Science.gov (United States)

    Knoops, Harm C M; Braeken, Eline M J; de Peuter, Koen; Potts, Stephen E; Haukka, Suvi; Pore, Viljami; Kessels, Wilhelmus M M

    2015-09-01

    Atomic layer deposition (ALD) of silicon nitride (SiNx) is deemed essential for a variety of applications in nanoelectronics, such as gate spacer layers in transistors. In this work an ALD process using bis(tert-butylamino)silane (BTBAS) and N2 plasma was developed and studied. The process exhibited a wide temperature window starting from room temperature up to 500 °C. The material properties and wet-etch rates were investigated as a function of plasma exposure time, plasma pressure, and substrate table temperature. Table temperatures of 300-500 °C yielded a high material quality and a composition close to Si3N4 was obtained at 500 °C (N/Si=1.4±0.1, mass density=2.9±0.1 g/cm3, refractive index=1.96±0.03). Low wet-etch rates of ∼1 nm/min were obtained for films deposited at table temperatures of 400 °C and higher, similar to that achieved in the literature using low-pressure chemical vapor deposition of SiNx at >700 °C. For novel applications requiring significantly lower temperatures, the temperature window from room temperature to 200 °C can be a solution, where relatively high material quality was obtained when operating at low plasma pressures or long plasma exposure times.

  17. 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...

  18. 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.

  19. 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).

  20. 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.

  1. Optimized Anti-pathogenic Agents Based on Core/Shell Nanostructures and 2-((4-Ethylphenoxyethyl-N-(substituted-phenylcarbamothioyl-benzamides

    Directory of Open Access Journals (Sweden)

    Mariana Carmen Chifiriuc

    2012-10-01

    Full Text Available The purpose of this study was to design a new nanosystem for catheter surface functionalization with an improved resistance to Staphylococcus aureus ATCC 25923 and Pseudomonas aeruginosa ATCC 27853 colonization and subsequent biofilm development. New 2-((4 ethylphenoxymethyl-N-(substituted-phenylcarbamothioyl-benzamides were synthesized and used for coating a core/shell nanostructure. Their chemical structures were elucidated by NMR, IR and elemental analysis, being in agreement with the proposed ones. Fe3O4/C12 of up to 5 nm size had been synthesized with lauric acid as a coating agent and characterized by XRD, FT-IR, TGA, TEM and biological assays. The catheter pieces were coated with the fabricated nanofluid in magnetic field. The microbial adherence ability was investigated in 6 multiwell plates by using culture based methods and Scanning Electron Microscopy (SEM. The nanoparticles coated with the obtained compounds 1a–c inhibited the adherence and biofilm development ability of the S. aureus and P. aeruginosa tested strains on the catheter functionalized surface, as shown by the reduction of viable cell counts and SEM examination of the biofilm architecture. Using the novel core/shell/adsorption-shell to inhibit the microbial adherence could be of a great interest for the biomedical field, opening new directions for the design of film-coated surfaces with improved anti-biofilm properties.

  2. Solving the scattering of N photons on a two-level atom without computation

    Science.gov (United States)

    Roulet, Alexandre; Scarani, Valerio

    2016-09-01

    We propose a novel approach for solving the scattering of light onto a two-level atom coupled to a one-dimensional waveguide. First we express the physical quantity of interest in terms of Feynman diagrams and treat the atom as a non-saturable linear beamsplitter. By using the atomic response to our advantage, a relevant substitution is then made that captures the nonlinearity of the atom, and the final result is obtained in terms of simple integrals over the initial incoming wavepackets. The procedure is not limited to post-scattering quantities and allows for instance to derive the atomic excitation during the scattering event.

  3. 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.

  4. 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

  5. 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}.

  6. A Simple Synthesis of an N-Doped Carbon ORR Catalyst: Hierarchical Micro/Meso/Macro Porosity and Graphitic Shells.

    Science.gov (United States)

    Eisenberg, David; Stroek, Wowa; Geels, Norbert J; Sandu, Cosmin S; Heller, Adam; Yan, Ning; Rothenberg, Gadi

    2016-01-11

    Replacing platinum as an oxygen reduction catalyst is an important scientific and technological challenge. Herein we report a simple synthesis of a complex carbon with very good oxygen reduction reaction (ORR) activity at pH 13. Pyrolysis of magnesium nitrilotriacetate yields a carbon with hierarchical micro/meso/macro porosity, resulting from in situ templating by spontaneously forming MgO nanoparticles and from etching by pyrolysis gases. The mesopores are lined with highly graphitic shells. The high ORR activity is attributed to a good balance between high specific surface area and mass transport through the hierarchical porosity, and to improved electronic conductivity through the graphitic shells. This novel carbon has a high surface area (1320 m(2) g(-1) ), and high nitrogen content for a single precursor synthesis (∼6 %). Importantly, its synthesis is both cheap and easily scalable.

  7. 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.

  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. 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.

  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 governed by an interplay of the electronic and geometry shell closures. Influence of the electronic shell effects on structural rearrangements can lead to violation of the icosahedral growth motif of strontium clusters. It is shown that the excessive charge essentially affects the optimized geometry...

  11. 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

  12. 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.

  13. 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.

  14. 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...

  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. 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.

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

    Science.gov (United States)

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

    2015-01-27

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

  18. 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.)

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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

    2016-03-01

    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.

  5. 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

  6. 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.

  7. 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.

  8. A study of GaN MOSFETs with atomic-layer-deposited Al2O3 as the gate dielectric

    Institute of Scientific and Technical Information of China (English)

    Feng Qian; Xing Tao; Wang Qiang; Feng Qing; Li Qian; Bi Zhi-Wei; Zhang Jin-Cheng; Hao Yue

    2012-01-01

    Accumulation-type GaN metal-oxide-semiconductor field-effect transistors (MOSFETs) with atomic-layerdeposited Al2O3 gate dielectrics are fabricated.The device,with atomic-layer-deposited Al2O3 as the gate dielectric,presents a drain current of 260 mA/mm and a broad maximum transconductance of 34 mS/mm,which are better than those reported previously with Al2O3 as the gate dielectric.Furthermore,the device shows negligible current collapse in a wide range of bias voltages,owing to the effective passivation of the GaN surface by the Al2O3 film.The gate drain breakdown voltage is found to be about 59.5 V,and in addition the channel mobility of the n-GaN layer is about 380 cm2/Vs,which is consistent with the Hall result,and it is not degraded by atomic-layer-deposition Al2Oa growth and device fabrication.

  9. 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.

  10. A new N-hydroxyethyliminodiacetic acid modified core-shell silica phase for chelation ion chromatography of alkaline earth, transition and rare earth elements.

    Science.gov (United States)

    McGillicuddy, Nicola; Nesterenko, Ekaterina P; Nesterenko, Pavel N; Stack, Elaine M; Omamogho, Jesse O; Glennon, Jeremy D; Paull, Brett

    2013-12-20

    Bare core-shell silica (1.7μm) has been modified with iminodiacetic acid functional groups via standard silane chemistry, forming a new N-hydroxyethyliminodiacetic acid (HEIDA) functionalised core-shell stationary phase. The column was applied in high-performance chelation ion chromatography and evaluated for the retention of alkaline earth, transition and heavy metal cations. The influence of nitric acid eluent concentration, addition of complexing agent dipicolinic acid, eluent pH and column temperature on the column performance was investigated. The efficiencies obtained for transition and heavy metal cations (and resultant separations) were comparable or better than those previously obtained for alternative fully porous silica based chelation stationary phases, and a similarly modified monolithic silica column, ranging from ∼15 to 56μm HETP. Increasing the ionic strength of the eluent with the addition of KNO3 (0.75M) and increasing the column temperature (70°C) facilitated the isocratic separation of a mixture of 14 lanthanides and yttrium in under 12min, with HETP averaging 18μm (7μm for Ce(III)).

  11. 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

  12. 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.

  13. 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

  14. 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.

  15. Shell corrections in stopping powers

    Science.gov (United States)

    Bichsel, H.

    2002-05-01

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

  16. Impact of Ti/Al atomic ratio on the formation mechanism of non-recessed Au-free Ohmic contacts on AlGaN/GaN heterostructures

    Science.gov (United States)

    Constant, A.; Baele, J.; Coppens, P.; Qin, W.; Ziad, H.; De Backer, E.; Moens, P.; Tack, M.

    2016-09-01

    The formation mechanism of non-recessed Au-free Ohmic contacts on the AlGaN/GaN heterostructures is investigated for various Ti/Al atomic ratios (Al-rich versus Ti-rich) and annealing temperatures ranging from 500 to 950 °C. It is shown that Ti/Al atomic ratio is the key parameter defining the optimum annealing temperature for Ohmic contact formation. Ti-rich contacts processed at high temperature result in low contact resistance ˜0.7 Ω mm, better to those obtained at low temperature or with Al-rich metal stacks. The variation of the contact resistance with Ti/Al atomic ratio and annealing temperature is correlated with the intermetallic phase changes and interfacial reaction. Depending on the Ti/Al atomic ratio, two distinct mechanisms can be distinguished. For a small quantity of Ti (e.g., Al-rich contacts), Ohmic contact formation is done through a weak interfacial reaction which is nonexistent at high temperature due to the degradation of the metal morphology. However, for a quantity of Ti higher than 25 at. % (e.g., Ti-rich contacts), the agglomeration is delayed by 200 °C as compared to Al-rich contacts, and optimal contacts are formed at high temperature through a strong interfacial reaction.

  17. Observation of a ns isomeric state in sup 4 sup 5 Ar. How the break up of the N 28 shell takes place

    CERN Document Server

    Dombrádi, Z; Timar, J; Elekes, Z; Azaiez, F; Sorlin, O; Amorini, F; Baiborodin, D; Bauchet, A; Becker, F

    2003-01-01

    Strength of the N=28 shell closure at Z=18 has been investigated by in-beam gamma-spectroscopic study of the sup 4 sup 5 sup , sup 4 sup 6 sub 1 sub 8 Ar sub 2 sub 7 sub , sub 2 sub 8 nuclei. In the experiment a sup 4 sup 8 Ca sup 2 sup 0 sup + beam of 60.3 MeV x A energy and 15 enA intensity was fragmented on a sup 9 Be target of 2.76 mg/cm sup 2 thickness. approx 1.1 x 10 sup 5 sup 4 sup 5 Ar and approx 2.7 x 10 sup 5 sup 4 sup 6 Ar nuclei were produced during the experiment. (R.P.)

  18. 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.

  19. 113Cd Shielding Tensors of Monomeric Cadmium Compounds Containing Nitrogen Donor Atoms. 3. CP/MAS Studies on Five-Coordinate Cadmium Complexes Having N(3)X(2) (X = H, N, O, and S) Donor Atoms.

    Science.gov (United States)

    Lipton, Andrew S.; Mason, Scott S.; Myers, Sheila M.; Reger, Daniel L.; Ellis, Paul D.

    1996-11-20

    The principal elements of the (113)Cd shielding tensor for a set of five- coordinate compounds having mixed donor atoms coordinating to the cadmium were determined via CP/MAS NMR experiments. The first complex, [HB(3,5-Me(2)pz)(3)]CdBH(4) (where pz = pyrazolyl), has a CdN(3)H(2) inner coordination sphere. The isotropic chemical shift in the solid state is 355.1 ppm, and its chemical shift anisotropy (CSA, Deltasigma) is -596 ppm with an asymmetry parameter (eta) of 0.64. The second complex, [HB(3,5-Me(2)pz)(3)]Cd[H(2)B(pz)(2)], has five nitrogen donor atoms bonded to the cadmium. This N(5) or N(3)N(2) compound was the only material of this study to manifest dipolar splitting of the cadmium resonance from the quadrupolar (14)N. The isotropic chemical shift, CSA, and the value of eta for this material were therefore determined at higher field where the dipolar splitting was less than the linewidth, yielding values of 226.6 ppm, -247 ppm, and 0.32, respectively. A second N(5) material, [HB(3-Phpz)(3)]Cd[H(2)B(3,5-Me(2)pz)(2)], was also investigated and has an isotropic shift of 190.2 ppm, a CSA of 254 ppm, and an eta of 0.86. Also studied was [HB(3-Phpz)(3)]Cd[(Bu(t)CO)(2)CH], which has an CdN(3)O(2) inner core. The isotropic chemical shift of this complex is 173.6 ppm, and the values of Deltasigma and eta were determined to be -258 ppm and 0.38, respectively. The final compound, [HB(3,5-Me(2)pz)(3)]Cd[S(2)CNEt(2)], with N(3)S(2) donor atoms, has an isotropic shift of 275.8 ppm, an eta of 0.51, and a CSA of +375 ppm. Utilizing previous assignments, the most shielded tensor element was determined to be oriented normal to the plane of the tridentate ligand. The shielding tensor information is used to speculate on the coordination geometry of the CdN(3)O(2) inner core complex. PMID:11666894

  20. 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。

  1. 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

  2. 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...

  3. 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.

  4. 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

  5. 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

  6. Atomically thin layers of B-N-C-O with tunable composition.

    Science.gov (United States)

    Ozturk, Birol; de-Luna-Bugallo, Andres; Panaitescu, Eugen; Chiaramonti, Ann N; Liu, Fangze; Vargas, Anthony; Jiang, Xueping; Kharche, Neerav; Yavuzcetin, Ozgur; Alnaji, Majed; Ford, Matthew J; Lok, Jay; Zhao, Yongyi; King, Nicholas; Dhar, Nibir K; Dubey, Madan; Nayak, Saroj K; Sridhar, Srinivas; Kar, Swastik

    2015-07-01

    In recent times, atomically thin alloys of boron, nitrogen, and carbon have generated significant excitement as a composition-tunable two-dimensional (2D) material that demonstrates rich physics as well as application potentials. The possibility of tunably incorporating oxygen, a group VI element, into the honeycomb sp(2)-type 2D-BNC lattice is an intriguing idea from both fundamental and applied perspectives. We present the first report on an atomically thin quaternary alloy of boron, nitrogen, carbon, and oxygen (2D-BNCO). Our experiments suggest, and density functional theory (DFT) calculations corroborate, stable configurations of a honeycomb 2D-BNCO lattice. We observe micrometer-scale 2D-BNCO domains within a graphene-rich 2D-BNC matrix, and are able to control the area coverage and relative composition of these domains by varying the oxygen content in the growth setup. Macroscopic samples comprising 2D-BNCO domains in a graphene-rich 2D-BNC matrix show graphene-like gate-modulated electronic transport with mobility exceeding 500 cm(2) V(-1) s(-1), and Arrhenius-like activated temperature dependence. Spin-polarized DFT calculations for nanoscale 2D-BNCO patches predict magnetic ground states originating from the B atoms closest to the O atoms and sizable (0.6 eV thin platform.

  7. Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms

    Directory of Open Access Journals (Sweden)

    Oscar Martínez-Santiago

    2016-05-01

    Full Text Available 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.

  8. 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

  9. Acrylamide Homopolymers and Acrylamide-N-Isopropylacrylamide Block Copolymers by Atomic Transfer Radical Polymerization in Water

    NARCIS (Netherlands)

    Wever, D. A. Z.; Raffa, P.; Picchioni, F.; Broekhuis, A. A.

    2012-01-01

    Atomic transfer radical polymerization (ATRP) of acrylamide has been accomplished in aqueous media at room temperature. By using methyl 2-chloropropionate (MeClPr) as the initiator and tris[2-(dimethylamino)ethyl]-amine (Me6TREN)/copper halogenide (CuX) as the catalyst system, different linear polya

  10. Indium clustering in a-plane InGaN quantum wells as evidenced by atom probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Fengzai; Zhu, Tongtong; Oehler, Fabrice; Fu, Wai Yuen; Griffiths, James T.; Massabuau, Fabien C.-P.; Kappers, Menno J.; Oliver, Rachel A., E-mail: rao28@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Martin, Tomas L.; Bagot, Paul A. J.; Moody, Michael P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

    2015-02-16

    Atom probe tomography (APT) has been used to characterize the distribution of In atoms within non-polar a-plane InGaN quantum wells (QWs) grown on a GaN pseudo-substrate produced using epitaxial lateral overgrowth. Application of the focused ion beam microscope enabled APT needles to be prepared from the low defect density regions of the grown sample. A complementary analysis was also undertaken on QWs having comparable In contents grown on polar c-plane sample pseudo-substrates. Both frequency distribution and modified nearest neighbor analyses indicate a statistically non-randomized In distribution in the a-plane QWs, but a random distribution in the c-plane QWs. This work not only provides insights into the structure of non-polar a-plane QWs but also shows that APT is capable of detecting as-grown nanoscale clustering in InGaN and thus validates the reliability of earlier APT analyses of the In distribution in c-plane InGaN QWs which show no such clustering.

  11. 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

  12. Disilicon complexes with two hexacoordinate Si atoms: paddlewheel-shaped isomers with (ClN4 )Si-Si(S4 Cl) and (ClN2 S2 )Si-Si(S2 N2 Cl) skeletons.

    Science.gov (United States)

    Wagler, Jörg; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben

    2013-10-11

    The reaction of 1-methyl-3-trimethylsilylimidazoline-2-thione with hexachlorodisilane proceeds toward substitution of four of the disilane Cl atoms during the formation of disilicon complexes with two neighboring hexacoordinate Si atoms. The N,S-bidentate methimazolide moieties adopt a buttressing role, thus forming paddlewheel-shaped complexes of the type ClSi(μ-mt)4 SiCl (mt=methimazolyl). Most interestingly, three isomers (i.e., with (ClN4 )SiSi(S4 Cl), (ClN3 S)SiSi(S3 NCl), and (ClN2 S2 )SiSi(S2 N2 Cl) skeletons as so-called (4,0), (3,1), and cis-(2,2) paddlewheels) were detected in solution by using (29) Si NMR spectroscopic analysis. Two of these isomers could be isolated as crystalline solids, thus allowing their molecular structures to be analyzed by using X-ray diffraction studies. In accord with time-dependent NMR spectroscopy, computational analyses proved the cis-(2,2) isomer with a (ClN2 S2 )SiSi(S2 N2 Cl) skeleton to be the most stable. The compounds presented herein are the first examples of crystallographically evidenced disilicon complexes with two SiSi-bonded octahedrally coordinated Si atoms and representatives of the still scarcely explored class of Si coordination compounds with sulfur donor atoms.

  13. 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.

  14. 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.

  15. Study of GaN MOS-HEMT using ultrathin Al2O3 dielectric grown by atomic layer deposition

    Institute of Scientific and Technical Information of China (English)

    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 AlGaN/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.

  16. 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.

  17. Atomic-layer chemical-vapor-deposition of TiN thin films on Si(100) and Si(111)

    CERN Document Server

    Kim, Y S; Kim, Y D; Kim, W M

    2000-01-01

    An atomic-layer chemical vapor deposition (AL-CVD) system was used to deposit TiN thin films on Si(100) and Si(111) substrates by cyclic exposures of TiCl sub 4 and NH sub 3. The growth rate was measured by using the number of deposition cycles, and the physical properties were compared with those of TiN films grown by using conventional deposition methods. To investigate the growth mechanism, we suggest a growth model for TiN n order to calculate the growth rate per cycle with a Cerius program. The results of the calculation with the model were compared with the experimental values for the TiN film deposited using the AL-CVD method. The stoichiometry of the TiN film was examined by using Auger electron spectroscopy, and the chlorine and the oxygen impurities were examined. The x-ray diffraction and the transmission electron microscopy results for the TiN film exhibited a strong (200) peak and a randomly oriented columnar microstructure. The electrical resistivity was found to decrease with increasing deposit...

  18. Vertically Oriented Growth of GaN Nanorods on Si Using Graphene as an Atomically Thin Buffer Layer.

    Science.gov (United States)

    Heilmann, Martin; Munshi, A Mazid; Sarau, George; Göbelt, Manuela; Tessarek, Christian; Fauske, Vidar T; van Helvoort, Antonius T J; Yang, Jianfeng; Latzel, Michael; Hoffmann, Björn; Conibeer, Gavin; Weman, Helge; Christiansen, Silke

    2016-06-01

    The monolithic integration of wurtzite GaN on Si via metal-organic vapor phase epitaxy is strongly hampered by lattice and thermal mismatch as well as meltback etching. This study presents single-layer graphene as an atomically thin buffer layer for c-axis-oriented growth of vertically aligned GaN nanorods mediated by nanometer-sized AlGaN nucleation islands. Nanostructures of similar morphology are demonstrated on graphene-covered Si(111) as well as Si(100). High crystal and optical quality of the nanorods are evidenced through scanning transmission electron microscopy, micro-Raman, and cathodoluminescence measurements supported by finite-difference time-domain simulations. Current-voltage characteristics revealed high vertical conduction of the as-grown GaN nanorods through the Si substrates. These findings are substantial to advance the integration of GaN-based devices on any substrates of choice that sustains the GaN growth temperatures, thereby permitting novel designs of GaN-based heterojunction device concepts.

  19. Vertically Oriented Growth of GaN Nanorods on Si Using Graphene as an Atomically Thin Buffer Layer.

    Science.gov (United States)

    Heilmann, Martin; Munshi, A Mazid; Sarau, George; Göbelt, Manuela; Tessarek, Christian; Fauske, Vidar T; van Helvoort, Antonius T J; Yang, Jianfeng; Latzel, Michael; Hoffmann, Björn; Conibeer, Gavin; Weman, Helge; Christiansen, Silke

    2016-06-01

    The monolithic integration of wurtzite GaN on Si via metal-organic vapor phase epitaxy is strongly hampered by lattice and thermal mismatch as well as meltback etching. This study presents single-layer graphene as an atomically thin buffer layer for c-axis-oriented growth of vertically aligned GaN nanorods mediated by nanometer-sized AlGaN nucleation islands. Nanostructures of similar morphology are demonstrated on graphene-covered Si(111) as well as Si(100). High crystal and optical quality of the nanorods are evidenced through scanning transmission electron microscopy, micro-Raman, and cathodoluminescence measurements supported by finite-difference time-domain simulations. Current-voltage characteristics revealed high vertical conduction of the as-grown GaN nanorods through the Si substrates. These findings are substantial to advance the integration of GaN-based devices on any substrates of choice that sustains the GaN growth temperatures, thereby permitting novel designs of GaN-based heterojunction device concepts. PMID:27124605

  20. Complementary and bipolar regimes of resistive switching in TiN/HfO{sub 2}/TiN stacks grown by atomic-layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Egorov, K.V.; Kirtaev, R.V.; Markeev, A.M.; Zablotskiy, A.V. [Moscow Institute of Physics and Technology, Institutskii per. 9, 141700, Dolgoprudny (Russian Federation); Lebedinskii, Yu.Yu.; Matveyev, Yu.A.; Zenkevich, A.V. [Moscow Institute of Physics and Technology, Institutskii per. 9, 141700, Dolgoprudny (Russian Federation); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Kashirskoye shosse 31, 115409, Moscow (Russian Federation); Orlov, O.M. [Scientific Research Institute of Molecular Electronics and Plant ' ' Micron' ' , 124462, Zelenograd (Russian Federation)

    2015-04-01

    Atomic-layer deposition (ALD) technique in combination with in vacuo X-ray photoelectron spectroscopy (XPS) analysis has been successfully employed to obtain fully ALD-grown planar TiN/HfO{sub 2}/TiN metal-insulator-metal structures for resistive random access memory (ReRAM) memory elements. In vacuo XPS analysis of ALD-grown TiN/HfO{sub 2}/TiN stacks reveals the presence of the ultrathin oxidized layers consisting of TiON (∝0.5 nm) and TiO{sub 2} (∝0.6 nm) at the bottom TiN/HfO{sub 2} interface (i); the nonoxidized TiN at the top HfO{sub 2}/TiN interface (ii); the oxygen deficiency in the HfO{sub 2} layer does not exceed the XPS detection limit (iii). Electroformed ALD TiN/HfO{sub 2}/TiN stacks reveal both conventional bipolar and complementary types of resistive switching. In the complementary resistive switching regime, each programming sequence is terminated by a reset operation, leaving the TiN/HfO{sub 2}/TiN stack in a high-resistance state. The observed feature can avoid detrimental leaky paths during successive reading operation, which is useful in the passive ReRAM arrays without a selector element. The bipolar regime of resistive switching is found to reveal the gradual character of the SET and RESET switching processes. Long-term potentiation and depression tests performed on ALD-grown TiN/HfO{sub 2}/TiN stacks indicate that they can be used as electronic synapse devices for the implementation of emerging neuromorphic computation systems. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. 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...

  2. 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.

  3. 570 mV photovoltage, stabilized n-Si/CoO_x heterojunction photoanodes fabricated using atomic layer deposition

    OpenAIRE

    Zhou, Xinghao; Liu, Rui; Sun, Ke; Papadantonakis, Kimberly M.; Brunschwig, Bruce S.; Lewis, Nathan S.

    2016-01-01

    Heterojunction photoanodes, consisting of n-type crystalline Si(100) substrates coated with a thin ∼50 nm film of cobalt oxide fabricated using atomic-layer deposition (ALD), exhibited photocurrent-onset potentials of −205 ± 20 mV relative to the formal potential for the oxygen-evolution reaction (OER), ideal regenerative solar-to-O_2(g) conversion efficiencies of 1.42 ± 0.20%, and operated continuously for over 100 days (∼2500 h) in 1.0 M KOH(aq) under simulated solar illumination. The ALD C...

  4. Noticeable positive Doppler effect on optical bistability in an N-type active Raman gain atomic system

    Institute of Scientific and Technical Information of China (English)

    Chang Zeng-Guang; Niu Yue-Ping; Zhang Jing-Tao; Gong Shang-Qing

    2012-01-01

    We theoretically investigate the Doppler effect on optical bistability in an N type active Raman gain atomic system inside an optical ring cavity.It is shown that the Doppler effect can greatly enhance the dispersion and thus create the bistable behaviour or greatly increase the bistable region,which has been known as the positive Doppler effect on optical bistability.In addition,we find that a positive Doppler effect can change optical bistability from the hybrid dispersion-gain type to a dispersive type.

  5. N:Si:P atomic ratio in the Santa Cruz Channel, Itamaracá-PE (Northeast Brazil): a nyctemeral variation

    OpenAIRE

    Montes Manuel de Jesús Flores; Macêdo Silvio José de; Koening Maria Luise

    2002-01-01

    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....

  6. Measurement of OH, NO, O and N atoms in helium plasma jet for ROS/RNS controlled biomedical processes

    Science.gov (United States)

    Yonemori, Seiya; Kamakura, Taku; Ono, Ryo

    2014-10-01

    Atmospheric-pressure plasmas are of emerging interest for new plasma applications such as cancer treatment, cell activation and sterilization. In those biomedical processes, reactive oxygen/nitrogen species (ROS/RNS) are said that they play significant role. It is though that active species give oxidative stress and induce biomedical reactions. In this study, we measured OH, NO, O and N atoms using laser induced fluorescence (LIF) measurement and found that voltage polarity affect particular ROS. When negative high voltage was applied to the plasma jet, O atom density was tripled compared to the case of positive applied voltage. In that case, O atom density was around 3 × 1015 [cm-3] at maximum. In contrast, OH and NO density did not change their density depending on the polarity of applied voltage, measured as in order of 1013 and 1014 [cm-3] at maximum, respectively. From ICCD imaging measurement, it could be seen that negative high voltage enhanced secondary emission in plasma bullet propagation and it can affect the effective production of particular ROS. Since ROS/RNS dose can be a quantitative criterion to control plasma biomedical application, those measurement results is able to be applied for in vivo and in vitro plasma biomedical experiments. This study is supported by the Grant-in-Aid for Science Research by the Ministry of Education, Culture, Sport, Science and Technology.

  7. EXAFS of Poly [μ-hexakis(2-methylimidazolato-N,N')triiron( II)]: Implications for Metalloprotein Studies

    NARCIS (Netherlands)

    Vliegenthart, J.F.G.; Feiters, M.C.; Navaratnam, S.; Al-Hakim, M.; Allen, J.C.; Spek, A.L.; Veldink, G.A.

    1988-01-01

    EXAFS data at the Fe K-edge of the coordination compound poly[mu-hexakis(2-methylimidazolato-N,N3triiron(II)] are presented. Single-scattering analysis of the EXAFS gives good agreement with the crystallographic data for the first two shells of atoms around the iron, but beyond that, multiple-scatte

  8. Electronic and optical device applications of hollow cathode plasma assisted atomic layer deposition based GaN thin films

    Energy Technology Data Exchange (ETDEWEB)

    Bolat, Sami, E-mail: bolat@ee.bilkent.edu.tr; Tekcan, Burak [Department of Electrical and Electronics Engineering, Bilkent University, 06800, Ankara, Turkey and UNAM, National Nanotechnology Research Center, Bilkent University, 06800, Ankara (Turkey); Ozgit-Akgun, Cagla; Biyikli, Necmi [UNAM, National Nanotechnology Research Center, Bilkent University, 06800, Ankara, Turkey and Institute of Materials Science and Nanotechnology, Bilkent University, 06800, Ankara (Turkey); Okyay, Ali Kemal, E-mail: aokyay@ee.bilkent.edu.tr [Department of Electrical and Electronics Engineering, Bilkent University, 06800, Ankara (Turkey); UNAM, National Nanotechnology Research Center, Bilkent University, 06800, Ankara (Turkey); Institute of Materials Science and Nanotechnology, Bilkent University, 06800, Ankara (Turkey)

    2015-01-15

    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 N{sub 2}/H{sub 2} PA-ALD based GaN channels are observed to have improved stability and transfer characteristics with respect to NH{sub 3} PA-ALD based transistors. Dark current of the MSM photodetectors is suppressed strongly after high-temperature annealing in N{sub 2}:H{sub 2} ambient.

  9. Atom probe tomography of a Ti-Si-Al-C-N coating grown on a cemented carbide substrate.

    Science.gov (United States)

    Thuvander, M; Östberg, G; Ahlgren, M; Falk, L K L

    2015-12-01

    The elemental distribution within a Ti-Si-Al-C-N coating grown by physical vapour deposition on a Cr-doped WC-Co cemented carbide substrate has been investigated by atom probe tomography. Special attention was paid to the coating/substrate interface region. The results indicated a diffusion of substrate binder phase elements into the Ti-N adhesion layer. The composition of this layer, and the Ti-Al-N interlayer present between the adhesion layer and the main Ti-Si-Al-C-N layer, appeared to be sub-stoichiometric. The analysis of the interlayer showed the presence of internal surfaces, possibly grain boundaries, depleted in Al. The composition of the main Ti-Al-Si-C-N layer varied periodically in the growth direction; layers enriched in Ti appeared with a periodicity of around 30 nm. Laser pulsing resulted in a good mass resolution that made it possible to distinguish between N(+) and Si(2+) at 14 Da.

  10. Effects of NN and ΛN tensor forces on Λ-separation energies of s shell hypernuclei

    International Nuclear Information System (INIS)

    In this paper, the effects of NN and ΛN tensor forces are described from the phenomenological viewpoint. The wave function of the system was given from the theory of multiple scattering. The Hamada-Johnston potential added with an effective two-body force, which represents the effect of three-body force, was used for the nuclear potential. The Dalitz type central force was used for the ΛN potential. The intensity of the tensor force was adjusted to reproduce the mixing parameter derived by OBEP. The results of analysis were as follows. When the H-J potential was used, the binding energy of Λ particles in hyper He-5 became close to the experimental value. The effect of the tensor forces is clear. A large spin dependent force is required to reproduce the excitation energy of hyper He-4. The ΛN tensor force reduces the excitation energy. The contribution of OPE type CBS component to the difference of the binding energy between hyper He-4 and hyper H-4 was consistent with the experimental results when the ΛN tensor force was present, and its sign was negative. The contribution of the tensor part was the main contribution. The large spin independent CSB component was required to reproduce the energy difference of the ground state of hypernuclei and the excited state of hypernuclei. (Kato, T.)

  11. X-ray reflectivity and atomic force microscopy studies of MOCVD grown AlxGa1-xN/GaN superlattice structures*

    Institute of Scientific and Technical Information of China (English)

    Wang Yuanzhang; Li Jinchai; Li Shuping; Chen Hangyang; Liu Dayi; Kang Junyong

    2011-01-01

    The grazing incidence X-ray reflectivity (GIXR) technique and atomic force microscopy (AFM) were exploited to obtain an accurate evaluation of the surfaces and interfaces for metalorganic chemical vapor deposition grown AlxGa1-xN/GaN superlattice structures. The X-ray diffraction results have been combined with reflectivity data to evaluate the layer thickness and Al mole fraction in the AlGaN layer. The presence ora smooth interface is responsible for the observation of intensity oscillation in GIXR, which is well correlated to step flow observation in AFM images of the surface. The structure with a low Al mole fraction (x = 0.25) and thin well width has a rather smooth surface for the Rrms of AFM data value is 0.45 nm.

  12. Rotational spectra of N$_2^+$: An advanced undergraduate laboratory in atomic and molecular spectroscopy

    CERN Document Server

    Bayram, S B; Arndt, P T

    2015-01-01

    We describe an inexpensive instructional experiment that demonstrates the rotational energy levels of diatomic nitrogen, using the emission band spectrum of molecular nitrogen ionized by various processes in a commercial AC capillary discharge tube. The simple setup and analytical procedure is introduced as part of a sequence of educational experiments employed by a course of advanced atomic and molecular spectroscopy, where the study of rotational spectra is combined with the analysis of vibrational characteristics for a multifaceted picture of the quantum states of diatomic molecules.

  13. Improving p-type doping efficiency in Al{sub 0.83}Ga{sub 0.17}N alloy substituted by nanoscale (AlN){sub 5}/(GaN){sub 1} superlattice with Mg{sub Ga}-O{sub N} δ-codoping: Role of O-atom in GaN monolayer

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Hong-xia; Shi, Jun-jie, E-mail: jjshi@pku.edu.cn; Jiang, Xin-he; Huang, Pu; Ding, Yi-min [State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871 (China); Zhang, Min [College of Physics and Electron Information, Inner Mongolia Normal University, Hohhot 010022 (China)

    2015-01-15

    We calculate Mg-acceptor activation energy E{sub A} and investigate the influence of O-atom, occupied the Mg nearest-neighbor, on E{sub A} in nanoscale (AlN){sub 5}/(GaN){sub 1} superlattice (SL), a substitution for Al{sub 0.83}Ga{sub 0.17}N disorder alloy, using first-principles calculations. We find that the N-atom bonded with Ga-atom is more easily substituted by O-atom and nMg{sub Ga}-O{sub N} (n = 1-3) complexes are favorable and stable in the SL. The O-atom plays a dominant role in reducing E{sub A}. The shorter the Mg-O bond is, the smaller the E{sub A} is. The Mg-acceptor activation energy can be reduced significantly by nMg{sub Ga}-O{sub N} δ-codoping. Our calculated E{sub A} for 2Mg{sub Ga}-O{sub N} is 0.21 eV, and can be further reduced to 0.13 eV for 3Mg{sub Ga}-O{sub N}, which results in a high hole concentration in the order of 10{sup 20} cm{sup −3} at room temperature in (AlN){sub 5}/(GaN){sub 1} SL. Our results prove that nMg{sub Ga}-O{sub N} (n = 2,3) δ-codoping in AlN/GaN SL with ultrathin GaN-layer is an effective way to improve p-type doping efficiency in Al-rich AlGaN.

  14. Atomic layer deposition of AlN for thin membranes using trimethylaluminum and H{sub 2}/N{sub 2} plasma

    Energy Technology Data Exchange (ETDEWEB)

    Goerke, Sebastian, E-mail: sebastian.goerke@ipht-jena.de [Leibniz Institute of Photonic Technology (IPHT), Albert-Einstein-Str. 9, 07745 Jena (Germany); Ziegler, Mario; Ihring, Andreas; Dellith, Jan [Leibniz Institute of Photonic Technology (IPHT), Albert-Einstein-Str. 9, 07745 Jena (Germany); Undisz, Andreas [Otto Schott Institute of Materials Research, Friedrich-Schiller-University, Löbdergraben 32, 07743 Jena (Germany); Diegel, Marco; Anders, Solveig; Huebner, Uwe [Leibniz Institute of Photonic Technology (IPHT), Albert-Einstein-Str. 9, 07745 Jena (Germany); Rettenmayr, Markus [Otto Schott Institute of Materials Research, Friedrich-Schiller-University, Löbdergraben 32, 07743 Jena (Germany); Meyer, Hans-Georg [Leibniz Institute of Photonic Technology (IPHT), Albert-Einstein-Str. 9, 07745 Jena (Germany)

    2015-05-30

    Highlights: • AlN films grown at 150 °C by ALD using trimethylaluminum and H{sub 2}/N{sub 2}-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 H{sub 2}/N{sub 2} 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 mm{sup 2}. The membranes were patterned with focused ion beam etching. Thus, these AlN membranes qualify as dielectric support material for a variety of potential applications.

  15. Acetabular shell deformation as a function of shell stiffness and bone strength.

    Science.gov (United States)

    Dold, Philipp; Pandorf, Thomas; Flohr, Markus; Preuss, Roman; Bone, Martin C; Joyce, Tom J; Holland, James; Deehan, David

    2016-04-01

    Press-fit acetabular shells used for hip replacement rely upon an interference fit with the bone to provide initial stability. This process may result in deformation of the shell. This study aimed to model shell deformation as a process of shell stiffness and bone strength. A cohort of 32 shells with two different wall thicknesses (3 and 4 mm) and 10 different shell sizes (44- to 62-mm outer diameter) were implanted into eight cadavers. Shell deformation was then measured in the cadavers using a previously validated ATOS Triple Scan III optical system. The shell-bone interface was then considered as a spring system according to Hooke's law and from this the force exerted on the shell by the bone was calculated using a combined stiffness consisting of the measured shell stiffness and a calculated bone stiffness. The median radial stiffness for the 3-mm wall thickness was 4192 N/mm (range, 2920-6257 N/mm), while for the 4-mm wall thickness the median was 9633 N/mm (range, 6875-14,341 N/mm). The median deformation was 48 µm (range, 3-187 µm), while the median force was 256 N (range, 26-916 N). No statistically significant correlation was found between shell stiffness and deformation. Deformation was also found to be not fully symmetric (centres 180° apart), with a median angle discrepancy of 11.5° between the two maximum positive points of deformation. Further work is still required to understand how the bone influences acetabular shell deformation.

  16. Low-temperature self-limiting atomic layer deposition of wurtzite InN on Si(100

    Directory of Open Access Journals (Sweden)

    Ali Haider

    2016-04-01

    Full Text Available In this work, we report on self-limiting growth of InN thin films at substrate temperatures as low as 200 °C by hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD. The precursors used in growth experiments were trimethylindium (TMI and N2 plasma. Process parameters including TMI pulse time, N2 plasma exposure time, purge time, and deposition temperature have been optimized for self-limiting growth of InN with in ALD window. With the increase in exposure time of N2 plasma from 40 s to 100 s at 200 °C, growth rate showed a significant decrease from 1.60 to 0.64 Å/cycle. At 200 °C, growth rate saturated as 0.64 Å/cycle for TMI dose starting from 0.07 s. Structural, optical, and morphological characterization of InN were carried out in detail. X-ray diffraction measurements revealed the hexagonal wurtzite crystalline structure of the grown InN films. Refractive index of the InN film deposited at 200 °C was found to be 2.66 at 650 nm. 48 nm-thick InN films exhibited relatively smooth surfaces with Rms surface roughness values of 0.98 nm, while the film density was extracted as 6.30 g/cm3. X-ray photoelectron spectroscopy (XPS measurements depicted the peaks of indium, nitrogen, carbon, and oxygen on the film surface and quantitative information revealed that films are nearly stoichiometric with rather low impurity content. In3d and N1s high-resolution scans confirmed the presence of InN with peaks located at 443.5 and 396.8 eV, respectively. Transmission electron microscopy (TEM and selected area electron diffraction (SAED further confirmed the polycrystalline structure of InN thin films and elemental mapping revealed uniform distribution of indium and nitrogen along the scanned area of the InN film. Spectral absorption measurements exhibited an optical band edge around 1.9 eV. Our findings demonstrate that HCPA-ALD might be a promising technique to grow crystalline wurtzite InN thin films at low substrate temperatures.

  17. Plasma-Enhanced Atomic Layer Deposition (PEALD of TiN using the Organic Precursor Tetrakis(ethylmethylamidoTitanium (TEMAT

    Directory of Open Access Journals (Sweden)

    Chen Z.X.

    2016-01-01

    Full Text Available This paper presents the plasma-enhanced atomic layer deposition (PEALD of titanium nitride (TiN using the organic precursor tetrakis(ethylmethylamidotitanium (TEMAT, with remote ammonia (NH3 plasma as reactant gas. This work investigates the impact of substrate temperature, from 150-350°C, and plasma times, from 5-30s, on deposition rate, resistivity, carbon content, N/Ti ratio and film density. The lowest resistivity of ~ 250 μΩ.cm was achieved at substrate temperatures 300-350°C and plasma time of 20s. At low substrate temperatures, although deposition was possible, carbon concentration was found to be higher, which thus affects film resistivity and density.

  18. Investigation of thermal atomic layer deposited TiAlX (X = N or C) film as metal gate

    Science.gov (United States)

    Xiang, Jinjuan; Zhang, Yanbo; Li, Tingting; Wang, Xiaolei; Gao, Jianfeng; Yin, Huaxiang; Li, Junfeng; Wang, Wenwu; Ding, Yuqiang; Xu, Chongying; Zhao, Chao

    2016-08-01

    TiAlX (X = N or C) films are developed by thermal atomic layer deposition (ALD) technique as metal gate. The TiAlX films are deposited by using four different combinations of precursors: A: TiCl4-NH3-TMA-NH3, B: TiCl4-TMA-NH3, C: TiCl4-NH3-TMA and D: TiCl4-TMA. The physical characteristics of the TiAlX films such as chemical composition, growth rate, resistivity and surface roughness are estimated by X-ray photoemission spectroscopy, scanning electron microscope, four point probe method and atomic force microscopy respectively. Additionally, the electrical characteristics of the TiAlX films are investigated by using metal-oxide-semiconductor (MOS) capacitor structure. It is shown that NH3 presence in the reaction makes the film more like TiAlN(C) while NH3 absence makes the film more like TiAlC. The TiAlC film deposited by TiCl4-TMA has effective work function close to mid-gap of Si, which is rather potential for low power FinFET device application.

  19. Isomer and β-decay spectroscopy of Tz=1 isotopes below the N=Z=50 shell gap

    Science.gov (United States)

    Boutachkov, P.; Braun, N.; Brock, T.; Nara Singh, B. S.; Blazhev, A.; Liu, Z.; Wadsworth, R.; Górska, M.; Grawe, H.; Pietri, S.; Domingo-Pardo, C.; Faestermann, T.; Farinon, F.; Grebosz, J.; Kojuharov, I.; Kurz, N.; Nociforo, C.; Podolyák, Zs; Prochazka, A.; Steer, S.; Cáceres, L.; Engert, T.; Gerl, J.; Goel, N.; Hoischen, R.; Schaffner, H.; Weick, H.; Wollersheim, H.-J.; Bettermann, L.; Finke, F.; Geibel, K.; Ilie, G.; Iwasaki, H.; Jolie, J.; Nyberg, J.; Reiter, P.; Scholl, C.; Söderström, P.-A.; Warr, N.; Eppinger, K.; Gottardo, A.; Hinke, C.; Krücken, R.; Pfützner, M.; Regan, P.; Rinta-Antila, S.; Rudolph, D.; Woods, P.; Ataç, A.; Merchán, E.

    2011-09-01

    The RISING setup at the GSI-FRS facility was used to investigate the isomer and beta decays in N~Z~50 Cd, Ag and Pd isotopes. A preliminary analysis of the data has revealed new results on the Tz=1, 94Pd, 96Ag and 98Cd isotopes. In 94Pd a new high-spin isomer was observed, whilst in 96Ag 3 new isomeric states were identified, including core-excited states. In 98Cd a new high-energy isomeric γ-ray transition is observed, thus enabling us to confirm the previous spin assignment for the core-excited 12+ isomer.

  20. Co@Co3O4 core-shell particle encapsulated N-doped mesoporous carbon cage hybrids as active and durable oxygen-evolving catalysts.

    Science.gov (United States)

    Li, Xinzhe; Fang, Yiyun; Wen, Lixin; Li, Feng; Yin, Guanlin; Chen, Wanmin; An, Xingcai; Jin, Jun; Ma, Jiantai

    2016-04-01

    Cobalt-based nanomaterials are promising candidates as efficient, affordable, and sustainable alternative electrocatalysts for the oxygen evolution reaction (OER). However, the catalytic efficiency of traditional nanomaterials is still far below what is expected, because of their low stability in basic solutions and poor active site exposure yield. Here a unique hybrid nanomaterial comprising Co@Co3O4 core-shell nanoparticle (NP) encapsulated N-doped mesoporous carbon cages on reduced graphene oxide (denoted as Co@Co3O4@NMCC/rGO) is successfully synthesized via a carbonization and subsequent oxidation strategy of a graphene oxide (GO)-based metal-organic framework (MOF). Impressively, the special carbon cage structure is very important for not only leading to a large active surface area, enhanced mass/charge transport capability, and easy release of gas bubbles, but also preventing Co@Co3O4 NPs from aggregation and peeling off during prolonged electrochemical reactions. As a result, in alkaline media, the resulting hybrid materials catalyze the OER with a low onset potential of ∼1.50 V (vs. RHE) and an over-potential of only 340 mV to achieve a stable current density of 10 mA cm(-2) for at least 25 h. In addition, metallic Co cores in Co@Co3O4 provide an alternative way for electron transport and accelerate the OER rate. PMID:26914166

  1. Gamow shell model description of radiative capture reactions $^6$Li$(p,\\gamma)$$^7$Be and $^6$Li$(n,\\gamma)$$^7$Li

    CERN Document Server

    Dong, G X; Fossez, K; Płoszajczak, M; Jaganathen, Y; Betan, R M Id

    2016-01-01

    According to standard stellar evolution, lithium abundance is believed to be a useful indicator of the stellar age. However, many evolved stars like red giants show huge fluctuations around expected theoretical abundances that are not yet fully understood. The better knowledge of nuclear reactions that contribute to the creation and destruction of lithium can help to solve this puzzle. In this work we apply the Gamow shell model (GSM) formulated in the coupled-channel representation (GSM-CC) to investigate the mirror radiative capture reactions $^6$Li$(p,\\gamma)$$^7$Be and $^6$Li$(n,\\gamma)$$^7$Li. The cross-sections are calculated using a translationally invariant Hamiltonian with the finite-range interaction which is adjusted to reproduce spectra, binding energies and one-nucleon separation energies in $^{6-7}$Li, $^7$Be. All relevant $E1$, $M1$, and $E2$ transitions from the initial continuum states to the final bound states $J={3/2}_1^-$ and $J={1/2}^-$ of $^7$Li and $^7$Be are included. We demonstrate th...

  2. The Effect of Atomic Vacancies and Grain Boundaries on Mechanical Properties of GaN Nanowires

    Institute of Scientific and Technical Information of China (English)

    XIE Shi-Feng; CHEN Shang-Da; SOS Ai-Kah

    2011-01-01

    @@ Molecular dynamics simulations are carried out to investigate the influences of various defects on mechanical properties of wurtzite GaN nanowires by adopting the empirical Stillinger-Weber potential.Different types of vacancies and grain boundaries are considered and the uniaxial loading condition is implemented along the [001] direction.It is found that surface defects have less impact on Voung's moduli and critical stresses of GaN nanowires compared with random defects.The grain boundary normal to the axial direction of a nanowire would not significantly affect Young's moduli of nanowires.However, the inversion domain grain boundaries with and without wrong bonds would significantly lower Young's moduli of GaN nanowires.In addition, the inversion domain grain boundary affects the critical stress of GaN nanowires more than the grain boundary with interface normal to the axial direction of the nanowire.%Molecular dynamics simulations are carried out to investigate the influences of various defects on mechanical properties of wurtzite GaN nanowires by adopting the empirical Stillinger-Weber potential. Different types of vacancies and grain boundaries are considered and the uniaxial loading condition is implemented along the [001] direction. It is found that surface defects have less impact on Young's moduli and critical stresses of GaN nanowires compared with random defects. The grain boundary normal to the axial direction of a nanowire would not significantly affect Young's moduli of nanowires. However, the inversion domain grain boundaries with and without wrong bonds would significantly lower Young's moduli of GaN nanowires. In addition, the inversion domain grain boundary affects the critical stress of GaN nanowires more than the grain boundary with interface normal to the axial direction of the nanowire.

  3. Shell biofilm-associated nitrous oxide production in marine molluscs

    DEFF Research Database (Denmark)

    Heisterkamp, I.M.; Schramm, Andreas; Larsen, Lone Heimann;

    2013-01-01

    Emission of the greenhouse gas nitrous oxide (N2O) from freshwater and terrestrial invertebrates has exclusively been ascribed to N2O production by ingested denitrifying bacteria in the anoxic gut of the animals. Our study of marine molluscs now shows that also microbial biofilms on shell surfaces...... are important sites of N2O production. The shell biofilms of Mytilus edulis, Littorina littorea and Hinia reticulata contributed 18-94% to the total animal-associated N2O emission. Nitrification and denitrification were equally important sources of N2O in shell biofilms as revealed by 15N-stable isotope...... experiments with dissected shells. Microsensor measurements confirmed that both nitrification and denitrification can occur in shell biofilms due to a heterogeneous oxygen distribution. Accordingly, ammonium, nitrite and nitrate were important drivers of N2O production in the shell biofilm of the three...

  4. Systematic study of shell gaps in nuclei

    CERN Document Server

    Mo, Qiuhong; Wang, Ning

    2014-01-01

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

  5. Muon capture by the 1p shell of 10B, 12C and 14N nuclei. Experiments and interpretation

    International Nuclear Information System (INIS)

    The main elements necessary to treat weak interactions in a nucleus including the contributions of exchange meson currents are presented. The case of a transition between an initial (Z,A) nucleus and a final (Z-1,A) nucleus in a well defined bound state is treated. The form of the single body operator taking into account the nucleonic degrees of freedom (impulse approximation) is recalled. The construction of a two-body operator taking mesonic degrees of freedom into account is outlined. Measurements of partial capture rates in 10B, 12C and 14N target nuclei leading to excited bound states of 10Be, 12B and 14C residual nuclei are described. Results are given and comparisons made with the calculations performed, nuclear states being described by various wave functions. Measurements of the polarization of the 1+ ground state of 12B after N capture in 12C are briefly described. An attempt is made to interpret the 0+ 1+ transition occurring in the A = 12 triad. A convenient parametrization is obtained from the expression for these observable quantities as a function of the nuclear shape factors. This analysis enables a strict choice to be made from the available wavefunctions. It demonstrates that experimental data are well reproduced by the microscopy approach performed using the effective Sussex potential and single pion exchange currents. Finally, the hitherto unexplored domain of muon capture is tackled. A high energy transfer is involved in which the neutrino remains practically at rest. In this case, the vector part is not very important and the axial current time part contributes as much is the space part. The (μ-,pn) reaction was used for exploratory measurements in this domain. Practical limits are determined

  6. Ab initio study of Ga-GaN system: Transition from adsorbed metal atoms to a metal–semiconductor junction

    Energy Technology Data Exchange (ETDEWEB)

    Witczak, Przemysław; Kempisty, Pawel; Strak, Pawel [Institute of High Pressure Physics, Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw (Poland); Krukowski, Stanisław, E-mail: stach@unipress.waw.pl [Institute of High Pressure Physics, Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw, Poland and Interdisciplinary Centre for Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw (Poland)

    2015-11-15

    Ab initio studies of a GaN(0001)-Ga system with various thicknesses of a metallic Ga layer were undertaken. The studied systems extend from a GaN(0001) surface with a fractional coverage of gallium atoms to a Ga-GaN metal–semiconductor (m–s) contact. Electronic properties of the system are simulated using density functional theory calculations for different doping of the bulk semiconductor. It is shown that during transition from a bare GaN(0001) surface to a m–s heterostructure, the Fermi level stays pinned at a Ga-broken bond highly dispersive surface state to Ga–Ga states at the m–s interface. Adsorption of gallium leads to an energy gain of about 4 eV for a clean GaN(0001) surface and the energy decreases to 3.2 eV for a thickly Ga-covered surface. The transition to the m–s interface is observed. For a thick Ga overlayer such interface corresponds to a Schottky contact with a barrier equal to 0.9 and 0.6 eV for n- and p-type, respectively. Bond polarization-related dipole layer occurring due to an electron transfer to the metal leads to a potential energy jump of 1.5 eV, independent on the semiconductor doping. Additionally high electron density in the Ga–Ga bond region leads to an energy barrier about 1.2 eV high and 4 Å wide. This feature may adversely affect the conductivity of the n-type m–s system.

  7. Symmetries and deformations in the spherical shell model

    CERN Document Server

    Van Isacker, Piet

    2016-01-01

    We discuss symmetries of the spherical shell model that make contact with the geometric collective model of Bohr and Mottelson. The most celebrated symmetry of this kind is SU(3), which is the basis of Elliott's model of rotation. It corresponds to a deformed mean field induced by a quadrupole interaction in a single major oscillator shell N and can be generalized to include several major shells. As such, Elliott's SU(3) model establishes the link between the spherical shell model and the (quadrupole component of the) geometric collective model. We introduce the analogue symmetry induced by an octupole interaction in two major oscillator shells N-1 and N, leading to an octupole-deformed solution of the spherical shell model. We show that in the limit of large oscillator shells (large N) the algebraic octupole interaction tends to that of the geometric collective model.

  8. Symmetries and deformations in the spherical shell model

    Science.gov (United States)

    Van Isacker, P.; Pittel, S.

    2016-02-01

    We discuss symmetries of the spherical shell model that make contact with the geometric collective model of Bohr and Mottelson. The most celebrated symmetry of this kind is SU(3), which is the basis of Elliott’s model of rotation. It corresponds to a deformed mean field induced by a quadrupole interaction in a single major oscillator shell N and can be generalized to include several major shells. As such, Elliott’s SU(3) model establishes the link between the spherical shell model and the (quadrupole component of the) geometric collective model. We introduce the analogue symmetry induced by an octupole interaction in two major oscillator shells N-1 and N, leading to an octupole-deformed solution of the spherical shell model. We show that in the limit of large oscillator shells, N\\to ∞ , the algebraic octupole interaction tends to that of the geometric collective model.

  9. Cobalt sulfide/N,S codoped porous carbon core-shell nanocomposites as superior bifunctional electrocatalysts for oxygen reduction and evolution reactions

    Science.gov (United States)

    Chen, Binling; Li, Rong; Ma, Guiping; Gou, Xinglong; Zhu, Yanqiu; Xia, Yongde

    2015-12-01

    Exploring highly-efficient and low-cost bifunctional electrocatalysts for both oxygen reduction reaction (ORR) and oxygen evolution reactions (OER) in the renewable energy area has gained momentum but still remains a significant challenge. Here we present a simple but efficient method that utilizes ZIF-67 as the precursor and template for the one-step generation of homogeneous dispersed cobalt sulfide/N,S-codoped porous carbon nanocomposites as high-performance electrocatalysts. Due to the favourable molecular-like structural features and uniform dispersed active sites in the precursor, the resulting nanocomposites, possessing a unique core-shell structure, high porosity, homogeneous dispersion of active components together with N and S-doping effects, not only show excellent electrocatalytic activity towards ORR with the high onset potential (around -0.04 V vs. -0.02 V for the benchmark Pt/C catalyst) and four-electron pathway and OER with a small overpotential of 0.47 V for 10 mA cm-2 current density, but also exhibit superior stability (92%) to the commercial Pt/C catalyst (74%) in ORR and promising OER stability (80%) with good methanol tolerance. Our findings suggest that the transition metal sulfide-porous carbon nanocomposites derived from the one-step simultaneous sulfurization and carbonization of zeolitic imidazolate frameworks are excellent alternative bifunctional electrocatalysts towards ORR and OER in the next generation of energy storage and conversion technologies.Exploring highly-efficient and low-cost bifunctional electrocatalysts for both oxygen reduction reaction (ORR) and oxygen evolution reactions (OER) in the renewable energy area has gained momentum but still remains a significant challenge. Here we present a simple but efficient method that utilizes ZIF-67 as the precursor and template for the one-step generation of homogeneous dispersed cobalt sulfide/N,S-codoped porous carbon nanocomposites as high-performance electrocatalysts. Due to the

  10. Enhancement mode AlGaN/GaN MOS high-electron-mobility transistors with ZrO2 gate dielectric deposited by atomic layer deposition

    Science.gov (United States)

    Anderson, Travis J.; Wheeler, Virginia D.; Shahin, David I.; Tadjer, Marko J.; Koehler, Andrew D.; Hobart, Karl D.; Christou, Aris; Kub, Francis J.; Eddy, Charles R., Jr.

    2016-07-01

    Advanced applications of AlGaN/GaN high-electron-mobility transistors (HEMTs) in high-power RF and power switching are driving the need for insulated gate technology. We present a metal-oxide-semiconductor (MOS) gate structure using atomic-layer-deposited ZrO2 as a high-k, high-breakdown gate dielectric for reduced gate leakage and a recessed barrier structure for enhancement mode operation. Compared to a Schottky metal-gate HEMT, the recessed MOS-HEMT structure demonstrated a reduction in the gate leakage current by 4 orders of magnitude and a threshold voltage shift of +6 V to a record +3.99 V, enabled by a combination of a recessed barrier structure and negative oxide charge.

  11. Photoluminescence recovery by in-situ exposure of plasma-damaged n-GaN to atomic hydrogen at room temperature

    Directory of Open Access Journals (Sweden)

    Shang Chen

    2012-06-01

    Full Text Available The effect of in-situ exposure of n-GaN damaged by Cl2 plasma to atomic hydrogen (H radicals at room temperature was investigated. We found that the PL intensities of the band-edge emission, which had been drastically reduced by plasma-beam irradiation at a Cl ion dose of 5 × 1016 cm−2, recovered to values close to those of as-grown samples after H radical exposure at a dose of 3.8 × 1017 cm−2. XPS revealed the appearance of a peak at a binding energy of 18.3 eV, which is tentatively assigned to Ga-H, and confirmed the removal of Cl after H radical exposure.

  12. Growth kinetics and structural perfection of (InN)1/(GaN)1-20 short-period superlattices on +c-GaN template in dynamic atomic layer epitaxy

    Science.gov (United States)

    Kusakabe, Kazuhide; Hashimoto, Naoki; Itoi, Takaomi; Wang, Ke; Imai, Daichi; Yoshikawa, Akihiko

    2016-04-01

    The growth kinetics and structural perfection of (InN)1/(GaN)1-20 short-period superlattices (SPSs) were investigated with their application to ordered alloys in mind. The SPSs were grown on +c-GaN template at 650 °C by dynamic atomic layer epitaxy in conventional plasma-assisted molecular beam epitaxy. It was found that coherent structured InN/GaN SPSs could be fabricated when the thickness of the GaN barrier was 4 ML or above. Below 3 ML, the formation of SPSs was quite difficult owing to the increased strain in the SPS structure caused by the use of GaN as a template. The effective or average In composition of the (InN)1/(GaN)4 SPSs was around 10%, and the corresponding InN coverage in the ˜1 ML-thick InN wells was 50%. It was found that the effective InN coverage in ˜1 ML-thick InN wells could be varied with the growth conditions. In fact, the effective In composition could be increased up to 13.5%, i.e., the corresponding effective InN coverage was about 68%, by improving the capping/freezing speed by increasing the growth rate of the GaN barrier layer.

  13. Influence of ion/atom arrival ratio on structure and optical properties of AlN films by ion beam assisted deposition

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Jian-ping [Department of Energy Material and Technology, General Research Institute for Nonferrous Metals, Beijing 100088 (China); School of Engineering and Technology, China University of Geosciences, Beijing 100083 (China); Fu, Zhi-qiang, E-mail: fuzq@cugb.edu.cn [School of Engineering and Technology, China University of Geosciences, Beijing 100083 (China); Liu, Xiao-peng [Department of Energy Material and Technology, General Research Institute for Nonferrous Metals, Beijing 100088 (China); Yue, Wen; Wang, Cheng-biao [School of Engineering and Technology, China University of Geosciences, Beijing 100083 (China)

    2014-10-30

    Highlights: • AlN films were fabricated by dual ion beam sputtering. • Chemical bond status and phase composition of the films were studied by XPS and XRD. • Optical constants were measured by spectroscopic ellipsometry. • Influence of ion/atom arrival ratio on the films was studied. - Abstract: In order to improve the optical properties of AlN films, the influence of the ion/atom arrival ratio on the structure and optical characteristics of AlN films deposited by dual ion beam sputtering was studied by using X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, spectroscopic ellipsometry and UV–vis spectroscopy. The films prepared at the ion/atom arrival ratio of 1.4 are amorphous while the crystalline quality is improved with the increase of the ion/atom arrival ratio. The films deposited at the ion/atom arrival ratio of no less than 1.8 have an approximately stoichiometric ratio and mainly consist of aluminum nitride with little aluminum oxynitride, while metallic aluminum component appears in the films deposited at the ion/atom arrival ratio of 1.4. When the ion/atom arrival ratio is not less than 1.8, films are smooth, high transmitting and dense. The films prepared with high ion/atom arrival ratio (≥1.8) display the characteristic of a dielectric. The films deposited at the ion/atom arrival ratio of 1.4 are coarse, opaque and show characteristic of cermet.

  14. Satellites to. delta. n = 1 transitions between high-lying levels of multiply ionized atoms

    Energy Technology Data Exchange (ETDEWEB)

    Konig, R.; Kolk, K.; Koshelev, K. N.; Kunze, H.

    1989-04-10

    In a theta pinch discharge satellites to ..delta../ital n/=1 transitionsbetween high-lying levels are observed for the ions Si ix, Six, and Si xi, but not for Si xii. They areidentified as ..delta../ital n/=1 transitions between the corresponding levels ofdoubly excited systems. At high densities, the series of Rydberg levels abovetheir respective thermal limit are collisionally coupled to their ionizationlimit: The intensity ratio of a transition to that of its satellite thus offersthe unique possibility of measuring the ratio of the population density in theground energy level of the next ionization stage to that in the lowest excitedlevels of this ion.

  15. Satellites to Delta n = 1 transitions between high-lying levels of multiply ionized atoms

    Science.gov (United States)

    Koenig, R.; Kolk, K.-H.; Koshelev, K. N.; Kunze, H.-J.

    1989-04-01

    In a theta pinch discharge satellites to Delta n = 1 transitions between high-lying levels are observed for the ions Si IX, Si X, and Si XI, but not for Si XII. They are identified as Delta n = 1 transitions between the corresponding levels of doubly excited systems. At high densities, the series of Rydberg levels above their respective thermal limit are collisionally coupled to their ionization limit. The intensity ratio of a transition to that of its satellite thus offers the unique possibility of measuring the ratio of the population density in the ground energy level of the next ionization stage to that in the lowest excited levels of this ion.

  16. Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

    Science.gov (United States)

    Pallix, Joan B.; Copeland, Richard A.; Arnold, James O. (Technical Monitor)

    1995-01-01

    Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

  17. Atomic layer deposition of TiN for the fabrication of nanomechanical resonators

    Energy Technology Data Exchange (ETDEWEB)

    Nelson-Fitzpatrick, Nathan; Guthy, Csaba; Poshtiban, Somayyeh; Evoy, Stephane [Department of Electrical and Computer Engineering, University of Alberta, 2nd Floor ECERF (9107-116 Street), Edmonton, Alberta, T6G 2V4 (Canada); Finley, Eric; Harris, Kenneth D. [National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton, Alberta, T6G 2M9 (Canada); Worfolk, Brian J. [Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta, T6G 2G2 (Canada)

    2013-03-15

    Films of titanium nitride were grown by atomic layer deposition (ALD) over a range of temperatures from 120 Degree-Sign C to 300 Degree-Sign C, and their deposition rates were characterized by ellipsometry and reflectometry. The stress state of the films was evaluated by interferometry using a wafer bowing technique and varied from compressive (-18 MPa) to tensile (650 MPa). The crystal structure of the films was assessed by x-ray diffraction. The grain size varied with temperature in the range of 2-9 nm. The chemical composition of the films was ascertained by high-resolution x-ray photoelectron spectroscopy and showed the presence of O, Cl, and C contaminants. A mildly tensile (250 MPa) stressed film was employed for the fabrication (by electron beam lithography and reactive ion etching) of doubly clamped nanoresonator beams. The resonance frequency of resonators was assayed using an interferometric resonance testing apparatus. The devices exhibited sharp mechanical resonance peaks in the 17-25 MHz range. The uniformity and controllable deposition rate of ALD films make them ideal candidate materials for the fabrication of ultranarrow (<50 nm) nanobeam structures.

  18. Shell Galaxies, Dynamical Friction, and Dwarf Disruption

    CERN Document Server

    Ebrova, Ivana; Canalizo, Gabriela; Bennert, Nicola; Jilkova, Lucie

    2009-01-01

    Using N-body simulations of shell galaxies created in nearly radial minor mergers, we investigate the error of collision dating, resulting from the neglect of dynamical friction and of gradual disruption of the cannibalized dwarf.

  19. Bistable Behaviour of N Two-Level Atoms Interacting with the Field inside a High-Q Cavity Containing a Nonlinear Kerr-Like Medium

    Institute of Scientific and Technical Information of China (English)

    LUO Jin-Ming; LI Jia-Hua; XIE Xiao-Tao

    2006-01-01

    @@ Taking the intensity-dependent coupling between atoms and cavity mode into account, we investigate a system consisting of N homogeneously broadened two-level atoms interacting with the field inside a single-mode Fabry Perot cavity containing a nonlinear Kerr-like medium. We derive the steady-state bistable behaviour of the system, and further analyse in details the influence of several critical parameters on the bistable behaviour.

  20. Electronic properties of transition metal atoms on Cu2 N/Cu(100): a DFT comparative study

    Science.gov (United States)

    Ferron, Alejandro; Lado, José; Fernández-Rossier, Joaquín

    2015-03-01

    We study the electronic and magnetic properties of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co and Ni) deposited on a Cu2N /Cu(100) surface by means of spin-polarized density functional theory (DFT) calculations. We focus our work on a comparative study of the various quantities, such as magnetic moment, orbital occupation, structural properties, hybridization with the substrate and spin polarization of the substrate, paying attention to the trends as the transition metal is changed. In this work we try to go beyond existing theoretical works by providing a comprehensive and comparative study of the electronic, magnetic and structural properties of these seven atoms including also Ni, for which there are no published calculations to the best of our knowledge. In the case of Mn, Fe and Co, we connect our results with the existing scanning tunneling microscope experiments. A.F. acknowledges funding from the European Union's Seventh Framework Programme for research, technological development and demonstration, under the PEOPLE programme, Marie Curie COFUND Actions, grant agreement number 600375 and CONICET.

  1. Interaction of a slow monopole with a hydrogen atom

    OpenAIRE

    Shnir, Ya. M.

    1996-01-01

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

  2. Ionization and excitation of lithium atoms by fast charged particle impact: identification of mechanisms for double K-shell vacancy production as a function of the projectile charge and velocity; Ionisation et excitation de l'atome de lithium par impact de particules chargees rapides: Identification des mecanismes de creation de deux lacunes en couche K du lithium en fonction de la charge et de la vitesse du projectile

    Energy Technology Data Exchange (ETDEWEB)

    Rangama, J

    2002-11-01

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

  3. GaN MOS-HEMT Using Ultra-Thin Al2O3 Dielectric Grown by Atomic Layer Deposition

    Institute of Scientific and Technical Information of China (English)

    YUE Yuan-Zheng; HAO Yue; FENG Qian; ZHANG Jin-Cheng; MA Xiao-Hua; NI Jin-Yu

    2007-01-01

    @@ We report a GaN metal-oxide-semiconductor high electron mobility transistor (MOS-HEMT) with atomic layer deposited (ALD) Al2O3 gate dielectric. Based on the previous work [Appl. Phys. Lett. 86 (2005) 063501] of Ye et al. By decreeing the thickness of the gate oxide to 3.5nm and optimizing the device fabrication process, the device with maximum transconductance of 150mS/mm is produced and discussed in comparison with the result of 100mS/mm of Ye et al. The corresponding drain current density in the 0.8-μm-gate-length MOS-HEMT is 800mA/mm at the gate bias of 3.0 V. The gate leakage is two orders of magnitude lower than that of the conventional AlGaN/GaN HEMT. The excellent characteristics of this novel MOS-HEMT device structure with ALD Al2O3 gate dielectric are presented.

  4. Resistive switching and synaptic properties of fully atomic layer deposition grown TiN/HfO{sub 2}/TiN devices

    Energy Technology Data Exchange (ETDEWEB)

    Matveyev, Yu.; Zenkevich, A. [Moscow Institute of Physics and Technology, 141700 Moscow Region (Russian Federation); NRNU “Moscow Engineering Physics Institute”, 115409 Moscow (Russian Federation); Egorov, K.; Markeev, A. [Moscow Institute of Physics and Technology, 141700 Moscow Region (Russian Federation)

    2015-01-28

    Recently proposed novel neural network hardware designs imply the use of memristors as electronic synapses in 3D cross-bar architecture. Atomic layer deposition (ALD) is the most feasible technique to fabricate such arrays. In this work, we present the results of the detailed investigation of the gradual resistive switching (memristive) effect in nanometer thick fully ALD grown TiN/HfO{sub 2}/TiN stacks. The modelling of the I-V curves confirms interface limited trap-assisted-tunneling mechanism along the oxygen vacancies in HfO{sub 2} in all conduction states. The resistivity of the stack is found to critically depend upon the distance from the interface to the first trap in HfO{sub 2}. The memristive properties of ALD grown TiN/HfO{sub 2}/TiN devices are correlated with the demonstrated neuromorphic functionalities, such as long-term potentiation/depression and spike-timing dependent plasticity, thus indicating their potential as electronic synapses in neuromorphic hardware.

  5. Dynamics of the amino acid and protein metabolism of laying hens after the application of 15N-labelled wheat protein. 3

    International Nuclear Information System (INIS)

    12 colostomized laying hybrids received a ration meeting their requirement of 15N-labelled wheat with a 15N excess (15N') of 14.37 atom-% over 4 days. The 15N' of the total ration amounted to 4.47 atom-%. Each hen consumed 135 mg 15N' per day. On another 4 days the same rations with non-labelled wheat were fed. The 12 hens laid 56 eggs during the 8 days of the experiment. They were divided into egg shell, white and yolk of egg. In addition, the protein of the white and yolk of egg was precipitated with trichloric acetic acid (TCA) and the nitrogen in these fractions was determined. On an average the N quota in the egg shell was 5.3%, in the white of egg 49.1% and in the yolk 45.6%. The atom-% 15N' in the shells of the eggs laid on the first day of the experiment was on an average 0.21, whereas only 0.03 and 0.02 atom-% 15N' resp. could be detected in the white and yolks of the eggs. On the first day after the last 15N application the atom-% 15N' in the egg shell and the white of egg was highest and amounted to 2.33 and 2.43 atom-% resp. The highest value of 1.83 atom-% 15N' in the yolk was ascertained 3 days after the last 15N intake. The mean quota of TCA-precipitable N in the white of egg is 97.6% and in the yolk 94.4% of the respective total N. The atom-% 15N' in the non-protein N compounds was higher than in the protein fractions. (author)

  6. Shell stabilization of super- and hyperheavy nuclei without magic gaps

    International Nuclear Information System (INIS)

    Quantum stabilization of superheavy elements is quantified in terms of the shell-correction energy. We compute the shell correction using self-consistent nuclear models: the non-relativistic Skyrme-Hartree-Fock approach and the relativistic mean-field model, for a number of parametrizations. All the forces applied predict a broad valley of shell stabilization around Z = 120 and N = 172-184. We also predict two broad regions of shell stabilization in hyperheavy elements with N ∼ 258 and N ∼ 308. Due to the large single-particle level density, shell corrections in the superheavy elements differ markedly from those in lighter nuclei. With increasing proton and neutron numbers, the regions of nuclei stabilized by shell effects become poorly localized in particle number, and the familiar pattern of shells separated by magic gaps is basically gone. (orig.)

  7. Induce magnetism into silicene by embedding transition-metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xiaotian; Wang, Lu, E-mail: lwang22@suda.edu.cn, E-mail: yyli@suda.edu.cn; Lin, Haiping; Hou, Tingjun; Li, Youyong, E-mail: lwang22@suda.edu.cn, E-mail: yyli@suda.edu.cn [Institute of Functional Nano and Soft Materials Laboratory (FUNSOM), Jiangsu Key Laboratory for Carbon-based Functional Materials and Devices, and Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215123, Jiangsu (China)

    2015-06-01

    Embedding transition-metal (TM) atoms into nonmagnetic nanomaterials is an efficient way to induce magnetism. Using first-principles calculations, we systematically investigated the structural stability and magnetic properties of TM atoms from Sc to Zn embedded into silicene with single vacancy (SV) and double vacancies (DV). The binding energies for different TM atoms correlate with the TM d-shell electrons. Sc, Ti, and Co show the largest binding energies of as high as 6 eV, while Zn has the lowest binding energy of about 2 eV. The magnetic moment of silicene can be modulated by embedding TM atoms from V to Co, which mainly comes from the 3d orbitals of TM along with partly contributions from the neighboring Si atoms. Fe atom on SV and Mn atom on DV have the largest magnetic moment of more than 3 μB. In addition, we find that doping of N or C atoms on the vacancy site could greatly enhance the magnetism of the systems. Our results provide a promising approach to design silicene-based nanoelectronics and spintronics device.

  8. Shell evolutions and nuclear forces

    International Nuclear Information System (INIS)

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

  9. Shell architecture, element composition, and stable isotope signature of the giant deep-sea oyster Neopycnodonte zibrowii sp. n. from the NE Atlantic

    Science.gov (United States)

    Wisshak, Max; López Correa, Matthias; Gofas, Serge; Salas, Carmen; Taviani, Marco; Jakobsen, Joachim; Freiwald, André

    2009-03-01

    A conspicuous new deep-sea oyster, Neopycnodonte zibrowii sp. n., is described from the Azores Archipelago, where it thrives in 420 to >500 m water depth in high densities concealed underneath overhangs. The new species reaches a relatively large size, which may exceed 20 cm, and is characterised by a very unusual hinge line morphology, straight without a bulge of the resilium. It is compared to the extant Indo-Pacific Empressostrea kostini Huber and Lorenz, 2007 and to the cosmopolitan Neopycnodonte cochlear (Poli, 1791), which has a broadly sympatric distribution at shallower depths in the Azores and Bay of Biscay. Radiocarbon dating reveals that individuals reach an impressive lifespan of one to more than five centuries, placing them among the longest-lived molluscs known to date. They often grow on top of each other, forming stacks that resemble dish piles—an effective measure to optimise shell stability with minimal biomineralisation effort, but with the drawback of increased bioerosion ultimately leading to detachment. Three microstructure types are developed in N. zibrowii: (1) the cross-foliated, calcitic, dorsal to central endostracum and aragonitic ligostracum, (2) the porous vesicular structure of the calcitic ventral endostracum, and (3) the simple prismatic aragonitic myostracum. Foliated and vesicular shell portions show sub-millimetre-scale first-order increments delineated by conchiolin-rich growth breaks (interpreted as reproductive cyclicity), and less distinct second-order increments (interpreted as annual in nature). This pattern is clearly reflected by the elemental composition with the primary growth breaks lacking Ca and Sr but including Mg and S as organic matrix constituents. The second-order increments within the calcite are mirrored by moderately co-varying Mg/Ca and S/Ca fluctuations at stable Sr concentrations, reflecting varying proportions of organic matrix. Dorsal and central endostracum transects reveal a low inter-valve, but

  10. K-shell photoabsorption and photoionisation of trace elements. I. Isoelectronic sequences with electron number 3 ≤N ≤ 11

    Science.gov (United States)

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

    2016-05-01

    Context. With the recent launching of the Hitomi X-ray space observatory, K lines and edges of chemical elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn, can be resolved and used to determine important properties of supernova remnants, galaxy clusters and accreting black holes and neutron stars. Aims: The second stage of the present ongoing project involves the computation of the accurate photoabsorption and photoionisation cross sections required to interpret the X-ray spectra of such trace elements. Methods: Depending on target complexity and computer tractability, ground-state cross sections are computed either with the close-coupling Breit-Pauli R-matrix method or with the autostructure atomic structure code in the isolated-resonance approximation. The intermediate-coupling scheme is used whenever possible. In order to determine a realistic K-edge behaviour for each species, both radiative and Auger dampings are taken into account, the latter being included in the R-matrix formalism by means of an optical potential. Results: Photoabsorption and total and partial photoionisation cross sections are reported for isoelectronic sequences with electron numbers 3 ≤ N ≤ 11. The Na sequence (N = 11) is used to estimate the contributions from configurations with a 2s hole (i.e. [2s]μ) and those containing 3d orbitals, which will be crucial when considering sequences with N > 11. Conclusions: It is found that the [2s]μ configurations must be included in the target representations of species with N ≥ 11 as they contribute significantly to the monotonic background of the cross section between the L and K edges. Configurations with 3d orbitals are important in rendering an accurate L edge, but they can be practically neglected in the K-edge region.

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

    CERN Document Server

    Amusia, M Ya

    2009-01-01

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

  12. Atomic physics with highly charged ions

    International Nuclear Information System (INIS)

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

  13. Atomic physics with highly charged ions

    Energy Technology Data Exchange (ETDEWEB)

    Richard, P.

    1991-08-01

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

  14. Effect of doping of N and B atoms on thermoelectric properties of C60 molecule

    Indian Academy of Sciences (India)

    Mojtaba Yaghobi; Fazel Ardeshir Larijani

    2015-01-01

    In this work, the doping effect on the thermoelectric properties of the C60 molecule (fullerene) was studied by considering inelastic electron–phonon interactions. It is seen that the maximum value of thermal conductance (max) with respect to the molecules are max(C59N) < max(C60) < max(C59B). Also, the oscillatory behaviour of thermal conductance is dramatically dependent on the type of molecules. The values of figure of merit (ZT) against energy and with respect to the type of molecules are between 0.25 × 10−5 and 0.194 × 10−3 and effect of the type of molecules is small on the minimum value of ZT.

  15. N-H···N Hydrogen Bonds Involving Histidine Imidazole Nitrogen Atoms: A New Structural Role for Histidine Residues in Proteins.

    Science.gov (United States)

    Krishna Deepak, R N V; Sankararamakrishnan, Ramasubbu

    2016-07-12

    The amino acid histidine can play a significant role in the structure and function of proteins. Its various functions include enzyme catalysis, metal binding activity, and involvement in cation-π, π-π, salt-bridge, and other types of noncovalent interactions. Although histidine's imidazole nitrogens (Nδ and Nε) are known to participate in hydrogen bond (HB) interactions as an acceptor or a donor, a systematic study of N-H···N HBs with the Nδ/Nε atom as the acceptor has not been conducted. In this study, we have examined two data sets of ultra-high-resolution (data set I) and very high-resolution (data set II) protein structures and identified 28 and 4017 examples of HBs of the N-H···Nδ/Nε type from both data sets involving histidine imidazole nitrogen as the acceptor. In nearly 70% of them, the main-chain N-H bond is the HB donor, and a majority of the examples are from the N-H group separated by two residues (Ni+2-Hi+2) from histidine. Quantum chemical calculations using model compounds were performed with imidazole and N-methylacetamide, and they assumed conformations from 19 examples from data set I with N-H···Nδ/Nε HBs. Basis set superposition error-corrected interaction energies varied from -5.0 to -6.78 kcal/mol. We also found that the imidazole nitrogen of 9% of histidine residues forming N-H···Nδ/Nε interactions in data set II participate in bifurcated HBs. Natural bond orbital analyses of model compounds indicate that the strength of each HB is mutually influenced by the other. Histidine residues involved in Ni+2-Hi+2···Nδi/Nεi HBs are frequently observed in a specific N-terminal capping position giving rise to a novel helix-capping motif. Along with their predominant occurrence in loop segments, we propose a new structural role for histidines in protein structures. PMID:27305350

  16. Effective atomic numbers and electron densities of some biologically important compounds containing H, C, N and O in the energy range 145 1330 keV

    Science.gov (United States)

    Manjunathaguru, V.; Umesh, T. K.

    2006-09-01

    A semi-empirical relation which can be used to determine the total attenuation cross sections of samples containing H, C, N and O in the energy range 145-1332 keV has been derived based on the total attenuation cross sections of several sugars, amino acids and fatty acids. The cross sections have been measured by performing transmission experiments in a narrow beam good geometry set-up by employing a high-resolution hyperpure germanium detector at seven energies of biological importance such as 145.4 keV, 279.2 keV, 514 keV, 661.6 keV, 1115.5 keV, 1173.2 keV and 1332.1 keV. The semi-empirical relation can reproduce the experimental values within 1-2%. The total attenuation cross sections of five elements carbon, aluminium, titanium, copper and zirconium measured in the same experimental set-up at the energies mentioned above have been used in a new matrix method to evaluate the effective atomic numbers and the effective electron densities of samples such as cholesterol, fatty acids, sugars and amino acids containing H, C, N and O atoms from their effective atomic cross sections. The effective atomic cross sections are the total attenuation cross sections divided by the total number of atoms of all types in a particular sample. Further, a quantity called the effective atomic weight was defined as the ratio of the molecular weight of a sample to the total number of atoms of all types in it. The variation of the effective atomic number was systematically studied with respect to the effective atomic weight and a new semi-empirical relation for Zeff has been evolved. It is felt that this relation can be very useful to determine the effective atomic number of any sample having H, C, N and O atoms in the energy range 145-1332 keV irrespective of its chemical structure.

  17. Effects of N2O and O2 addition to nitrogen Townsend dielectric barrier discharges at atmospheric pressure on the absolute ground-state atomic nitrogen density

    KAUST Repository

    Es-sebbar, Et-touhami

    2012-11-27

    Absolute ground-state density of nitrogen atoms N (2p3 4S3/2) in non-equilibrium Townsend dielectric barrier discharges (TDBDs) at atmospheric pressure sustained in N2/N2O and N2/O2 gas mixtures has been measured using Two-photon absorption laser-induced fluorescence (TALIF) spectroscopy. The quantitative measurements have been obtained by TALIF calibration using krypton as a reference gas. We previously reported that the maximum of N (2p3 4S3/2) atom density is around 3 × 1014 cm-3 in pure nitrogen TDBD, and that this maximum depends strongly on the mean energy dissipated in the gas. In the two gas mixtures studied here, results show that the absolute N (2p3 4S3/2) density is strongly affected by the N2O and O2 addition. Indeed, the density still increases exponentially with the energy dissipated in the gas but an increase in N2O and O2 amounts (a few hundreds of ppm) leads to a decrease in nitrogen atom density. No discrepancy in the order of magnitude of N (2p3 4S3/2) density is observed when comparing results obtained in N2/N2O and N2/O2 mixtures. Compared with pure nitrogen, for an energy of ∼90 mJ cm-3, the maximum of N (2p3 4S3/2) density drops by a factor of 3 when 100 ppm of N2O and O2 are added and it reduces by a factor of 5 for 200 ppm, to reach values close to our TALIF detection sensitivity for 400 ppm (1 × 1013 cm -3 at atmospheric pressure). © 2013 IOP Publishing Ltd.

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

    OpenAIRE

    Amusia, M. Ya.

    2009-01-01

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

  19. Nuclear structure of 140Te with N = 88: Structural symmetry and asymmetry in Te isotopes with respect to the double-shell closure Z = 50 and N = 82

    CERN Document Server

    Moon, C -B; Lee, C S; Odahara, A; Lozeva, R; Yagi, A; Browne, F; Nishimura, S; Doornenbal, P; Lorusso, G; Söderström, P -A; Sumikama, T; Watanabe, H; Isobe, T; Baba, H; Sakurai, H; Daido, R; Fang, Y; Nishibata, H; Patel, Z; Rice, S; Sinclair, L; Wu, J; Xu, Z Y; Yokoyama, R; Kubo, T; Inabe, N; Suzuki, H; Fukuda, N; Kameda, D; Takeda, H; Ahn, D S; Murai, D; Garrote, F L Bello; Daugas, J M; Didierjean, F; Ideguchi, E; Ishigaki, T; Jung, H S; Komatsubara, T; Kwon, Y K; Morimoto, S; Niikura, M; Nishizuka, I; Tshoo, K

    2015-01-01

    We study for the first time the internal structure of 140Te through the beta-delayed gamma-ray spectroscopy of 140Sb. The very neutron-rich 140Sb, Z = 51 and N = 89, ions were produced by the in-flight fission of 238U beam on a 9Be target at 345 MeV per nucleon at the Radioactive Ion Beam Factory, RIKEN. The half-life and spin-parity of 140Sb are reported as 124(30) ms and (4-), respectively. In addition to the excited states of 140Te produced by the beta-decay branch, the beta-delayed one-neutron and two-neutron emission branches were also established. By identifying the first 2+ and 4+ excited states of 140Te, we found that Te isotopes persist their vibrator character with E(4+)/E(2+) = 2. We discuss the distinctive features manifest in this region, such as valence neutron symmetry and asymmetry, revealed in pairs of isotopes with the same neutron holes and particles with respect to N = 82.

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

    OpenAIRE

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

    2005-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Yaiza Fernández-García

    2016-06-01

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

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

    Science.gov (United States)

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

    2016-06-01

    Andes virus (ANDV) is a human-pathogenic hantavirus. Hantaviruses presumably initiate their mRNA synthesis by using cap structures derived from host cell mRNAs, a mechanism called cap-snatching. A signature for a cap-snatching endonuclease is present in the N terminus of hantavirus L proteins. In this study, we aimed to solve the atomic structure of the ANDV endonuclease and characterize its biochemical features. However, the wild-type protein was refractory to expression in Escherichia coli, presumably due to toxic enzyme activity. To circumvent this problem, we introduced attenuating mutations in the domain that were previously shown to enhance L protein expression in mammalian cells. Using this approach, 13 mutant proteins encompassing ANDV L protein residues 1-200 were successfully expressed and purified. Protein stability and nuclease activity of the mutants was analyzed and the crystal structure of one mutant was solved to a resolution of 2.4 Å. Shape in solution was determined by small angle X-ray scattering. The ANDV endonuclease showed structural similarities to related enzymes of orthobunya-, arena-, and orthomyxoviruses, but also differences such as elongated shape and positively charged patches surrounding the active site. The enzyme was dependent on manganese, which is bound to the active site, most efficiently cleaved single-stranded RNA substrates, did not cleave DNA, and could be inhibited by known endonuclease inhibitors. The atomic structure in conjunction with stability and activity data for the 13 mutant enzymes facilitated inference of structure-function relationships in the protein. In conclusion, we solved the structure of a hantavirus cap-snatching endonuclease, elucidated its catalytic properties, and present a highly active mutant form, which allows for inhibitor screening. PMID:27300328

  3. Extracting chemical information of free molecules from K-shell double core-hole spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ueda, Kiyoshi, E-mail: ueda@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Takahashi, Osamu [Department of Chemistry, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Interatomic relaxation energy can be extracted from double core-hole spectroscopy. Black-Right-Pointing-Pointer Interatomic relaxation is sensitive to the chemical environment. Black-Right-Pointing-Pointer Interatomic relaxation decreases with the decrease in bond order. Black-Right-Pointing-Pointer Interatomic relaxation decrease with the distance between the two core holes. Black-Right-Pointing-Pointer F substation of H atoms induces the initial bonding shift and less affects the relaxation. -- Abstract: Using density functional theory (DFT) methods, we have calculated ionization potential (IP) for K-shell single core hole (SCH) creation and double ionization potential (DIP) for K-shell double core hole (DCH) creation for XH{sub m}-YH{sub n} (X, Y = C, N, O, F, m,n = 0-3), NX{sub 2}CXO (X = H or F) and C{sub 60}. For these molecules, we estimated the relaxation energies (a measure of the electron density flow to the core-hole site) and the interatomic relaxation energies (a measure of the electron density flow to the two core-hole sites) from the calculated IPs and DIPs. For XH{sub m}-YH{sub n}, we find that the interatomic relaxation energy for the DCH states having two holes at X and Y atoms decreases with the increase in the bond order between X and Y. For NX{sub 2}CXO (X = H or F), we find that the substitution of the hydrogen atoms by the fluorine atoms affects the initial-state-bonding shifts but less influences the relaxation energy. For DCH states having two holes at two carbon atoms in C{sub 60}, we find that the interatomic relaxation energy decreases with the increase in the hole-hole distance.

  4. Fisher Information and Atomic Structure

    CERN Document Server

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

    2013-01-01

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

  5. Extraction of Polyphenols from Cashew Nut Shell

    OpenAIRE

    Mathew Obichukwu EDOGA; Labake FADIPE; Rita Ngozi EDOGA

    2006-01-01

    Cashew nut shell liquid (CNSL) was extracted from cashew nut shell by indirect leaching process using soxhlet extraction equipment. Normal hexane (n-hexane) was used as solvent. The operating conditions for the extraction were 680C and 1 atmosphere in every 100g of cashew nut shell used for the extraction, 35gCNSL was obtained. The CNSL was further separated into cardol, cardanol and anacardic acid (polyphenol) using an amine extractant (alanine) with the aid of shake-out separation equipment...

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

    International Nuclear Information System (INIS)

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

  7. Shell deformation studies using holographic interferometry

    Science.gov (United States)

    Parmerter, R. R.

    1974-01-01

    The buckling of shallow spherical shells under pressure has been the subject of many theoretical and experimental papers. Experimental data above the theoretical buckling load of Huang have given rise to speculation that shallow shell theory may not adequately predict the stability of nonsymmetric modes in higher-rise shells which are normally classified as shallow by the Reissner criterion. This article considers holographic interferometry as a noncontact, high-resolution method of measuring prebuckling deformations. Prebuckling deformations of a lambda = 9, h/b = 0.038 shell are Fourier-analyzed. Buckling is found to occur in an N = 5 mode as predicted by Huang's theory. The N = 4 mode was unusually stable, suggesting that even at this low value of h/b, stabilizing effects may be at work.

  8. Ultra-Thin Atomic Layer Deposited TiN Films: Non-Linear I–V Behaviour and the Importance of Surface Passivation

    NARCIS (Netherlands)

    Van Bui, H.; Aarnink, A.A.I.; Kovalgin, A.Y.; Wolters, R.A.M.

    2011-01-01

    We report the electrical resistivity of atomic layer deposited TiN thin films in the thickness range 2.5-20 nm. The measurements were carried out using the circular transfer length method structures. For the films with thickness in the range of 10-20 nm, the measurements exhibited linear current-vol

  9. Insight into the promotion effect of pre-covered X (C, N and O) atoms on the dissociation of water on Cu(111) surface: A DFT study

    Science.gov (United States)

    Jiang, Zhao; Fang, Tao

    2016-07-01

    Based on the density functional theory together with a periodic model, the adsorption and successive dissociation of water on clean and X (X = C, N and O)-covered Cu(111) surfaces have been investigated systematically. Our results indicate that the doping of carbon, nitrogen and oxygen atoms on the clean Cu(111) surface strengthens the interaction of H2O-surface and weakens the interaction of OH-surface. The corresponding adsorption configurations of adsorbates are slightly changed. Compared to that on clean Cu(111) surface, it is revealed that the doped C, N and O atoms can promote the catalytic activity of H2O dissociation and that the adsorbed C and N atoms are beneficial for the dissociation of OH, namely, the joining of C and N atoms on Cu(111) surfaces improve the catalytic activity and selectivity for H2O complete dissociation. Among four types Cu(111) surfaces, C-covered Cu(111) is the most favorable surface both kinetically and thermodynamically.

  10. Reaction mechanisms of atomic layer deposition of TaN(x) from Ta(NMe(2))(5) precursor and H(2)-based plasmas

    NARCIS (Netherlands)

    Knoops, H. C. M.; Langereis, E.; M. C. M. van de Sanden,; Kessels, W. M. M.

    2012-01-01

    The reaction mechanisms of plasma-assisted atomic layer deposition (ALD) of TaN(x) using Ta(NMe(2))(5) were studied using quadrupole mass spectrometry (QMS). The fact that molecule dissociation and formation in the plasma have to be considered for such ALD processes was illustrated by the observatio

  11. Ru-decorated Pt nanoparticles on N-doped multi-walled carbon nanotubes by atomic layer deposition for direct methanol fuel cells

    DEFF Research Database (Denmark)

    Johansson, Anne-Charlotte Elisabeth Birgitta; Yang, R.B.; Haugshøj, K.B.;

    2013-01-01

    We present atomic layer deposition (ALD) as a new method for the preparation of highly dispersed Ru-decorated Pt nanoparticles for use as catalyst in direct methanol fuel cells (DMFCs). The nanoparticles were deposited onto N-doped multi-walled carbon nanotubes (MWCNTs) at 250 °C using trimethyl...

  12. Engineered inorganic core/shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-10-20

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

  13. Intramolecular bond length dependence of the anisotropic dispersion coefficients for interactions of rare gas atoms with N2, CO, Cl2, HCl and HBr

    Science.gov (United States)

    Hettema, Hinne; Wormer, Paul E. S.; Thakkar, Ajit J.

    Ab initio many body perturbation theory is used to calculate the imaginary frequency multipole polarizabilities of N2, Cl2, CO, HCl and HBr as a function of bond length. These are combined with previously calculated dynamic polarizabilities for rare gas atoms to obtain the intramolecular bond length dependence of the anisotropic dispersion and induction coefficients through R-8 for AB-X (AB = N2, Cl2, CO, HCl, HBr and X = He, Ne, Ar, Kr, Xe) interactions.

  14. Interfacial atomic site characterization by photoelectron diffraction for 4H-AlN/4H-SiC(11\\bar{2}0) heterojunction

    Science.gov (United States)

    Maejima, Naoyuki; Horita, Masahiro; Matsui, Hirosuke; Matsushita, Tomohiro; Daimon, Hiroshi; Matsui, Fumihiko

    2016-08-01

    The interfacial atomic structure of an AlN thin film on a nonpolar 4H-SiC(11\\bar{2}0) substrate grown by atomic Al and N plasma deposition was studied by photoelectron diffraction and spectroscopy. The epitaxial growth of the thin film was confirmed by the comparison of element-specific photoelectron intensity angular distributions (PIADs). Depth profiles were analyzed by angle-resolved constant-final-state-mode X-ray photoelectron spectroscopy (AR-XPS). No polar angular dependence was observed in Al 2p spectra, while an additional intermixing component was found in interface-sensitive N 1s spectra. The site-specific N 1s PIADs for the AlN film and an intermixing component were derived from two N 1s PIADs with different binding energies. We attributed the intermixing component to SiN interfacial layer sites. In order to prevent SiN growth at the interface, we deposited Al on the SiC(11\\bar{2}0) substrate prior to the AlN growth. A significant reduction in the amount of intermixing components at the AlN/SiC interface was confirmed by AR-XPS.

  15. Formulation of insulin-loaded N-trimethyl chitosan microparticles with improved efficacy for inhalation by supercritical fluid assisted atomization.

    Science.gov (United States)

    Shen, Yu-Bin; Du, Zhe; Tang, Chuan; Guan, Yi-Xin; Yao, Shan-Jing

    2016-05-30

    Supercritical fluid assisted atomization introduced by a hydrodynamic cavitation mixer (SAA-HCM) was proposed as a green technique to fabricate insulin-loaded dry powders for inhalation administration. N-trimethyl chitosan (TMC), a polymeric mucoadhesive absorption enhancer, was synthesized and successfully micronized from aqueous solution using SAA-HCM. The prepared well-defined spherical TMC microparticles with preserved structure and thermal stability were potential carriers for delivery of proteins. Then, insulin-loaded TMC microparticles with high loading efficiency were coprecipitated from aqueous solutions using SAA-HCM without use of any organic solvents. The polymer/protein ratio revealed to be a factor influencing the particle morphology, and non-coalescing composite microparticles in amorphous state mainly ranging from 1μm to 5μm could be obtained in this work. Aerodynamic properties were assessed by next generation impactor (NGI) and the mass median aerodynamic diameter (MMAD) lied inside the inhalable range of 1-5μm, while fine particle fraction (FPF) reached above 60%. The structural integrity of encapsulated insulin was confirmed by HPLC, circular dichroism and fluorescence spectroscopy. In vivo study demonstrated that TMC could enhance the absorption and bioavailability of the pulmonarily administered insulin formulation for SD rats. These results suggest that TMC microparticles could be efficiently prepared as a promising vehicle for drug delivery, and SAA-HCM is a promising technique to prepare inhalable polymer/protein composite dry powders. PMID:27034000

  16. Shell-like structures

    CERN Document Server

    Altenbach, Holm

    2011-01-01

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

  17. Treatment surfaces with atomic oxygen excited in dielectric barrier discharge plasma of O2 admixed to N2

    Directory of Open Access Journals (Sweden)

    E. V. Shun'ko

    2012-06-01

    Full Text Available This paper describes the increase in surface energy of substrates by their treatment with gas composition generated in plasmas of DBD (Dielectric Barrier Discharge in O2 admixed with N2. Operating gas dissociation and excitation was occurred in plasmas developed in two types of reactors of capacitively-coupled dielectric barrier configurations: coaxial cylindrical, and flat rectangular. The coaxial cylindrical type comprised an inner cylindrical electrode encapsulated in a ceramic sheath installed coaxially inside a cylindrical ceramic (quartz tube passing through an annular outer electrode. Components of the flat rectangular type were a flat ceramic tube of a narrow rectangular cross section supplied with two flat electrodes mounted against one another outside of the long parallel walls of this tube. The operating gas, mixture of N2 and O2, was flowing in a completely insulated discharge gap formed between insulated electrodes of the devices with an average velocity of gas inlet of about 7 to 9 m/s. Dielectric barrier discharge plasma was excited in the operating gaps with a bipolar pulse voltage of about 6 kV for 2 ms at 50 kHz repetition rate applied to the electrodes of the coaxial device, and of about 14 kV for 7 ms at 30 kHz repetition rate for the flat linear device. A lifetime of excited to the 2s22p4(1S0 state in DBD plasma and streaming to the surfaces with a gas flow atomic oxygen, responsible presumably for treating surfaces, exceeded 10 ms in certain cases, that simplified its separation from DBD plasma and delivery to substrates. As it was found in particular, surfaces of glass and some of polymers revealed significant enhancement in wettability after treatment.

  18. Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH- ṡ (H2O)n=2,3 and OD- ṡ (D2O)n=2,3 clusters

    Science.gov (United States)

    Gorlova, Olga; DePalma, Joseph W.; Wolke, Conrad T.; Brathwaite, Antonio; Odbadrakh, Tuguldur T.; Jordan, Kenneth D.; McCoy, Anne B.; Johnson, Mark A.

    2016-10-01

    We report the isotope-dependent vibrational predissociation spectra of the H2-tagged OH- ṡ (H2O)n=2,3 clusters, from which we determine the strongly coordination-dependent energies of the fundamentals due to the OH groups bound to the ion and the intramolecular bending modes of the water molecules. The HOH bending fundamental is completely missing in the delocalized OH- ṡ (H2O) binary complex but is recovered upon adding the second water molecule, thereby establishing that the dihydrate behaves as a hydroxide ion solvated by two essentially intact water molecules. The energies of the observed OH stretches are in good agreement with the values predicted by Takahashi and co-workers [Phys. Chem. Chem. Phys. 17, 25505 (2015); 15, 114 (2013)] with a theoretical model that treats the strong anharmonicities at play in this system with explicit coupling between the bound OH groups and the O-O stretching modes on an extended potential energy surface. We highlight a surprising similarity between the spectral signatures of OH- ṡ (H2O)3 and the excess proton analogue, H3O+ ṡ (H2O)3, both of which correspond to completed hydration shells around the proton defect. We discuss the origin of the extreme solvatochromicity displayed by both OH- and H+ in the context of the anomalously large "proton polarizabilities" of the H5O2+ and H3O2- binary complexes.

  19. Thermo-responsive and aqueous dispersible ZnO/PNIPAM core/shell nanoparticles

    Science.gov (United States)

    Alem, Halima; Schejn, Aleksandra; Roques-Carmes, Thibault; Ghanbaja, Jaafar; Schneider, Raphaël

    2015-08-01

    In this work, we developed a new process to covalently graft a thermoresponsive polymer on the surface of fluorescent nanocrystals in order to synthesize materials that combine both responsive and fluorescent properties. For the first time, poly(N-isopropylacrylamide) (PNIPAM) was grown by activator regenerated by electron transfer-atom transfer radical polymerization (ARGET-ATRP) from ZnO quantum dots (QDs) by surface-initiated polymerization. This process allowed the formation of fluorescent and responsive ZnO/PNIPAM core/shell QDs while only requiring the use of a ppm amount of copper for the synthesis. The influence of the nature of the silanized layer and the polymerization time on the properties of the final nanomaterials were investigated. Results clearly evidence that both the PNIPAM layer thickness and the temperature affected the luminescence properties of the core/shell nanoparticles, but also that the PNIPAM layer, when it is thick enough, could stabilize the QDs’ optical properties.

  20. Study of the N=28 shell closure by one neutron transfer reaction: astrophysical application and {beta}-{gamma} spectroscopy of neutron rich nuclei around N=32/34 and N=40; Etude de la fermeture de couche N=28 autour du noyau {sub 18}{sup 46}Ar{sub 28} par reaction de transfert d'un neutron: application a l'astrophysique et Spectroscopie {beta}-{gamma} de noyaux riches en neutrons de N=32/34 et N=40

    Energy Technology Data Exchange (ETDEWEB)

    Gaudefroy, L

    2005-09-15

    The study of the N=28 shell closure has been presented as well as its astrophysical implications. Moreover the structure of neutron rich nuclei around N=32/34 and 40 was studied. The N=28 shell closure has been studied trough the one neutron transfer reaction on {sup 44,46}Ar nuclei. Excitation energies of states in {sup 45,47}Ar nuclei have been obtained, as well as their angular momenta and spectroscopic factors. These results were used to show that N=28 is still a good magic number in the argon isotopic chain. We interpreted the evolution of the spin-orbit partner gaps in terms of the tensor monopolar proton-neutron interaction. Thanks to this latter, we showed it is not necessary to summon up a reduction of the intensity of the spin-orbit force in order to explain this evolution in N=29 isotopes from calcium to argon chains. The neutron capture rates on {sup 44,46}Ar have been determined thanks to the results of the transfer reaction. Their influence on the nucleosynthesis of {sup 46,48}Ca was studied. We proposed stellar conditions to account for the abnormal isotopic ratio observed in the Allende meteorite concerning {sup 46,48}Ca isotopes. The beta decay and gamma spectroscopy of neutron rich nuclei in the scandium to cobalt region has been studied. We showed that beta decay process is dominated by the {nu}f{sub 5/2} {yields} {pi}f{sub 7/2} Gamow-Teller transition. Moreover, we demonstrated that the {nu}g{sub 9/2} hinders this process in the studied nuclei, and influences their structure, by implying the existence of isomers. Our results show that N=34 is not a magic number in the titanium chain and the superior ones. (author)

  1. Suppression of Amplitude Decoherence in Arbitrary n-Level Atom in E-Configuration with Bang-Bang Controls

    Institute of Scientific and Technical Information of China (English)

    HE Chun-Lei; WANG Yan-Hui; LIU Xiao-Shu; LONG Gui-Lu

    2008-01-01

    In this paper, we give Bang-Bang (BB) decoupling schemes to suppress the amplitude decoherence in the five-and six-level atom systems in ∑-configuration. We generalize this scheme to the arbitrary level atom system inconfiguration. The corresponding decoupling operators are given explicitly.

  2. Derivation of a poroelastic flexural shell model

    CERN Document Server

    Mikelic, Andro

    2015-01-01

    In this paper we investigate the limit behavior of the solution to quasi-static Biot's equations in thin poroelastic flexural shells as the thickness of the shell tends to zero and extend the results obtained for the poroelastic plate by Marciniak-Czochra and Mikeli\\'c. We choose Terzaghi's time corresponding to the shell thickness and obtain the strong convergence of the three-dimensional solid displacement, fluid pressure and total poroelastic stress to the solution of the new class of shell equations. The derived bending equation is coupled with the pressure equation and it contains the bending moment due to the variation in pore pressure across the shell thickness. The effective pressure equation is parabolic only in the normal direction. As additional terms it contains the time derivative of the middle-surface flexural strain. Derivation of the model presents an extension of the results on the derivation of classical linear elastic shells by Ciarlet and collaborators to the poroelastic shells case. The n...

  3. Effect of surface pretreatment on interfacial chemical bonding states of atomic layer deposited ZrO{sub 2} on AlGaN

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Gang; Arulkumaran, Subramaniam; Ng, Geok Ing; Li, Yang; Ang, Kian Siong [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798, Singapore and CINTRA CNRS/NTU/Thales, UMI 3288, 50 Nanyang Drive, Singapore 637553 (Singapore); Ng, Serene Lay Geok; Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), 5 Engineering Drive 1, Singapore 117608 (Singapore); Liu, Zhi Hong [Singapore-MIT Alliance for Research and Technology, 1 CREATE Way, Singapore 138602 (Singapore)

    2015-09-15

    Atomic layer deposition (ALD) of ZrO{sub 2} on native oxide covered (untreated) and buffered oxide etchant (BOE) treated AlGaN surface was analyzed by utilizing x-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy. Evidenced by Ga–O and Al–O chemical bonds by XPS, parasitic oxidation during deposition is largely enhanced on BOE treated AlGaN surface. Due to the high reactivity of Al atoms, more prominent oxidation of Al atoms is observed, which leads to thicker interfacial layer formed on BOE treated surface. The results suggest that native oxide on AlGaN surface may serve as a protecting layer to inhibit the surface from further parasitic oxidation during ALD. The findings provide important process guidelines for the use of ALD ZrO{sub 2} and its pre-ALD surface treatments for high-k AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors and other related device applications.

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

    International Nuclear Information System (INIS)

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

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

    Science.gov (United States)

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

    2016-01-26

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

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

    Science.gov (United States)

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

    2016-01-26

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

  7. Characterization of the flowing afterglows of an N2 O2 reduced-pressure discharge: setting the operating conditions to achieve a dominant late afterglow and correlating the NOβ UV intensity variation with the N and O atom densities

    Science.gov (United States)

    Boudam, M. K.; Saoudi, B.; Moisan, M.; Ricard, A.

    2007-03-01

    The flowing afterglow of an N2-O2 discharge in the 0.6-10 Torr range is examined in the perspective of achieving sterilization of medical devices (MDs) under conditions ensuring maximum UV intensity with minimum damage to polymer-based MDs. The early afterglow is shown to be responsible for creating strong erosion damage, requiring that the sterilizer be operated in a dominant late-afterglow mode. These two types of afterglow can be characterized by optical emission spectroscopy: the early afterglow is distinguished by an intense emission from the N_{2}^{+} 1st negative system (band head at 391.4 nm) while the late afterglow yields an overpopulation of the v' = 11 ro-vibrational level of the N2(B) state, indicating a reduced contribution from the early afterglow N2 metastable species. We have studied the influence of operating conditions (pressure, O2 content in the N2-O2 mixture, distance of the discharge from the entrance to the afterglow (sterilizer) chamber) in order to achieve a dominant late afterglow that also ensures maximum and almost uniform UV intensity in the sterilization chamber. As far as operating conditions are concerned, moving the plasma source sufficiently far from the chamber entrance is shown to be a practical means for significantly reducing the density of the characteristic species of the early afterglow. Using the NO titration method, we obtain the (absolute) densities of N and O atoms in the afterglow at the NO injection inlet, a few cm before the chamber entrance: the N atom density goes through a maximum at approximately 0.3-0.5% O2 and then decreases, while the O atom density increases regularly with the O2 percentage. The spatial variation of the N atom (relative) density in the chamber is obtained by recording the emission intensity from the 1st positive system at 580 nm: in the 2-5 Torr range, this density is quite uniform everywhere in the chamber. The (relative) densities of N and O atoms in the discharge are determined by using

  8. Thin shell model revisited

    CERN Document Server

    Gao, Sijie

    2014-01-01

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

  9. Atomic Layer Deposition of Gallium Oxide Films as Gate Dielectrics in AlGaN/GaN Metal-Oxide-Semiconductor High-Electron-Mobility Transistors

    Science.gov (United States)

    Shih, Huan-Yu; Chu, Fu-Chuan; Das, Atanu; Lee, Chia-Yu; Chen, Ming-Jang; Lin, Ray-Ming

    2016-04-01

    In this study, films of gallium oxide (Ga2O3) were prepared through remote plasma atomic layer deposition (RP-ALD) using triethylgallium and oxygen plasma. The chemical composition and optical properties of the Ga2O3 thin films were investigated; the saturation growth displayed a linear dependence with respect to the number of ALD cycles. These uniform ALD films exhibited excellent uniformity and smooth Ga2O3-GaN interfaces. An ALD Ga2O3 film was then used as the gate dielectric and surface passivation layer in a metal-oxide-semiconductor high-electron-mobility transistor (MOS-HEMT), which exhibited device performance superior to that of a corresponding conventional Schottky gate HEMT. Under similar bias conditions, the gate leakage currents of the MOS-HEMT were two orders of magnitude lower than those of the conventional HEMT, with the power-added efficiency enhanced by up to 9 %. The subthreshold swing and effective interfacial state density of the MOS-HEMT were 78 mV decade-1 and 3.62 × 1011 eV-1 cm-2, respectively. The direct-current and radio-frequency performances of the MOS-HEMT device were greater than those of the conventional HEMT. In addition, the flicker noise of the MOS-HEMT was lower than that of the conventional HEMT.

  10. Atomic Layer Deposition of Gallium Oxide Films as Gate Dielectrics in AlGaN/GaN Metal-Oxide-Semiconductor High-Electron-Mobility Transistors.

    Science.gov (United States)

    Shih, Huan-Yu; Chu, Fu-Chuan; Das, Atanu; Lee, Chia-Yu; Chen, Ming-Jang; Lin, Ray-Ming

    2016-12-01

    In this study, films of gallium oxide (Ga2O3) were prepared through remote plasma atomic layer deposition (RP-ALD) using triethylgallium and oxygen plasma. The chemical composition and optical properties of the Ga2O3 thin films were investigated; the saturation growth displayed a linear dependence with respect to the number of ALD cycles. These uniform ALD films exhibited excellent uniformity and smooth Ga2O3-GaN interfaces. An ALD Ga2O3 film was then used as the gate dielectric and surface passivation layer in a metal-oxide-semiconductor high-electron-mobility transistor (MOS-HEMT), which exhibited device performance superior to that of a corresponding conventional Schottky gate HEMT. Under similar bias conditions, the gate leakage currents of the MOS-HEMT were two orders of magnitude lower than those of the conventional HEMT, with the power-added efficiency enhanced by up to 9 %. The subthreshold swing and effective interfacial state density of the MOS-HEMT were 78 mV decade(-1) and 3.62 × 10(11) eV(-1) cm(-2), respectively. The direct-current and radio-frequency performances of the MOS-HEMT device were greater than those of the conventional HEMT. In addition, the flicker noise of the MOS-HEMT was lower than that of the conventional HEMT. PMID:27129687

  11. Atomic Layer Deposition of Gallium Oxide Films as Gate Dielectrics in AlGaN/GaN Metal-Oxide-Semiconductor High-Electron-Mobility Transistors.

    Science.gov (United States)

    Shih, Huan-Yu; Chu, Fu-Chuan; Das, Atanu; Lee, Chia-Yu; Chen, Ming-Jang; Lin, Ray-Ming

    2016-12-01

    In this study, films of gallium oxide (Ga2O3) were prepared through remote plasma atomic layer deposition (RP-ALD) using triethylgallium and oxygen plasma. The chemical composition and optical properties of the Ga2O3 thin films were investigated; the saturation growth displayed a linear dependence with respect to the number of ALD cycles. These uniform ALD films exhibited excellent uniformity and smooth Ga2O3-GaN interfaces. An ALD Ga2O3 film was then used as the gate dielectric and surface passivation layer in a metal-oxide-semiconductor high-electron-mobility transistor (MOS-HEMT), which exhibited device performance superior to that of a corresponding conventional Schottky gate HEMT. Under similar bias conditions, the gate leakage currents of the MOS-HEMT were two orders of magnitude lower than those of the conventional HEMT, with the power-added efficiency enhanced by up to 9 %. The subthreshold swing and effective interfacial state density of the MOS-HEMT were 78 mV decade(-1) and 3.62 × 10(11) eV(-1) cm(-2), respectively. The direct-current and radio-frequency performances of the MOS-HEMT device were greater than those of the conventional HEMT. In addition, the flicker noise of the MOS-HEMT was lower than that of the conventional HEMT.

  12. The shell coal gasification process

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-01

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

  13. Fabrication and Characteristics of AIInN/A1N/GaN MOS-HEMTs with Ultra-Thin Atomic Layer Deposited Al2O3 Gate Dielectric

    Institute of Scientific and Technical Information of China (English)

    MAO Wei; BI Zhi-Wei; LIANG Xiao-Zhen; ZHANG Jin-Feng; KUANG Xian-Wei; ZHANG Jin-Cheng; XUE Jun-Shuai; HAO Yao; MA Xiao-Hua; WANG Chong; LIU Hong-Xia; XU Sheng-Rui; YANG Lin-An

    2010-01-01

    @@ Al0.85In0.15N/AlN/GaN metal-oxide-semiconductor high electron mobility transistors(MOS-HEMTs)employing a 3-nm ultra-thin atomic-layer deposited(ALD)Al2O3 gate dielectric layer are reported.Devices with 0.6μm gate lengths exhibit an improved maximum drain current density of 1227mA/mm at a gate bias of 3 V,a peak transconductance of 328 mS/mm,a cutoff frequency fT of 16 GHz,a maximum frequency of oscillation fmax of45 GHz,as well as significant gate leakage suppression in both reverse and forward directions,compared with the conventional Al0.85In0.15N/AlN/GaN HEMT.Negligible C-V hysteresis,together with a smaller pinch-off voltage shift,is observed,demonstrating few bulk traps in the dielectric and high quality of the Al2O3/AlInN interface.It is most notable that not only the transconductance profile of the MOS-HEMT is almost the same as that of the conventional HEMT with a negative shift,but also the peak transconductance of the MOS-HEMT is increased slightly.It is an exciting improvement in the transconductance performance.

  14. Fe L-Shell Density Diagnostics in Theory and Practice

    Energy Technology Data Exchange (ETDEWEB)

    Mauche, C W; Liedahl, D A; Fournier, K B

    2004-12-06

    We provide a discussion of the density and photoexcitation sensitivity of the X-ray spectra of Fe L-shell ions (Fe XVII-Fe XXIV) calculated with the Livermore X-ray Spectral Synthesizer, a suite of IDL codes that calculates spectral models of highly charged ions based primarily on HULLAC atomic data. These models are applicable to collisionally ionized laboratory or cosmic plasmas with electron temperatures T{sub e} {approx} 2-45 MK (0.2-4 keV) and electron densities n{sub e} {approx}> 10{sup 11} cm{sup -3}. Potentially useful density diagnostics are identified for Fe XVII and Fe XIX-Fe XXIII, with the most straightforward being the Fe XVII I(17.10 {angstrom})/I(17.05 {angstrom}) line ratio and the Fe XXII I(11.92 {angstrom})/I(11.77 {angstrom}) line ratio. Applying these models to the Chandra X-ray Observatory High Energy Transmission Grating spectrum of the intermediate polar EX Hya, we find that the strength of all the Fe L-shell lines are consistent with electron densities n{sub e} {approx}> 1 x 10{sup 14} cm{sup -3}. Specifically, from the observed Fe XVII I(17.10{angstrom})/I(17.05{angstrom}) line ratio, we infer an electron density n{sub e} {approx}> 2 x 10{sup 14} cm{sup -3} at the 3{sigma} level, while from the observed Fe XXII I(11.92 {angstrom})/I(11.77 {angstrom}) line ratio, we infer n{sub e} = 1.0{sub -0.5}{sup +2.0} x 10{sup 14} cm{sup -3} at the 1{sigma} level and n{sub e} {approx}> 2 x 10{sup 13} cm{sup -3} at the 3{sigma} level.

  15. New polymer target-shell properties and characterizations

    International Nuclear Information System (INIS)

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

  16. Electrical conductivity in Langmuir-Blodgett films of n-alkyl cyanobiphenyls using current sensing atomic force microscope

    Energy Technology Data Exchange (ETDEWEB)

    Gayathri, H. N.; Suresh, K. A., E-mail: suresh@cnsms.res.in [Centre for Nano and Soft Matter Sciences, P. B. No. 1329, Jalahalli, Bangalore 560013 (India)

    2015-06-28

    We report our studies on the nanoscale electrical conductivity in monolayers of n-alkyl cyanobiphenyl materials deposited on solid surface. Initially, the 8CB, 9CB, and 10CB monolayer films were prepared by the Langmuir technique at air-water interface and characterized by surface manometry and Brewster angle microscopy. The monolayer films were transferred on to solid substrates by the Langmuir-Blodgett (L-B) technique. The 8CB, 9CB, and 10CB monolayer L-B films were deposited on freshly cleaved mica and studied by atomic force microscope (AFM), thereby measuring the film thickness as ∼1.5 nm. The electrical conductivity measurements were carried out on 9CB and 10CB monolayer L-B films deposited onto highly ordered pyrolytic graphite using current sensing AFM. The nanoscale current-voltage (I-V) measurements show a non-linear variation. The nature of the curve indicates electron tunneling to be the mechanism for electrical conduction. Furthermore, analysis of the I-V curve reveals a transition in the electron conduction mechanism from direct tunneling to injection tunneling. From the transition voltage, we have estimated the values of barrier height for 9CB and 10CB to be 0.71 eV and 0.37 eV, respectively. For both 9CB and 10CB, the effective mass of electron was calculated to be 0.021 m{sub e} and 0.065 m{sub e}, respectively. These parameters are important in the design of molecular electronic devices.

  17. Impact of post-deposition annealing on interfacial chemical bonding states between AlGaN and ZrO{sub 2} grown by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Gang; Arulkumaran, Subramaniam; Ng, Geok Ing; Li, Yang; Ang, Kian Siong [Novitas, Nanoelectronics Center of Excellence, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [Novitas, Nanoelectronics Center of Excellence, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); CINTRA CNRS/NTU/Thales, UMI 3288, 50 Nanyang Drive (Singapore); Ng, Serene Lay Geok; Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), 5 Engineering Drive 1, 117608 (Singapore); Liu, Zhi Hong [Singapore-MIT Alliance for Research and Technology, 1 CREATE Way, Singapore 138602 (Singapore)

    2015-03-02

    The effect of post-deposition annealing on chemical bonding states at interface between Al{sub 0.5}Ga{sub 0.5}N and ZrO{sub 2} grown by atomic layer deposition (ALD) is studied by angle-resolved x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy. It has been found that both of Al-O/Al 2p and Ga-O/Ga 3d area ratio decrease at annealing temperatures lower than 500 °C, which could be attributed to “clean up” effect of ALD-ZrO{sub 2} on AlGaN. Compared to Ga spectra, a much larger decrease in Al-O/Al 2p ratio at a smaller take-off angle θ is observed, which indicates higher effectiveness of the passivation of Al-O bond than Ga-O bond through “clean up” effect near the interface. However, degradation of ZrO{sub 2}/AlGaN interface quality due to re-oxidation at higher annealing temperature (>500 °C) is also found. The XPS spectra clearly reveal that Al atoms at ZrO{sub 2}/AlGaN interface are easier to get oxidized as compared with Ga atoms.

  18. Absolute ground-state nitrogen atom density in a N{sub 2}/CH{sub 4} late afterglow: TALIF experiments and modelling studies

    Energy Technology Data Exchange (ETDEWEB)

    Es-sebbar, Et; C-Gazeau, M; Benilan, Y; Jolly, A [LISA, Universites Paris-Est Creteil Val de Marne (UPEC) and Paris Denis Diderot, CNRS-UMR 7583, 61, avenue du General de Gaulle, 94010 Creteil Cedex (France); Pintassilgo, C D, E-mail: essebbar@lisa.univ-paris12.f [Instituto de Plasmas e Fusao Nuclear-Laboratorio Associado, Instituto Superior Tecnico, 1049-001 Lisboa (Portugal)

    2010-08-25

    Following a first study on a late afterglow in flowing pure nitrogen post discharge, we report new two-photon absorption laser-induced fluorescence (TALIF) measurements of the absolute ground-state atomic nitrogen density N({sup 4}S) and investigate the influence of methane introduced downstream from the discharge by varying the CH{sub 4} mixing ratio from 0% up to 50%. The N ({sup 4}S) maximum density is about 2.2 x 10{sup 15} cm{sup -3} in pure N{sub 2} for a residence time of 22 ms and does not change significantly for methane mixing ratio up to {approx}15%, while above, a drastic decrease is observed. The influence of the residence time has been studied. A kinetic model has been developed to determine the elementary processes responsible for the evolution of the N ({sup 4}S) density in N{sub 2}/CH{sub 4} late afterglow. This model shows the same decrease as the experimental results even though absolute density values are always larger by about a factor of 3. In the late afterglow three-body recombination dominates the loss of N ({sup 4}S) atoms whatever the CH{sub 4} mixing ratio. For high CH{sub 4} mixing ratio, the destruction process through collisions with CH{sub 3}, H{sub 2}CN and NH becomes important and is responsible for the observed decrease of the N ({sup 4}S) density.

  19. Theoretical study of heavy-atom tuning of nonlinear optical properties in group 15 derivatives of N,N,N-trimethylglycine (betaine).

    Science.gov (United States)

    Milne, Bruce F; Nogueira, Fernando; Cardoso, Cláudia

    2013-03-14

    Nitrogen is a common structural element in the acceptor moieties of organic donor-acceptor nonlinear optical (NLO) chromophores. In order to assess the effect of substitution with heavier group 15 elements, computational studies of the nonlinear optical properties of betaine derivatives, (CH(3))(3)X(+)CH(2)CO(2)(-) (X = N, P, As, Sb, Bi), have been performed. First hyperpolarisabilities, β(HRS)(-2ω; ω, ω), corresponding to hyper-Rayleigh scattering susceptibilities have been estimated for this series using TDDFT quadratic response calculations including polarisable-continuum method water solvation and show a five-fold increase on going from N to Bi. Differential frequency dispersion effects lead to a gradual increase in this ratio as the wavelength of the incident radiation is increased from 1907 nm to 800 nm. The depolarisation ratio of the NLO response indicates that the change in β is accompanied by a change in the type of chromophore from octupolar (X = N) to a linear donor-acceptor type (X = Bi). The observed increase of the NLO response correlates with the changing electronic configurations of the group 15 elements and alterations in the character of the frontier molecular orbitals. Relativistic effects are found to play an important part in enhancement of the NLO response in the Sb and Bi betaine derivatives. These results suggest that derivatisation of organic molecules that otherwise display small β values with heavy group 15 elements is a useful method for creating enhanced NLO chromophores. PMID:23299281

  20. Iron-embedded C2N monolayer: a promising low-cost and high-activity single-atom catalyst for CO oxidation.

    Science.gov (United States)

    He, B L; Shen, J S; Tian, Z X

    2016-09-21

    An Fe-embedded C2N monolayer as a promising single-atom catalyst for CO oxidation by O2 has been investigated based on first-principles calculations. It is found that the single Fe atom can be strongly trapped in the cavity of the C2N monolayer with a large adsorption energy of 4.55 eV and a high diffusion barrier of at least 3.00 eV to leave the cavity, indicating that Fe should exist in the isolated single-atom form. Due to the localized metal 3d orbitals near the Fermi level, the embedded Fe single-atom catalyst has a high chemical activity for the adsorption of CO and O2 molecules. CO oxidation by O2 on the catalyst would proceed via a two-step mechanism. The first step of the CO oxidation reaction has been studied via the Langmuir-Hinshelwood and Eley-Rideal mechanisms with energy barriers of 0.46 and 0.65 eV, respectively. The second step of the CO oxidation reaction follows the Eley-Rideal mechanism with a much smaller energy barrier of 0.24 eV. For both the steps, the CO2 molecules produced are weakly adsorbed on the substrates, suggesting that the proposed catalyst will not be poisoned by the generated CO2. Our results indicate that the Fe-embedded C2N monolayer is a promising single-atom catalyst for CO oxidation by O2 at low temperatures.